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 Energy =      -0.189556709739 Reaction Coordinate =             -5.97480
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 Energy =      -0.187218082516 Reaction Coordinate =             -4.28360
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 Energy =      -0.177945030064 Reaction Coordinate =             -1.91594
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 Energy =      -0.177182523936 Reaction Coordinate =             -1.80320
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 Energy =      -0.176380615639 Reaction Coordinate =             -1.69046
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 Energy =      -0.175537283027 Reaction Coordinate =             -1.57772
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26
 Energy =      -0.174650197747 Reaction Coordinate =             -1.46499
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26
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 H      0.710673      2.011332     -0.126045    0.00  -0.000011352   0.000005151  -0.000011772
 H     -0.079742      2.920359      1.164805    0.00  -0.000002872   0.000004114  -0.000008426
 H     -2.715087     -0.248492      0.241764    0.00   0.000002342  -0.000004139   0.000007571
 H     -1.017246      0.882394      2.173634    0.00   0.000008390   0.000002295  -0.000002614
 H      0.708008      0.618565      1.905848    0.00   0.000005335   0.000007362  -0.000011528
 H     -0.808217      0.839145     -1.952675    0.00  -0.000019329   0.000003206  -0.000001653
 O     -0.927665     -1.542865      1.445715    0.00   0.000188084   0.000027657  -0.000040808
 C     -1.943627     -1.569856     -1.293092    0.00  -0.000051696  -0.000011610   0.000040695
 H     -2.033967     -2.474728     -0.673345    0.00   0.000003970   0.000000123   0.000002253
 H     -2.830754     -1.513185     -1.931708    0.00  -0.000006997  -0.000004512   0.000011105
 H     -1.070423     -1.712898     -1.941572    0.00  -0.000010153   0.000003044  -0.000001306
 H     -0.121815     -1.991743      1.774219    0.00   0.000014718   0.000006820  -0.000005927
 O      0.470656     -0.973641     -0.289962    0.00   0.000004879   0.000152006  -0.000168083
 O      1.727305     -0.743244      0.351368    0.00   0.000000537  -0.000124091  -0.000092881
 C      2.511158     -0.030905     -0.578682    0.00   0.000102817   0.000007057   0.000105788
 H      2.008695      0.180560     -1.521844    0.00   0.000017147   0.000015739   0.000020364
 O      3.623758      0.234501     -0.203941    0.00   0.000108375  -0.000211058   0.000242697
26
 Energy =      -0.203904003499 Reaction Coordinate =             10.93327
 C     -0.195530      2.033949      0.509541    0.00  -0.000060149   0.000044373  -0.000076818
 C     -1.449705      2.181838     -0.360812    0.00  -0.000129796   0.000005583   0.000022388
 C     -1.660190      0.949095     -1.247115    0.00  -0.000151902   0.000000252   0.000031285
 C     -1.807074     -0.331564     -0.408649    0.00  -0.000035792  -0.000007476   0.000035253
 C     -0.601819     -0.473638      0.558134    0.00   0.000031861   0.000032556  -0.000046363
 C     -0.252580      0.771409      1.372568    0.00   0.000039709   0.000048770  -0.000065650
 H     -2.562249      1.082426     -1.874639    0.00  -0.000015390  -0.000003117   0.000009917
 H     -2.337784      2.342680      0.281323    0.00  -0.000005484  -0.000002762   0.000006514
 H     -1.365456      3.087817     -0.990932    0.00  -0.000017745  -0.000000358   0.000002949
 H      0.707176      2.013338     -0.130809    0.00  -0.000011142   0.000005027  -0.000011241
 H     -0.080729      2.922021      1.161895    0.00  -0.000002932   0.000004006  -0.000008094
 H     -2.714891     -0.250096      0.244989    0.00   0.000002358  -0.000004057   0.000007198
 H     -1.014499      0.883199      2.173032    0.00   0.000008035   0.000002232  -0.000002556
 H      0.710454      0.621179      1.901899    0.00   0.000005005   0.000007203  -0.000011116
 H     -0.814692      0.840379     -1.953806    0.00  -0.000018736   0.000003147  -0.000001484
 O     -0.923319     -1.542254      1.444798    0.00   0.000181605   0.000027181  -0.000040121
 C     -1.945194     -1.570187     -1.291820    0.00  -0.000048115  -0.000011219   0.000038579
 H     -2.032538     -2.475305     -0.671991    0.00   0.000004008   0.000000189   0.000002013
 H     -2.834047     -1.514759     -1.928137    0.00  -0.000006492  -0.000004403   0.000010674
 H     -1.073431     -1.711814     -1.942549    0.00  -0.000009698   0.000002999  -0.000001227
 H     -0.116136     -1.989506      1.772293    0.00   0.000014166   0.000006719  -0.000005701
 O      0.470636     -0.970165     -0.294032    0.00   0.000005748   0.000147487  -0.000160514
 O      1.727336     -0.746227      0.349555    0.00   0.000000233  -0.000117534  -0.000089706
 C      2.513987     -0.030733     -0.575662    0.00   0.000100125   0.000004999   0.000101942
 H      2.013162      0.187241     -1.518194    0.00   0.000016778   0.000014764   0.000019883
 O      3.626822      0.229678     -0.198119    0.00   0.000103740  -0.000206562   0.000231997
26
 Energy =      -0.203921131761 Reaction Coordinate =             11.04602
 C     -0.197439      2.035410      0.507117    0.00  -0.000059295   0.000043226  -0.000073430
 C     -1.453933      2.182007     -0.360123    0.00  -0.000125970   0.000005372   0.000022294
 C     -1.665069      0.949148     -1.246112    0.00  -0.000146434   0.000000217   0.000030526
 C     -1.808226     -0.331848     -0.407535    0.00  -0.000033917  -0.000007247   0.000033688
 C     -0.600764     -0.472515      0.556712    0.00   0.000030631   0.000031754  -0.000044670
 C     -0.251329      0.772960      1.370484    0.00   0.000037415   0.000047540  -0.000063003
 H     -2.568852      1.081431     -1.871370    0.00  -0.000014738  -0.000003063   0.000009637
 H     -2.340624      2.341687      0.284209    0.00  -0.000005288  -0.000002720   0.000006272
 H     -1.372297      3.088181     -0.990302    0.00  -0.000017207  -0.000000402   0.000002994
 H      0.703631      2.015370     -0.135548    0.00  -0.000010921   0.000004900  -0.000010710
 H     -0.081776      2.923703      1.159003    0.00  -0.000002981   0.000003893  -0.000007761
 H     -2.714682     -0.251729      0.248191    0.00   0.000002372  -0.000003969   0.000006823
 H     -1.011784      0.884008      2.172430    0.00   0.000007686   0.000002168  -0.000002497
 H      0.712867      0.623827      1.897960    0.00   0.000004682   0.000007036  -0.000010706
 H     -0.821176      0.841638     -1.954918    0.00  -0.000018134   0.000003081  -0.000001319
 O     -0.918970     -1.541632      1.443865    0.00   0.000175036   0.000026705  -0.000039330
 C     -1.946703     -1.570517     -1.290570    0.00  -0.000044616  -0.000010823   0.000036477
 H     -2.031040     -2.475884     -0.670676    0.00   0.000004033   0.000000256   0.000001779
 H     -2.837267     -1.516348     -1.924595    0.00  -0.000005995  -0.000004290   0.000010240
 H     -1.076377     -1.710706     -1.943532    0.00  -0.000009248   0.000002950  -0.000001146
 H     -0.110456     -1.987226      1.770383    0.00   0.000013609   0.000006604  -0.000005480
 O      0.470636     -0.966669     -0.298068    0.00   0.000006550   0.000142828  -0.000152991
 O      1.727359     -0.749164      0.347746    0.00  -0.000000037  -0.000111143  -0.000086509
 C      2.516832     -0.030617     -0.572654    0.00   0.000097340   0.000003088   0.000098088
 H      2.017674      0.193809     -1.514537    0.00   0.000016393   0.000013813   0.000019403
 O      3.629887      0.224785     -0.192339    0.00   0.000099035  -0.000201773   0.000221329
26
 Energy =       -0.20376392281
 C     -0.224248      2.161261      0.405865    0.00  -0.000054569  -0.000029289  -0.000046826
 C     -1.500562      2.258249     -0.439769    0.00  -0.000002668  -0.000049443  -0.000073826
 C     -1.722841      0.975649     -1.250651    0.00   0.000028206  -0.000012789  -0.000020707
 C     -1.852879     -0.247146     -0.324913    0.00   0.000066272   0.000021303   0.000020671
 C     -0.592784     -0.343541      0.561380    0.00   0.000024401   0.000035186   0.000048561
 C     -0.243632      0.940057      1.329356    0.00  -0.000005874   0.000008997   0.000009265
 H     -2.628976      1.070500     -1.876899    0.00   0.000004855  -0.000003536  -0.000003090
 H     -2.374224      2.455136      0.210705    0.00   0.000002673  -0.000006320  -0.000010115
 H     -1.430855      3.125940     -1.123568    0.00  -0.000004418  -0.000006111  -0.000007903
 H      0.660496      2.103266     -0.261639    0.00  -0.000008464  -0.000000284   0.000000370
 H     -0.094915      3.080598      1.008110    0.00  -0.000007953  -0.000003503  -0.000007485
 H     -2.719423     -0.081250      0.367471    0.00   0.000008190   0.000000682  -0.000001059
 H     -0.984187      1.064903      2.145750    0.00   0.000003054   0.000000541  -0.000002981
 H      0.736631      0.815965      1.833259    0.00  -0.000002569   0.000003479   0.000004044
 H     -0.878464      0.819516     -1.953356    0.00  -0.000000524   0.000000891   0.000001585
 O     -0.696732     -1.380464      1.532494    0.00   0.000085016   0.000102243   0.000123406
 C     -2.105790     -1.523568     -1.122542    0.00   0.000089971   0.000050461   0.000055098
 H     -2.179389     -2.406617     -0.477239    0.00   0.000013215   0.000007318   0.000006255
 H     -3.037448     -1.458256     -1.696239    0.00   0.000009479   0.000001611   0.000000789
 H     -1.294091     -1.719073     -1.842090    0.00   0.000004233   0.000003904   0.000008684
 H     -1.212372     -2.146999      1.195460    0.00   0.000003517  -0.000011398  -0.000006887
 O      0.657266     -0.600564     -0.150709    0.00  -0.000044212   0.000104045   0.000093249
 O      0.605895     -1.889514     -0.740999    0.00  -0.000101957   0.000036175   0.000242781
 C      1.336155     -2.764589      0.094964    0.00  -0.000030375  -0.000055758  -0.000162881
 H      1.762606     -2.294360      0.980177    0.00   0.000002780   0.000013929  -0.000038420
 O      1.368265     -3.905359     -0.290521    0.00  -0.000082279  -0.000212333  -0.000232580
26
 Energy =      -0.203738258145
 C     -0.227806      2.162648      0.406789    0.00  -0.000058207  -0.000030987  -0.000053158
 C     -1.504519      2.256588     -0.438589    0.00  -0.000001303  -0.000053184  -0.000078865
 C     -1.723300      0.973883     -1.250253    0.00   0.000032294  -0.000013003  -0.000021127
 C     -1.850145     -0.249615     -0.325020    0.00   0.000072074   0.000023121   0.000022644
 C     -0.589450     -0.343347      0.560627    0.00   0.000026743   0.000038021   0.000053572
 C     -0.243225      0.940632      1.329292    0.00  -0.000006148   0.000009143   0.000007647
 H     -2.629626      1.066620     -1.876536    0.00   0.000005507  -0.000003644  -0.000003068
 H     -2.378641      2.450632      0.212118    0.00   0.000003071  -0.000006890  -0.000010542
 H     -1.437333      3.124908     -1.121845    0.00  -0.000004302  -0.000006497  -0.000008579
 H      0.656997      2.107891     -0.260922    0.00  -0.000009188  -0.000000120  -0.000000038
 H     -0.101124      3.081866      1.009787    0.00  -0.000008482  -0.000003831  -0.000008484
 H     -2.716815     -0.085842      0.367734    0.00   0.000008902   0.000000811  -0.000000885
 H     -0.983441      1.062852      2.146368    0.00   0.000003384   0.000000375  -0.000003231
 H      0.737797      0.818831      1.832330    0.00  -0.000002926   0.000003548   0.000003983
 H     -0.878449      0.820341     -1.952966    0.00  -0.000000422   0.000001121   0.000001562
 O     -0.690272     -1.381626      1.531081    0.00   0.000098167   0.000108382   0.000137575
 C     -2.100609     -1.526307     -1.122980    0.00   0.000097602   0.000054372   0.000058452
 H     -2.170796     -2.409994     -0.478165    0.00   0.000013827   0.000007853   0.000006882
 H     -3.033183     -1.463256     -1.695436    0.00   0.000010378   0.000001976   0.000000918
 H     -1.289295     -1.719220     -1.843694    0.00   0.000004588   0.000004213   0.000008916
 H     -1.213523     -2.144698      1.198137    0.00   0.000003125  -0.000010813  -0.000006800
 O      0.661313     -0.597297     -0.151015    0.00  -0.000048925   0.000108824   0.000104317
 O      0.612365     -1.884419     -0.744985    0.00  -0.000104631   0.000049338   0.000256420
 C      1.327642     -2.765426      0.097785    0.00  -0.000040992  -0.000060801  -0.000169671
 H      1.747306     -2.299261      0.988415    0.00   0.000002173   0.000009487  -0.000038011
 O      1.355891     -3.905960     -0.288762    0.00  -0.000096307  -0.000230815  -0.000260428
26
 Energy =      -0.203710392673
 C     -0.231371      2.163975      0.407823    0.00  -0.000061538  -0.000032398  -0.000060474
 C     -1.508378      2.254882     -0.437450    0.00   0.000000757  -0.000056933  -0.000083376
 C     -1.723648      0.972070     -1.249883    0.00   0.000037326  -0.000012936  -0.000021013
 C     -1.847411     -0.252089     -0.325130    0.00   0.000078217   0.000025020   0.000024597
 C     -0.586110     -0.343175      0.559856    0.00   0.000029376   0.000040891   0.000058828
 C     -0.242911      0.941134      1.329308    0.00  -0.000006315   0.000009044   0.000004859
 H     -2.630109      1.062715     -1.876274    0.00   0.000006262  -0.000003729  -0.000002940
 H     -2.383014      2.446146      0.213385    0.00   0.000003487  -0.000007525  -0.000010859
 H     -1.443596      3.123800     -1.120185    0.00  -0.000004045  -0.000006848  -0.000009184
 H      0.653560      2.112479     -0.259990    0.00  -0.000009890   0.000000156  -0.000000560
 H     -0.107420      3.083052      1.011611    0.00  -0.000009008  -0.000004161  -0.000009632
 H     -2.714194     -0.090366      0.367983    0.00   0.000009617   0.000000967  -0.000000670
 H     -0.982874      1.060705      2.146980    0.00   0.000003726   0.000000091  -0.000003569
 H      0.738804      0.821623      1.831587    0.00  -0.000003313   0.000003608   0.000003735
 H     -0.878283      0.821069     -1.952533    0.00  -0.000000209   0.000001423   0.000001537
 O     -0.683685     -1.382923      1.529523    0.00   0.000113884   0.000114364   0.000153759
 C     -2.095496     -1.529061     -1.123370    0.00   0.000105634   0.000058372   0.000061039
 H     -2.162376     -2.413339     -0.479006    0.00   0.000014463   0.000008436   0.000007424
 H     -3.028949     -1.468228     -1.694627    0.00   0.000011305   0.000002337   0.000000948
 H     -1.284562     -1.719488     -1.845202    0.00   0.000004994   0.000004493   0.000009075
 H     -1.214430     -2.142516      1.200685    0.00   0.000002779  -0.000010117  -0.000006539
 O      0.665319     -0.593950     -0.151477    0.00  -0.000054951   0.000113156   0.000117091
 O      0.618763     -1.879366     -0.748842    0.00  -0.000107967   0.000062916   0.000270531
 C      1.319332     -2.766024      0.100450    0.00  -0.000053567  -0.000065101  -0.000175440
 H      1.732812     -2.303637      0.995964    0.00   0.000001366   0.000005213  -0.000037108
 O      1.343252     -3.906444     -0.286799    0.00  -0.000112390  -0.000250742  -0.000292060
26
 Energy =      -0.203680139656
 C     -0.234931      2.165224      0.408985    0.00  -0.000064438  -0.000033439  -0.000068892
 C     -1.512101      2.253129     -0.436372    0.00   0.000003656  -0.000060658  -0.000087168
 C     -1.723862      0.970203     -1.249551    0.00   0.000043463  -0.000012526  -0.000020252
 C     -1.844687     -0.254567     -0.325236    0.00   0.000084743   0.000026995   0.000026500
 C     -0.582774     -0.343032      0.559073    0.00   0.000032343   0.000043800   0.000064311
 C     -0.242718      0.941551      1.329423    0.00  -0.000006364   0.000008650   0.000000653
 H     -2.630387      1.058785     -1.876138    0.00   0.000007127  -0.000003789  -0.000002684
 H     -2.387320      2.441702      0.214462    0.00   0.000003914  -0.000008232  -0.000011052
 H     -1.449572      3.122601     -1.118617    0.00  -0.000003633  -0.000007158  -0.000009678
 H      0.650211      2.117000     -0.258805    0.00  -0.000010553   0.000000565  -0.000001209
 H     -0.113796      3.084139      1.013599    0.00  -0.000009518  -0.000004493  -0.000010937
 H     -2.711567     -0.094794      0.368222    0.00   0.000010327   0.000001148  -0.000000418
 H     -0.982541      1.058451      2.147583    0.00   0.000004070  -0.000000338  -0.000004023
 H      0.739608      0.824314      1.831088    0.00  -0.000003728   0.000003670   0.000003259
 H     -0.877930      0.821663     -1.952052    0.00   0.000000142   0.000001804   0.000001520
 O     -0.676961     -1.384382      1.527795    0.00   0.000132489   0.000120111   0.000172174
 C     -2.090487     -1.531838     -1.123690    0.00   0.000114139   0.000062482   0.000062723
 H     -2.154153     -2.416649     -0.479723    0.00   0.000015155   0.000009092   0.000007869
 H     -3.024792     -1.473178     -1.693773    0.00   0.000012271   0.000002686   0.000000838
 H     -1.279935     -1.719896     -1.846606    0.00   0.000005454   0.000004728   0.000009170
 H     -1.215059     -2.140492      1.203053    0.00   0.000002502  -0.000009287  -0.000006066
 O      0.669271     -0.590505     -0.152118    0.00  -0.000062509   0.000116946   0.000131717
 O      0.625067     -1.874345     -0.752579    0.00  -0.000112156   0.000076763   0.000285140
 C      1.311271     -2.766349      0.102948    0.00  -0.000068356  -0.000068483  -0.000179872
 H      1.719267     -2.307426      1.002782    0.00   0.000000331   0.000001275  -0.000035658
 O      1.330333     -3.906781     -0.284604    0.00  -0.000130873  -0.000272314  -0.000327967
26
 Energy =      -0.203647278889
 C     -0.238471      2.166374      0.410289    0.00  -0.000066776  -0.000034031  -0.000078476
 C     -1.515651      2.251323     -0.435375    0.00   0.000007533  -0.000064313  -0.000090050
 C     -1.723917      0.968270     -1.249266    0.00   0.000050849  -0.000011727  -0.000018741
 C     -1.841980     -0.257046     -0.325335    0.00   0.000091703   0.000029058   0.000028328
 C     -0.579450     -0.342926      0.558282    0.00   0.000035663   0.000046756   0.000069958
 C     -0.242668      0.941864      1.329660    0.00  -0.000006260   0.000007905  -0.000005228
 H     -2.630427      1.054832     -1.876147    0.00   0.000008112  -0.000003822  -0.000002286
 H     -2.391534      2.437327      0.215305    0.00   0.000004343  -0.000009023  -0.000011106
 H     -1.455182      3.121295     -1.117174    0.00  -0.000003052  -0.000007418  -0.000010024
 H      0.646983      2.121418     -0.257325    0.00  -0.000011156   0.000001128  -0.000001995
 H     -0.120239      3.085106      1.015761    0.00  -0.000009997  -0.000004830  -0.000012410
 H     -2.708943     -0.099101      0.368448    0.00   0.000011027   0.000001352  -0.000000133
 H     -0.982493      1.056081      2.148171    0.00   0.000004411  -0.000000939  -0.000004616
 H      0.740168      0.826882      1.830885    0.00  -0.000004167   0.000003740   0.000002513
 H     -0.877359      0.822093     -1.951518    0.00   0.000000652   0.000002276   0.000001521
 O     -0.670093     -1.386028      1.525882    0.00   0.000154225   0.000125542   0.000192989
 C     -2.085607     -1.534640     -1.123917    0.00   0.000123220   0.000066732   0.000063425
 H     -2.146135     -2.419925     -0.480285    0.00   0.000015949   0.000009857   0.000008216
 H     -3.020755     -1.478118     -1.692827    0.00   0.000013285   0.000003012   0.000000537
 H     -1.275463     -1.720455     -1.847901    0.00   0.000005960   0.000004899   0.000009226
 H     -1.215371     -2.138667      1.205197    0.00   0.000002329  -0.000008299  -0.000005352
 O      0.673151     -0.586948     -0.152956    0.00  -0.000071802   0.000120109   0.000148309
 O      0.631249     -1.869350     -0.756205    0.00  -0.000117426   0.000090622   0.000300201
 C      1.303500     -2.766369      0.105271    0.00  -0.000085543  -0.000070766  -0.000182586
 H      1.706813     -2.310575      1.008829    0.00  -0.000000957  -0.000002130  -0.000033614
 O      1.317127     -3.906948     -0.282151    0.00  -0.000152124  -0.000295692  -0.000368606
26
 Energy =      -0.203611554336
 C     -0.241974      2.167409      0.411745    0.00  -0.000068402  -0.000034090  -0.000089267
 C     -1.518991      2.249462     -0.434477    0.00   0.000012526  -0.000067836  -0.000091833
 C     -1.723792      0.966266     -1.249033    0.00   0.000059605  -0.000010491  -0.000016387
 C     -1.839303     -0.259522     -0.325425    0.00   0.000099158   0.000031198   0.000030059
 C     -0.576151     -0.342862      0.557489    0.00   0.000039347   0.000049782   0.000075688
 C     -0.242785      0.942060      1.330037    0.00  -0.000005984   0.000006756  -0.000013021
 H     -2.630200      1.050858     -1.876317    0.00   0.000009222  -0.000003825  -0.000001735
 H     -2.395626      2.433047      0.215874    0.00   0.000004766  -0.000009901  -0.000011006
 H     -1.460356      3.119875     -1.115881    0.00  -0.000002294  -0.000007618  -0.000010178
 H      0.643909      2.125696     -0.255523    0.00  -0.000011672   0.000001859  -0.000002926
 H     -0.126731      3.085939      1.018104    0.00  -0.000010429  -0.000005172  -0.000014049
 H     -2.706333     -0.103264      0.368660    0.00   0.000011713   0.000001568   0.000000175
 H     -0.982779      1.053594      2.148738    0.00   0.000004739  -0.000001736  -0.000005374
 H      0.740440      0.829303      1.831030    0.00  -0.000004623   0.000003834   0.000001453
 H     -0.876544      0.822327     -1.950927    0.00   0.000001346   0.000002845   0.000001550
 O     -0.663085     -1.387878      1.523769    0.00   0.000179230   0.000130598   0.000216283
 C     -2.080882     -1.537474     -1.124038    0.00   0.000132992   0.000071183   0.000063143
 H     -2.138311     -2.423170     -0.480666    0.00   0.000016908   0.000010780   0.000008483
 H     -3.016883     -1.483068     -1.691737    0.00   0.000014364   0.000003302  -0.000000017
 H     -1.271192     -1.721165     -1.849098    0.00   0.000006493   0.000004980   0.000009284
 H     -1.215331     -2.137083      1.207070    0.00   0.000002304  -0.000007132  -0.000004362
 O      0.676941     -0.583269     -0.154005    0.00  -0.000083010   0.000122540   0.000166884
 O      0.637273     -1.864377     -0.759729    0.00  -0.000124029   0.000104136   0.000315605
 C      1.296071     -2.766054      0.107406    0.00  -0.000105228  -0.000071772  -0.000183142
 H      1.695601     -2.313037      1.014060    0.00  -0.000002506  -0.000004779  -0.000030926
 O      1.303633     -3.906920     -0.279420    0.00  -0.000176537  -0.000321009  -0.000414384
26
 Energy =      -0.203572673813
 C     -0.245420      2.168310      0.413359    0.00  -0.000069146  -0.000033543  -0.000101257
 C     -1.522087      2.247547     -0.433694    0.00   0.000018766  -0.000071151  -0.000092321
 C     -1.723472      0.964185     -1.248860    0.00   0.000069844  -0.000008777  -0.000013140
 C     -1.836666     -0.261996     -0.325500    0.00   0.000107161   0.000033394   0.000031679
 C     -0.572891     -0.342844      0.556701    0.00   0.000043398   0.000052900   0.000081380
 C     -0.243088      0.942130      1.330570    0.00  -0.000005532   0.000005175  -0.000022959
 H     -2.629688      1.046872     -1.876661    0.00   0.000010461  -0.000003793  -0.000001021
 H     -2.399572      2.428891      0.216138    0.00   0.000005174  -0.000010865  -0.000010743
 H     -1.465029      3.118332     -1.114768    0.00  -0.000001350  -0.000007748  -0.000010099
 H      0.641017      2.129792     -0.253376    0.00  -0.000012074   0.000002776  -0.000004010
 H     -0.133247      3.086624      1.020626    0.00  -0.000010793  -0.000005521  -0.000015839
 H     -2.703750     -0.107268      0.368852    0.00   0.000012388   0.000001785   0.000000498
 H     -0.983438      1.050989      2.149279    0.00   0.000005039  -0.000002754  -0.000006322
 H      0.740393      0.831553      1.831565    0.00  -0.000005088   0.000003961   0.000000040
 H     -0.875468      0.822341     -1.950280    0.00   0.000002238   0.000003510   0.000001617
 O     -0.655946     -1.389939      1.521455    0.00   0.000207495   0.000135259   0.000242035
 C     -2.076326     -1.540342     -1.124036    0.00   0.000143606   0.000075925   0.000061984
 H     -2.130639     -2.426388     -0.480851    0.00   0.000018111   0.000011926   0.000008714
 H     -3.013219     -1.488052     -1.690449    0.00   0.000015538   0.000003540  -0.000000898
 H     -1.267161     -1.722008     -1.850223    0.00   0.000007018   0.000004939   0.000009401
 H     -1.214901     -2.135780      1.208632    0.00   0.000002480  -0.000005775  -0.000003064
 O      0.680622     -0.579464     -0.155270    0.00  -0.000096247   0.000124131   0.000187363
 O      0.643101     -1.859423     -0.763154    0.00  -0.000132261   0.000116818   0.000331161
 C      1.289032     -2.765386      0.109338    0.00  -0.000127420  -0.000071339  -0.000181023
 H      1.685780     -2.314776      1.018429    0.00  -0.000004308  -0.000006443  -0.000027526
 O      1.289859     -3.906671     -0.276397    0.00  -0.000204499  -0.000348331  -0.000465648
26
 Energy =      -0.203530310836
 C     -0.248787      2.169062      0.415129    0.00  -0.000068841  -0.000032312  -0.000114382
 C     -1.524908      2.245581     -0.433040    0.00   0.000026383  -0.000074163  -0.000091342
 C     -1.722946      0.962025     -1.248748    0.00   0.000081654  -0.000006550  -0.000008946
 C     -1.834075     -0.264465     -0.325563    0.00   0.000115801   0.000035632   0.000033183
 C     -0.569685     -0.342877      0.555930    0.00   0.000047788   0.000056168   0.000086861
 C     -0.243592      0.942064      1.331271    0.00  -0.000004878   0.000003113  -0.000035245
 H     -2.628876      1.042879     -1.877182    0.00   0.000011828  -0.000003724  -0.000000144
 H     -2.403343      2.424880      0.216073    0.00   0.000005562  -0.000011914  -0.000010301
 H     -1.469145      3.116660     -1.113853    0.00  -0.000000214  -0.000007797  -0.000009757
 H      0.638334      2.133667     -0.250876    0.00  -0.000012325   0.000003881  -0.000005244
 H     -0.139752      3.087148      1.023317    0.00  -0.000011075  -0.000005875  -0.000017764
 H     -2.701209     -0.111105      0.369019    0.00   0.000013060   0.000001981   0.000000827
 H     -0.984506      1.048274      2.149787    0.00   0.000005298  -0.000004011  -0.000007477
 H      0.739998      0.833615      1.832528    0.00  -0.000005557   0.000004131  -0.000001770
 H     -0.874119      0.822118     -1.949577    0.00   0.000003344   0.000004276   0.000001730
 O     -0.648694     -1.392215      1.518944    0.00   0.000238848   0.000139548   0.000270071
 C     -2.071943     -1.543248     -1.123912    0.00   0.000155239   0.000081075   0.000060170
 H     -2.123054     -2.429590     -0.480837    0.00   0.000019655   0.000013372   0.000008971
 H     -3.009801     -1.493108     -1.688904    0.00   0.000016833   0.000003705  -0.000002185
 H     -1.263411     -1.722953     -1.851315    0.00   0.000007490   0.000004738   0.000009664
 H     -1.214046     -2.134795      1.209848    0.00   0.000002923  -0.000004212  -0.000001422
 O      0.684172     -0.575535     -0.156751    0.00  -0.000111607   0.000124785   0.000209582
 O      0.648688     -1.854494     -0.766486    0.00  -0.000142450   0.000128037   0.000346539
 C      1.282431     -2.764349      0.111050    0.00  -0.000152039  -0.000069310  -0.000175597
 H      1.677489     -2.315774      1.021895    0.00  -0.000006336  -0.000006896  -0.000023331
 O      1.275822     -3.906187     -0.273075    0.00  -0.000236384  -0.000377679  -0.000522692
26
 Energy =      -0.203484107954
 C     -0.252056      2.169653      0.417055    0.00  -0.000067299  -0.000030335  -0.000128532
 C     -1.527428      2.243564     -0.432525    0.00   0.000035497  -0.000076761  -0.000088738
 C     -1.722209      0.959786     -1.248701    0.00   0.000095115  -0.000003773  -0.000003783
 C     -1.831540     -0.266929     -0.325611    0.00   0.000125169   0.000037870   0.000034580
 C     -0.566549     -0.342961      0.555189    0.00   0.000052477   0.000059635   0.000091920
 C     -0.244307      0.941859      1.332153    0.00  -0.000004044   0.000000567  -0.000050067
 H     -2.627761      1.038890     -1.877880    0.00   0.000013326  -0.000003610   0.000000896
 H     -2.406915      2.421038      0.215666    0.00   0.000005929  -0.000013036  -0.000009671
 H     -1.472661      3.114859     -1.113153    0.00   0.000001121  -0.000007752  -0.000009122
 H      0.635885      2.137283     -0.248021    0.00  -0.000012390   0.000005180  -0.000006631
 H     -0.146213      3.087504      1.026161    0.00  -0.000011253  -0.000006236  -0.000019793
 H     -2.698725     -0.114775      0.369151    0.00   0.000013741   0.000002132   0.000001159
 H     -0.986006      1.045461      2.150260    0.00   0.000005492  -0.000005524  -0.000008852
 H      0.739234      0.835473      1.833946    0.00  -0.000006022   0.000004353  -0.000004009
 H     -0.872495      0.821643     -1.948824    0.00   0.000004675   0.000005138   0.000001895
 O     -0.641356     -1.394693      1.516252    0.00   0.000272923   0.000143562   0.000300058
 C     -2.067728     -1.546191     -1.123665    0.00   0.000168089   0.000086776   0.000058060
 H     -2.115456     -2.432789     -0.480637    0.00   0.000021655   0.000015206   0.000009345
 H     -3.006663     -1.498274     -1.687040    0.00   0.000018290   0.000003776  -0.000003958
 H     -1.259971     -1.723952     -1.852431    0.00   0.000007849   0.000004335   0.000010174
 H     -1.212727     -2.134161      1.210689    0.00   0.000003719  -0.000002435   0.000000605
 O      0.687574     -0.571492     -0.158441    0.00  -0.000129089   0.000124395   0.000233217
 O      0.653987     -1.849592     -0.769732    0.00  -0.000154973   0.000137023   0.000361323
 C      1.276317     -2.762937      0.112519    0.00  -0.000178937  -0.000065521  -0.000166084
 H      1.670863     -2.316020      1.024408    0.00  -0.000008545  -0.000005915  -0.000018204
 O      1.261544     -3.905448     -0.269451    0.00  -0.000272512  -0.000409049  -0.000585791
26
 Energy =      -0.203433679869
 C     -0.255206      2.170074      0.419124    0.00  -0.000064326  -0.000027561  -0.000143547
 C     -1.529630      2.241500     -0.432153    0.00   0.000046229  -0.000078826  -0.000084397
 C     -1.721259      0.957469     -1.248717    0.00   0.000110311  -0.000000406   0.000002363
 C     -1.829066     -0.269387     -0.325646    0.00   0.000135387   0.000040050   0.000035901
 C     -0.563497     -0.343096      0.554491    0.00   0.000057425   0.000063371   0.000096283
 C     -0.245239      0.941515      1.333220    0.00  -0.000003065  -0.000002450  -0.000067576
 H     -2.626347      1.034913     -1.878746    0.00   0.000014958  -0.000003446   0.000002100
 H     -2.410264      2.417382      0.214913    0.00   0.000006281  -0.000014217  -0.000008844
 H     -1.475550      3.112927     -1.112677    0.00   0.000002660  -0.000007599  -0.000008175
 H      0.633688      2.140600     -0.244824    0.00  -0.000012231   0.000006665  -0.000008165
 H     -0.152587      3.087690      1.029134    0.00  -0.000011306  -0.000006599  -0.000021882
 H     -2.696313     -0.118289      0.369236    0.00   0.000014452   0.000002203   0.000001490
 H     -0.987952      1.042569      2.150692    0.00   0.000005601  -0.000007304  -0.000010455
 H      0.738086      0.837117      1.835837    0.00  -0.000006478   0.000004630  -0.000006709
 H     -0.870600      0.820912     -1.948025    0.00   0.000006238   0.000006096   0.000002115
 O     -0.633964     -1.397356      1.513404    0.00   0.000309134   0.000147487   0.000331434
 C     -2.063665     -1.549171     -1.123309    0.00   0.000182391   0.000093169   0.000056148
 H     -2.107729     -2.435998     -0.480277    0.00   0.000024219   0.000017507   0.000009943
 H     -3.003827     -1.503599     -1.684805    0.00   0.000019950   0.000003734  -0.000006278
 H     -1.256866     -1.724942     -1.853640    0.00   0.000008037   0.000003693   0.000011043
 H     -1.210905     -2.133913      1.211128    0.00   0.000004971  -0.000000446   0.000003076
 O      0.690809     -0.567345     -0.160323    0.00  -0.000148644   0.000122904   0.000257844
 O      0.658942     -1.844726     -0.772893    0.00  -0.000170267   0.000142849   0.000374955
 C      1.270734     -2.761150      0.113724    0.00  -0.000207924  -0.000059784  -0.000151445
 H      1.666032     -2.315518      1.025915    0.00  -0.000010879  -0.000003260  -0.000011952
 O      1.247051     -3.904445     -0.265529    0.00  -0.000313125  -0.000442460  -0.000655269
26
 Energy =      -0.203378613949
 C     -0.258217      2.170317      0.421323    0.00  -0.000059725  -0.000023960  -0.000159199
 C     -1.531498      2.239390     -0.431925    0.00   0.000058713  -0.000080233  -0.000078277
 C     -1.720099      0.955078     -1.248794    0.00   0.000127323   0.000003590   0.000009520
 C     -1.826654     -0.271843     -0.325671    0.00   0.000146636   0.000042135   0.000037204
 C     -0.560546     -0.343283      0.553854    0.00   0.000062522   0.000067472   0.000099597
 C     -0.246388      0.941036      1.334474    0.00  -0.000001954  -0.000005930  -0.000087889
 H     -2.624639      1.030958     -1.879772    0.00   0.000016722  -0.000003230   0.000003459
 H     -2.413371      2.413916      0.213821    0.00   0.000006636  -0.000015438  -0.000007811
 H     -1.477799      3.110870     -1.112427    0.00   0.000004411  -0.000007331  -0.000006928
 H      0.631757      2.143585     -0.241303    0.00  -0.000011798   0.000008317  -0.000009835
 H     -0.158831      3.087705      1.032206    0.00  -0.000011219  -0.000006959  -0.000023982
 H     -2.693987     -0.121663      0.369259    0.00   0.000015222   0.000002155   0.000001823
 H     -0.990347      1.039619      2.151080    0.00   0.000005602  -0.000009348  -0.000012280
 H      0.736552      0.838541      1.838210    0.00  -0.000006925   0.000004963  -0.000009897
 H     -0.868443      0.819922     -1.947185    0.00   0.000008043   0.000007156   0.000002399
 O     -0.626557     -1.400176      1.510437    0.00   0.000346629   0.000151550   0.000363374
 C     -2.059727     -1.552189     -1.122863    0.00   0.000198395   0.000100363   0.000055069
 H     -2.099748     -2.439233     -0.479796    0.00   0.000027443   0.000020341   0.000010876
 H     -3.001304     -1.509128     -1.682153    0.00   0.000021854   0.000003572  -0.000009176
 H     -1.254105     -1.725862     -1.855013    0.00   0.000008003   0.000002787   0.000012383
 H     -1.208534     -2.134084      1.211143    0.00   0.000006821   0.000001758   0.000006058
 O      0.693861     -0.563116     -0.162375    0.00  -0.000170098   0.000120311   0.000282854
 O      0.663501     -1.839904     -0.775975    0.00  -0.000188851   0.000144444   0.000386820
 C      1.265732     -2.758995      0.114629    0.00  -0.000238766  -0.000051844  -0.000130275
 H      1.663127     -2.314284      1.026350    0.00  -0.000013265   0.000001357  -0.000004295
 O      1.232371     -3.903169     -0.261314    0.00  -0.000358376  -0.000478000  -0.000731591
26
 Energy =      -0.203318465189
 C     -0.261069      2.170377      0.423635    0.00  -0.000053248  -0.000019539  -0.000175220
 C     -1.533027      2.237240     -0.431839    0.00   0.000073079  -0.000080883  -0.000070432
 C     -1.718735      0.952613     -1.248931    0.00   0.000146254   0.000008275   0.000017692
 C     -1.824307     -0.274302     -0.325691    0.00   0.000159078   0.000043985   0.000038601
 C     -0.557711     -0.343517      0.553295    0.00   0.000067780   0.000072013   0.000101477
 C     -0.247751      0.940428      1.335915    0.00  -0.000000766  -0.000009771  -0.000111023
 H     -2.622653      1.027032     -1.880944    0.00   0.000018633  -0.000002948   0.000004990
 H     -2.416219      2.410645      0.212409    0.00   0.000007029  -0.000016672  -0.000006590
 H     -1.479410      3.108691     -1.112396    0.00   0.000006374  -0.000006937  -0.000005396
 H      0.630100      2.146205     -0.237491    0.00  -0.000011054   0.000010110  -0.000011634
 H     -0.164900      3.087555      1.035342    0.00  -0.000010963  -0.000007313  -0.000026017
 H     -2.691764     -0.124924      0.369203    0.00   0.000016084   0.000001943   0.000002158
 H     -0.993187      1.036641      2.151424    0.00   0.000005469  -0.000011655  -0.000014320
 H      0.734632      0.839741      1.841065    0.00  -0.000007353   0.000005348  -0.000013578
 H     -0.866035      0.818680     -1.946310    0.00   0.000010088   0.000008315   0.000002745
 O     -0.619183     -1.403116      1.507398    0.00   0.000384221   0.000156064   0.000394684
 C     -2.055884     -1.555242     -1.122352    0.00   0.000216370   0.000108410   0.000055526
 H     -2.091394     -2.442509     -0.479244    0.00   0.000031373   0.000023719   0.000012282
 H     -2.999089     -1.514899     -1.679061    0.00   0.000024063   0.000003316  -0.000012620
 H     -1.251691     -1.726645     -1.856621    0.00   0.000007713   0.000001596   0.000014267
 H     -1.205559     -2.134709      1.210706    0.00   0.000009461   0.000004123   0.000009651
 O      0.696716     -0.558829     -0.164565    0.00  -0.000193195   0.000116888   0.000307465
 O      0.667603     -1.835135     -0.778983    0.00  -0.000211327   0.000140509   0.000396250
 C      1.261365     -2.756483      0.115194    0.00  -0.000271185  -0.000041341  -0.000100609
 H      1.662300     -2.312338      1.025622    0.00  -0.000015619   0.000008305   0.000005151
 O      1.217527     -3.901619     -0.256811    0.00  -0.000408358  -0.000515862  -0.000815501
26
 Energy =      -0.203252742076
 C     -0.263743      2.170251      0.426034    0.00  -0.000044651  -0.000014365  -0.000191214
 C     -1.534218      2.235049     -0.431885    0.00   0.000089480  -0.000080692  -0.000061074
 C     -1.717175      0.950083     -1.249120    0.00   0.000167186   0.000013678   0.000026946
 C     -1.822023     -0.276768     -0.325714    0.00   0.000172982   0.000045515   0.000040254
 C     -0.555008     -0.343800      0.552834    0.00   0.000073108   0.000077131   0.000101375
 C     -0.249319      0.939702      1.337540    0.00   0.000000546  -0.000013892  -0.000136912
 H     -2.620399      1.023143     -1.882249    0.00   0.000020686  -0.000002603   0.000006685
 H     -2.418793      2.407559      0.210704    0.00   0.000007519  -0.000017887  -0.000005197
 H     -1.480403      3.106401     -1.112568    0.00   0.000008539  -0.000006420  -0.000003655
 H      0.628723      2.148426     -0.233429    0.00  -0.000009944   0.000011988  -0.000013536
 H     -0.170743      3.087243      1.038501    0.00  -0.000010519  -0.000007651  -0.000027918
 H     -2.689657     -0.128099      0.369049    0.00   0.000017075   0.000001521   0.000002510
 H     -0.996451      1.033664      2.151723    0.00   0.000005187  -0.000014184  -0.000016533
 H      0.732339      0.840719      1.844387    0.00  -0.000007760   0.000005770  -0.000017746
 H     -0.863391      0.817198     -1.945406    0.00   0.000012373   0.000009594   0.000003167
 O     -0.611900     -1.406132      1.504342    0.00   0.000420310   0.000161264   0.000423729
 C     -2.052101     -1.558324     -1.121810    0.00   0.000236561   0.000117216   0.000058285
 H     -2.082574     -2.445834     -0.478680    0.00   0.000035975   0.000027602   0.000014282
 H     -2.997160     -1.520937     -1.675530    0.00   0.000026631   0.000003024  -0.000016509
 H     -1.249607     -1.727237     -1.858525    0.00   0.000007160   0.000000131   0.000016713
 H     -1.201909     -2.135831      1.209786    0.00   0.000013156   0.000006563   0.000013968
 O      0.699362     -0.554512     -0.166854    0.00  -0.000217459   0.000113028   0.000330657
 O      0.671193     -1.830429     -0.781923    0.00  -0.000238434   0.000129769   0.000402765
 C      1.257694     -2.753630      0.115365    0.00  -0.000304792  -0.000027791  -0.000059817
 H      1.663719     -2.309707      1.023618    0.00  -0.000017832   0.000018085   0.000016909
 O      1.202548     -3.899796     -0.252024    0.00  -0.000463083  -0.000556396  -0.000908135
26
 Energy =      -0.203180879761
 C     -0.266222      2.169939      0.428495    0.00  -0.000033637  -0.000008590  -0.000206753
 C     -1.535077      2.232817     -0.432051    0.00   0.000108052  -0.000079623  -0.000050604
 C     -1.715428      0.947493     -1.249361    0.00   0.000190182   0.000019810   0.000037323
 C     -1.819802     -0.279244     -0.325747    0.00   0.000188584   0.000046543   0.000042389
 C     -0.552456     -0.344129      0.552492    0.00   0.000078577   0.000082820   0.000098786
 C     -0.251073      0.938870      1.339337    0.00   0.000002066  -0.000018095  -0.000165275
 H     -2.617898      1.019299     -1.883674    0.00   0.000022898  -0.000002191   0.000008560
 H     -2.421086      2.404636      0.208752    0.00   0.000008187  -0.000019054  -0.000003683
 H     -1.480817      3.104008     -1.112918    0.00   0.000010889  -0.000005784  -0.000001793
 H      0.627622      2.150222     -0.229173    0.00  -0.000008425   0.000013882  -0.000015510
 H     -0.176305      3.086781      1.041633    0.00  -0.000009856  -0.000007968  -0.000029574
 H     -2.687676     -0.131219      0.368778    0.00   0.000018232   0.000000845   0.000002887
 H     -1.000103      1.030720      2.151982    0.00   0.000004759  -0.000016875  -0.000018872
 H      0.729701      0.841479      1.848146    0.00  -0.000008124   0.000006206  -0.000022343
 H     -0.860527      0.815493     -1.944477    0.00   0.000014880   0.000010996   0.000003670
 O     -0.604783     -1.409169      1.501340    0.00   0.000452801   0.000167371   0.000448270
 C     -2.048345     -1.561431     -1.121274    0.00   0.000259177   0.000126516   0.000064051
 H     -2.073242     -2.449213     -0.478166    0.00   0.000041102   0.000031852   0.000016999
 H     -2.995480     -1.527244     -1.671597    0.00   0.000029618   0.000002811  -0.000020648
 H     -1.247825     -1.727603     -1.860762    0.00   0.000006370  -0.000001581   0.000019636
 H     -1.197508     -2.137498      1.208339    0.00   0.000018267   0.000008832   0.000019154
 O      0.701794     -0.550201     -0.169191    0.00  -0.000242174   0.000109768   0.000351106
 O      0.674214     -1.825797     -0.784804    0.00  -0.000270985   0.000110788   0.000406086
 C      1.254801     -2.750455      0.115073    0.00  -0.000338925  -0.000010622  -0.000004373
 H      1.667591     -2.306422      1.020183    0.00  -0.000019737   0.000031287   0.000031706
 O      1.187455     -3.897704     -0.246952    0.00  -0.000522779  -0.000599943  -0.001011193
26
 Energy =      -0.203102195901
 C     -0.268486      2.169440      0.430983    0.00  -0.000019898  -0.000002442  -0.000221295
 C     -1.535623      2.230546     -0.432317    0.00   0.000128904  -0.000077717  -0.000039633
 C     -1.713510      0.944855     -1.249648    0.00   0.000215233   0.000026616   0.000048866
 C     -1.817641     -0.281734     -0.325804    0.00   0.000206138   0.000046876   0.000045295
 C     -0.550071     -0.344507      0.552290    0.00   0.000084283   0.000089071   0.000093079
 C     -0.252985      0.937943      1.341289    0.00   0.000004049  -0.000022153  -0.000195577
 H     -2.615170      1.015513     -1.885205    0.00   0.000025264  -0.000001716   0.000010618
 H     -2.423090      2.401844      0.206607    0.00   0.000009132  -0.000020127  -0.000002128
 H     -1.480716      3.101530     -1.113409    0.00   0.000013380  -0.000005049   0.000000045
 H      0.626790      2.151567     -0.224793    0.00  -0.000006458   0.000015690  -0.000017507
 H     -0.181532      3.086177      1.044689    0.00  -0.000008945  -0.000008251  -0.000030889
 H     -2.685834     -0.134312      0.368368    0.00   0.000019586  -0.000000118   0.000003311
 H     -1.004086      1.027849      2.152209    0.00   0.000004209  -0.000019632  -0.000021250
 H      0.726758      0.842026      1.852293    0.00  -0.000008421   0.000006622  -0.000027272
 H     -0.857465      0.813592     -1.943532    0.00   0.000017582   0.000012531   0.000004264
 O     -0.597925     -1.412167      1.498467    0.00   0.000479140   0.000174329   0.000465521
 C     -2.044597     -1.564554     -1.120786    0.00   0.000284302   0.000135822   0.000073359
 H     -2.063418     -2.452636     -0.477762    0.00   0.000046495   0.000036250   0.000020506
 H     -2.993998     -1.533793     -1.667338    0.00   0.000033062   0.000002814  -0.000024765
 H     -1.246305     -1.727734     -1.863344    0.00   0.000005407  -0.000003486   0.000022863
 H     -1.192271     -2.139761      1.206309    0.00   0.000025198   0.000010594   0.000025327
 O      0.704015     -0.545941     -0.171508    0.00  -0.000266300   0.000108568   0.000367184
 O      0.676621     -1.821249     -0.787634    0.00  -0.000309774   0.000082414   0.000406623
 C      1.252775     -2.746984      0.114236    0.00  -0.000372541   0.000010658   0.000069936
 H      1.674142     -2.302527      1.015134    0.00  -0.000021087   0.000048474   0.000050418
 O      1.172279     -3.895353     -0.241593    0.00  -0.000587941  -0.000646639  -0.001126898
26
 Energy =      -0.203015829559
 C     -0.270520      2.168759      0.433457    0.00  -0.000003150   0.000003758  -0.000234291
 C     -1.535878      2.228237     -0.432657    0.00   0.000152076  -0.000075073  -0.000028950
 C     -1.711440      0.942180     -1.249978    0.00   0.000242216   0.000033944   0.000061548
 C     -1.815541     -0.284238     -0.325897    0.00   0.000225822   0.000046288   0.000049289
 C     -0.547876     -0.344937      0.552246    0.00   0.000090484   0.000095672   0.000083696
 C     -0.255018      0.936938      1.343370    0.00   0.000006877  -0.000025742  -0.000226965
 H     -2.612244      1.011800     -1.886823    0.00   0.000027773  -0.000001184   0.000012847
 H     -2.424809      2.399146      0.204343    0.00   0.000010462  -0.000021064  -0.000000637
 H     -1.480178      3.098988     -1.113994    0.00   0.000015954  -0.000004248   0.000001699
 H      0.626211      2.152445     -0.220374    0.00  -0.000004028   0.000017307  -0.000019462
 H     -0.186361      3.085444      1.047610    0.00  -0.000007758  -0.000008483  -0.000031769
 H     -2.684137     -0.137397      0.367805    0.00   0.000021164  -0.000001383   0.000003804
 H     -1.008319      1.025084      2.152412    0.00   0.000003590  -0.000022320  -0.000023569
 H      0.723574      0.842363      1.856754    0.00  -0.000008601   0.000006977  -0.000032366
 H     -0.854231      0.811531     -1.942578    0.00   0.000020425   0.000014189   0.000004954
 O     -0.591444     -1.415062      1.495808    0.00   0.000496429   0.000181766   0.000472109
 C     -2.040848     -1.567673     -1.120383    0.00   0.000311815   0.000144416   0.000086452
 H     -2.053191     -2.456084     -0.477520    0.00   0.000051809   0.000040496   0.000024797
 H     -2.992654     -1.540521     -1.662869    0.00   0.000036953   0.000003165  -0.000028529
 H     -1.244999     -1.727648     -1.866249    0.00   0.000004379  -0.000005510   0.000026137
 H     -1.186125     -2.142667      1.203643    0.00   0.000034335   0.000011417   0.000032596
 O      0.706030     -0.541782     -0.173725    0.00  -0.000288442   0.000111463   0.000377061
 O      0.678384     -1.816796     -0.790427    0.00  -0.000355406   0.000043983   0.000405500
 C      1.251720     -2.743254      0.112760    0.00  -0.000403954   0.000036217   0.000167833
 H      1.683599     -2.298082      1.008262    0.00  -0.000021490   0.000069941   0.000074132
 O      1.157059     -3.892753     -0.235945    0.00  -0.000659733  -0.000695992  -0.001257915
26
 Energy =      -0.202920671281
 C     -0.272312      2.167901      0.435875    0.00   0.000016794   0.000009679  -0.000245235
 C     -1.535881      2.225897     -0.433044    0.00   0.000177488  -0.000071861  -0.000019445
 C     -1.709248      0.939492     -1.250347    0.00   0.000270831   0.000041542   0.000075207
 C     -1.813503     -0.286747     -0.326039    0.00   0.000247683   0.000044522   0.000054635
 C     -0.545887     -0.345426      0.552369    0.00   0.000097557   0.000102259   0.000070227
 C     -0.257119      0.935869      1.345545    0.00   0.000011133  -0.000028573  -0.000258286
 H     -2.609162      1.008181     -1.888514    0.00   0.000030397  -0.000000611   0.000015221
 H     -2.426246      2.396496      0.202039    0.00   0.000012263  -0.000021831   0.000000662
 H     -1.479306      3.096409     -1.114620    0.00   0.000018534  -0.000003422   0.000003003
 H      0.625862      2.152849     -0.216009    0.00  -0.000001144   0.000018623  -0.000021292
 H     -0.190737      3.084593      1.050341    0.00  -0.000006282  -0.000008646  -0.000032152
 H     -2.682589     -0.140484      0.367080    0.00   0.000022973  -0.000002941   0.000004386
 H     -1.012691      1.022457      2.152609    0.00   0.000002995  -0.000024764  -0.000025716
 H      0.720235      0.842498      1.861427    0.00  -0.000008598   0.000007233  -0.000037402
 H     -0.850867      0.809352     -1.941627    0.00   0.000023342   0.000015946   0.000005733
 O     -0.585470     -1.417788      1.493447    0.00   0.000501836   0.000188798   0.000464421
 C     -2.037110     -1.570770     -1.120102    0.00   0.000341305   0.000151404   0.000103152
 H     -2.042735     -2.459525     -0.477478    0.00   0.000056683   0.000044253   0.000029731
 H     -2.991390     -1.547331     -1.658335    0.00   0.000041206   0.000003925  -0.000031603
 H     -1.243854     -1.727392     -1.869421    0.00   0.000003437  -0.000007559   0.000029183
 H     -1.179036     -2.146237      1.200301    0.00   0.000045886   0.000010965   0.000041019
 O      0.707859     -0.537785     -0.175751    0.00  -0.000306900   0.000120846   0.000378946
 O      0.679507     -1.812446     -0.793198    0.00  -0.000408023  -0.000004273   0.000404784
 C      1.251727     -2.739310      0.110550    0.00  -0.000430800   0.000065505   0.000293733
 H      1.696139     -2.293177      0.999362    0.00  -0.000020382   0.000095333   0.000103999
 O      1.141850     -3.889922     -0.229998    0.00  -0.000740214  -0.000746352  -0.001406912
26
 Energy =      -0.202815312278
 C     -0.273851      2.166882      0.438189    0.00   0.000039960   0.000015015  -0.000253800
 C     -1.535674      2.223534     -0.433447    0.00   0.000204910  -0.000068273  -0.000011957
 C     -1.706971      0.936814     -1.250749    0.00   0.000300618   0.000049059   0.000089486
 C     -1.811534     -0.289250     -0.326241    0.00   0.000271603   0.000041383   0.000061477
 C     -0.544121     -0.345981      0.552664    0.00   0.000106022   0.000108250   0.000052591
 C     -0.259227      0.934750      1.347766    0.00   0.000017461  -0.000030347  -0.000288172
 H     -2.605974      1.004681     -1.890249    0.00   0.000033081  -0.000000012   0.000017674
 H     -2.427416      2.393856      0.199784    0.00   0.000014576  -0.000022395   0.000001642
 H     -1.478207      3.093828     -1.115229    0.00   0.000021037  -0.000002611   0.000003835
 H      0.625714      2.152796     -0.211799    0.00   0.000002135   0.000019564  -0.000022919
 H     -0.194617      3.083639      1.052835    0.00  -0.000004505  -0.000008722  -0.000032029
 H     -2.681188     -0.143567      0.366197    0.00   0.000025010  -0.000004743   0.000005067
 H     -1.017076      1.019995      2.152814    0.00   0.000002531  -0.000026798  -0.000027598
 H      0.716843      0.842440      1.866188    0.00  -0.000008320   0.000007361  -0.000042110
 H     -0.847424      0.807110     -1.940693    0.00   0.000026245   0.000017742   0.000006583
 O     -0.580141     -1.420286      1.491457    0.00   0.000493216   0.000193961   0.000439151
 C     -2.033416     -1.573816     -1.119968    0.00   0.000372043   0.000155855   0.000122823
 H     -2.032282     -2.462920     -0.477652    0.00   0.000060838   0.000047198   0.000035007
 H     -2.990157     -1.554097     -1.653896    0.00   0.000045632   0.000005035  -0.000033712
 H     -1.242820     -1.727033     -1.872774    0.00   0.000002757  -0.000009540   0.000031783
 H     -1.171024     -2.150458      1.196284    0.00   0.000059690   0.000009236   0.000050590
 O      0.709526     -0.534012     -0.177495    0.00  -0.000319916   0.000138996   0.000371401
 O      0.680026     -1.808210     -0.795965    0.00  -0.000467018  -0.000060880   0.000407478
 C      1.252859     -2.735216      0.107531    0.00  -0.000450265   0.000096877   0.000450488
 H      1.711818     -2.287933      0.988270    0.00  -0.000017066   0.000123368   0.000141034
 O      1.126731     -3.886878     -0.223755    0.00  -0.000832274  -0.000794578  -0.001575813
26
 Energy =      -0.202698056168
 C     -0.275140      2.165718      0.440364    0.00   0.000066150   0.000019573  -0.000259897
 C     -1.535305      2.221165     -0.433836    0.00   0.000233945  -0.000064477  -0.000007109
 C     -1.704655      0.934177     -1.251178    0.00   0.000330960   0.000056137   0.000103861
 C     -1.809643     -0.291730     -0.326512    0.00   0.000297306   0.000036816   0.000069723
 C     -0.542585     -0.346610      0.553119    0.00   0.000116368   0.000113017   0.000031098
 C     -0.261280      0.933592      1.349983    0.00   0.000026517  -0.000030935  -0.000315256
 H     -2.602744      1.001326     -1.891999    0.00   0.000035762   0.000000584   0.000020108
 H     -2.428342      2.391202      0.197654    0.00   0.000017384  -0.000022739   0.000002208
 H     -1.476989      3.091277     -1.115774    0.00   0.000023391  -0.000001855   0.000004119
 H      0.625731      2.152325     -0.207829    0.00   0.000005717   0.000020096  -0.000024277
 H     -0.197979      3.082597      1.055062    0.00  -0.000002442  -0.000008695  -0.000031456
 H     -2.679931     -0.146634      0.365171    0.00   0.000027249  -0.000006719   0.000005846
 H     -1.021343      1.017711      2.153043    0.00   0.000002318  -0.000028277  -0.000029156
 H      0.713506      0.842198      1.870903    0.00  -0.000007674   0.000007360  -0.000046243
 H     -0.843960      0.804853     -1.939793    0.00   0.000029057   0.000019507   0.000007472
 O     -0.575567     -1.422510      1.489894    0.00   0.000469734   0.000195355   0.000394115
 C     -2.029812     -1.576787     -1.119994    0.00   0.000403052   0.000156949   0.000144431
 H     -2.022089     -2.466225     -0.478038    0.00   0.000064144   0.000049099   0.000040194
 H     -2.988923     -1.560682     -1.649709    0.00   0.000049953   0.000006300  -0.000034699
 H     -1.241857     -1.726652     -1.876204    0.00   0.000002513  -0.000011357   0.000033842
 H     -1.162184     -2.155262      1.191654    0.00   0.000075175   0.000006707   0.000061187
 O      0.711067     -0.530520     -0.178876    0.00  -0.000325919   0.000167507   0.000353749
 O      0.680020     -1.804094     -0.798749    0.00  -0.000531001  -0.000123202   0.000417181
 C      1.255120     -2.731045      0.103655    0.00  -0.000459815   0.000127631   0.000638222
 H      1.730521     -2.282510      0.974910    0.00  -0.000010874   0.000151917   0.000185750
 O      1.111798     -3.883644     -0.217223    0.00  -0.000938971  -0.000836300  -0.001765013
26
 Energy =      -0.202567026102
 C     -0.276192      2.164435      0.442372    0.00   0.000094930   0.000023294  -0.000263691
 C     -1.534821      2.218803     -0.434187    0.00   0.000264060  -0.000060594  -0.000005201
 C     -1.702343      0.931604     -1.251624    0.00   0.000361222   0.000062485   0.000117684
 C     -1.807836     -0.294171     -0.326851    0.00   0.000324336   0.000030849   0.000079082
 C     -0.541277     -0.347320      0.553711    0.00   0.000129071   0.000116033   0.000006526
 C     -0.263220      0.932407      1.352148    0.00   0.000038824  -0.000030376  -0.000338459
 H     -2.599534      0.998137     -1.893732    0.00   0.000038365   0.000001163   0.000022427
 H     -2.429050      2.388519      0.195708    0.00   0.000020605  -0.000022865   0.000002319
 H     -1.475743      3.088788     -1.116218    0.00   0.000025561  -0.000001174   0.000003860
 H      0.625879      2.151493     -0.204164    0.00   0.000009482   0.000020236  -0.000025333
 H     -0.200830      3.081480      1.057015    0.00  -0.000000115  -0.000008562  -0.000030542
 H     -2.678804     -0.149663      0.364031    0.00   0.000029646  -0.000008773   0.000006689
 H     -1.025373      1.015601      2.153308    0.00   0.000002456  -0.000029119  -0.000030368
 H      0.710324      0.841786      1.875451    0.00  -0.000006587   0.000007244  -0.000049600
 H     -0.840541      0.802631     -1.938941    0.00   0.000031705   0.000021165   0.000008358
 O     -0.571823     -1.424439      1.488779    0.00   0.000432194   0.000191252   0.000328907
 C     -2.026349     -1.579653     -1.120180    0.00   0.000433253   0.000154185   0.000166721
 H     -2.012393     -2.469407     -0.478615    0.00   0.000066610   0.000049828   0.000044869
 H     -2.987674     -1.566963     -1.645895    0.00   0.000053888   0.000007483  -0.000034549
 H     -1.240931     -1.726318     -1.879614    0.00   0.000002831  -0.000012957   0.000035358
 H     -1.152677     -2.160537      1.186532    0.00   0.000091474   0.000004133   0.000072541
 O      0.712513     -0.527350     -0.179842    0.00  -0.000323833   0.000206888   0.000326146
 O      0.679600     -1.800101     -0.801572    0.00  -0.000598032  -0.000188009   0.000437625
 C      1.258449     -2.726872      0.098927    0.00  -0.000458068   0.000154427   0.000853711
 H      1.751943     -2.277077      0.959319    0.00  -0.000001394   0.000178545   0.000237849
 O      1.097149     -3.880236     -0.210419    0.00  -0.001062484  -0.000866782  -0.001972928
26
 Energy =      -0.202420352561
 C     -0.277025      2.163058      0.444202    0.00   0.000125721   0.000026203  -0.000265552
 C     -1.534263      2.216468     -0.434485    0.00   0.000294668  -0.000056684  -0.000006190
 C     -1.700077      0.929115     -1.252076    0.00   0.000390803   0.000067937   0.000130356
 C     -1.806119     -0.296557     -0.327253    0.00   0.000352233   0.000023741   0.000089099
 C     -0.540181     -0.348113      0.554415    0.00   0.000144446   0.000116960  -0.000020132
 C     -0.265009      0.931199      1.354222    0.00   0.000054658  -0.000028854  -0.000357110
 H     -2.596396      0.995129     -1.895419    0.00   0.000040831   0.000001702   0.000024528
 H     -2.429573      2.385810      0.193985    0.00   0.000024120  -0.000022782   0.000001994
 H     -1.474534      3.086381     -1.116541    0.00   0.000027529  -0.000000573   0.000003113
 H      0.626123      2.150370     -0.200834    0.00   0.000013307   0.000020037  -0.000026089
 H     -0.203201      3.080302      1.058705    0.00   0.000002436  -0.000008333  -0.000029420
 H     -2.677793     -0.152635      0.362808    0.00   0.000032149  -0.000010804   0.000007564
 H     -1.029084      1.013649      2.153616    0.00   0.000003015  -0.000029317  -0.000031247
 H      0.707369      0.841215      1.879739    0.00  -0.000005016   0.000007036  -0.000052075
 H     -0.837215      0.800475     -1.938146    0.00   0.000034147   0.000022659   0.000009203
 O     -0.568924     -1.426072      1.488105    0.00   0.000382789   0.000180521   0.000245064
 C     -2.023071     -1.582400     -1.120513    0.00   0.000461689   0.000147390   0.000188502
 H     -2.003375     -2.472443     -0.479351    0.00   0.000068328   0.000049383   0.000048690
 H     -2.986413     -1.572850     -1.642531    0.00   0.000057193   0.000008362  -0.000033363
 H     -1.240030     -1.726089     -1.882921    0.00   0.000003755  -0.000014304   0.000036404
 H     -1.142693     -2.166144      1.181082    0.00   0.000107710   0.000002294   0.000084220
 O      0.713896     -0.524526     -0.180374    0.00  -0.000313193   0.000256495   0.000289569
 O      0.678890     -1.796226     -0.804458    0.00  -0.000666102  -0.000252269   0.000471958
 C      1.262717     -2.722769      0.093395    0.00  -0.000445210   0.000174054   0.001090919
 H      1.775630     -2.271807      0.941634    0.00   0.000011384   0.000201178   0.000296167
 O      1.082864     -3.876669     -0.203362    0.00  -0.001203387  -0.000882032  -0.002196172
26
 Energy =      -0.202256375944
 C     -0.277668      2.161610      0.445858    0.00   0.000157887   0.000028375  -0.000265943
 C     -1.533662      2.214171     -0.434720    0.00   0.000325164  -0.000052775  -0.000009750
 C     -1.697880      0.926719     -1.252525    0.00   0.000419232   0.000072472   0.000141394
 C     -1.804493     -0.298884     -0.327710    0.00   0.000380496   0.000015772   0.000099309
 C     -0.539275     -0.348994      0.555197    0.00   0.000162705   0.000115714  -0.000047824
 C     -0.266619      0.929972      1.356177    0.00   0.000074015  -0.000026642  -0.000370992
 H     -2.593372      0.992299     -1.897037    0.00   0.000043122   0.000002200   0.000026351
 H     -2.429941      2.383083      0.192494    0.00   0.000027797  -0.000022515   0.000001291
 H     -1.473402      3.084069     -1.116737    0.00   0.000029308  -0.000000046   0.000001981
 H      0.626434      2.149024     -0.197842    0.00   0.000017073   0.000019571  -0.000026573
 H     -0.205146      3.079072      1.060160    0.00   0.000005175  -0.000008023  -0.000028208
 H     -2.676878     -0.155536      0.361537    0.00   0.000034705  -0.000012720   0.000008417
 H     -1.032427      1.011830      2.153968    0.00   0.000004028  -0.000028938  -0.000031825
 H      0.704687      0.840503      1.883708    0.00  -0.000002966   0.000006755  -0.000053649
 H     -0.834022      0.798408     -1.937413    0.00   0.000036358   0.000023945   0.000009971
 O     -0.566837     -1.427432      1.487840    0.00   0.000324540   0.000162996   0.000145574
 C     -2.020006     -1.585018     -1.120975    0.00   0.000487616   0.000136742   0.000208801
 H     -1.995137     -2.475325     -0.480213    0.00   0.000069413   0.000047832   0.000051495
 H     -2.985151     -1.578291     -1.639645    0.00   0.000059731   0.000008815  -0.000031309
 H     -1.239141     -1.725998     -1.886067    0.00   0.000005253  -0.000015408   0.000037049
 H     -1.132422     -2.171948      1.175471    0.00   0.000123196   0.000001679   0.000095720
 O      0.715243     -0.522047     -0.180479    0.00  -0.000294037   0.000314876   0.000245406
 O      0.678011     -1.792455     -0.807431    0.00  -0.000733506  -0.000313732   0.000522344
 C      1.267760     -2.718788      0.087135    0.00  -0.000422758   0.000183960   0.001342304
 H      1.801065     -2.266840      0.922065    0.00   0.000027095   0.000218484   0.000358924
 O      1.068999     -3.872945     -0.196070    0.00  -0.001360640  -0.000879389  -0.002430258
26
 Energy =      -0.202073792925
 C     -0.278146      2.160109      0.447353    0.00   0.000190791   0.000029885  -0.000265264
 C     -1.533043      2.211917     -0.434892    0.00   0.000355006  -0.000048886  -0.000015422
 C     -1.695775      0.924421     -1.252965    0.00   0.000446151   0.000076159   0.000150541
 C     -1.802955     -0.301147     -0.328210    0.00   0.000408711   0.000007356   0.000109274
 C     -0.538532     -0.349959      0.556033    0.00   0.000183783   0.000112396  -0.000075616
 C     -0.268046      0.928725      1.358004    0.00   0.000096713  -0.000024107  -0.000380260
 H     -2.590484      0.989641     -1.898571    0.00   0.000045212   0.000002651   0.000027848
 H     -2.430184      2.380350      0.191229    0.00   0.000031509  -0.000022095   0.000000306
 H     -1.472368      3.081850     -1.116812    0.00   0.000030919   0.000000420   0.000000565
 H      0.626793      2.147516     -0.195169    0.00   0.000020703   0.000018906  -0.000026824
 H     -0.206725      3.077796      1.061415    0.00   0.000008047  -0.000007651  -0.000027021
 H     -2.676040     -0.158358      0.360245    0.00   0.000037261  -0.000014459   0.000009223
 H     -1.035390      1.010116      2.154361    0.00   0.000005492  -0.000028065  -0.000032130
 H      0.702295      0.839663      1.887334    0.00  -0.000000487   0.000006414  -0.000054379
 H     -0.830983      0.796436     -1.936740    0.00   0.000038336   0.000025015   0.000010641
 O     -0.565494     -1.428552      1.487938    0.00   0.000260680   0.000139228   0.000034141
 C     -2.017166     -1.587510     -1.121543    0.00   0.000510564   0.000122620   0.000226985
 H     -1.987713     -2.478053     -0.481169    0.00   0.000069956   0.000045307   0.000053249
 H     -2.983899     -1.583270     -1.637228    0.00   0.000061443   0.000008808  -0.000028578
 H     -1.238264     -1.726061     -1.889022    0.00   0.000007234  -0.000016291   0.000037358
 H     -1.122022     -2.177835      1.169855    0.00   0.000137517   0.000002501   0.000106578
 O      0.716576     -0.519901     -0.180188    0.00  -0.000266643   0.000380227   0.000194947
 O      0.677066     -1.788771     -0.810510    0.00  -0.000798989  -0.000371187   0.000589886
 C      1.273406     -2.714965      0.080240    0.00  -0.000392876   0.000182545   0.001600195
 H      1.827737     -2.262288      0.900845    0.00   0.000045142   0.000229901   0.000424142
 O      1.055577     -3.869062     -0.188561    0.00  -0.001532172  -0.000857596  -0.002670383
26
 Energy =      -0.201871715742
 C     -0.278490      2.158571      0.448701    0.00   0.000223871   0.000030782  -0.000263871
 C     -1.532421      2.209712     -0.435003    0.00   0.000383715  -0.000045039  -0.000022689
 C     -1.693765      0.922216     -1.253386    0.00   0.000471304   0.000079113   0.000157690
 C     -1.801497     -0.303348     -0.328741    0.00   0.000436479  -0.000001188   0.000118697
 C     -0.537926     -0.351010      0.556897    0.00   0.000207577   0.000107209  -0.000102824
 C     -0.269290      0.927457      1.359696    0.00   0.000122345  -0.000021531  -0.000385259
 H     -2.587739      0.987141     -1.900014    0.00   0.000047098   0.000003057   0.000029008
 H     -2.430327      2.377624      0.190172    0.00   0.000035149  -0.000021552  -0.000000879
 H     -1.471433      3.079725     -1.116775    0.00   0.000032380   0.000000840  -0.000001030
 H      0.627180      2.145896     -0.192787    0.00   0.000024132   0.000018099  -0.000026885
 H     -0.207995      3.076482      1.062509    0.00   0.000011012  -0.000007237  -0.000025923
 H     -2.675263     -0.161097      0.358959    0.00   0.000039772  -0.000015971   0.000009952
 H     -1.037984      1.008478      2.154788    0.00   0.000007376  -0.000026815  -0.000032200
 H      0.700189      0.838711      1.890618    0.00   0.000002356   0.000006019  -0.000054353
 H     -0.828103      0.794562     -1.936122    0.00   0.000040082   0.000025867   0.000011199
 O     -0.564810     -1.429473      1.488348    0.00   0.000194108   0.000110252  -0.000085541
 C     -2.014553     -1.589879     -1.122197    0.00   0.000530273   0.000105545   0.000242713
 H     -1.981088     -2.480637     -0.482195    0.00   0.000070032   0.000041950   0.000054026
 H     -2.982671     -1.587796     -1.635251    0.00   0.000062347   0.000008371  -0.000025344
 H     -1.237398     -1.726281     -1.891775    0.00   0.000009583  -0.000016985   0.000037373
 H     -1.111614     -2.183718      1.164352    0.00   0.000150496   0.000004717   0.000116435
 O      0.717908     -0.518067     -0.179536    0.00  -0.000231434   0.000450697   0.000139415
 O      0.676134     -1.785157     -0.813715    0.00  -0.000861759  -0.000424194   0.000674433
 C      1.279492     -2.711321      0.072801    0.00  -0.000357733   0.000169122   0.001857906
 H      1.855196     -2.258225      0.878200    0.00   0.000064887   0.000235420   0.000489962
 O      1.042599     -3.865013     -0.180845    0.00  -0.001715447  -0.000816548  -0.002912012
26
 Energy =      -0.201649657719
 C     -0.278723      2.157004      0.449923    0.00   0.000256636   0.000031096  -0.000262012
 C     -1.531804      2.207557     -0.435058    0.00   0.000410884  -0.000041267  -0.000031055
 C     -1.691851      0.920099     -1.253788    0.00   0.000494500   0.000081453   0.000162884
 C     -1.800115     -0.305493     -0.329294    0.00   0.000463457  -0.000009583   0.000127391
 C     -0.537431     -0.352142      0.557775    0.00   0.000233872   0.000100400  -0.000128992
 C     -0.270364      0.926164      1.361256    0.00   0.000150405  -0.000019179  -0.000386443
 H     -2.585141      0.984782     -1.901364    0.00   0.000048773   0.000003421   0.000029841
 H     -2.430389      2.374916      0.189300    0.00   0.000038635  -0.000020913  -0.000002184
 H     -1.470593      3.077686     -1.116644    0.00   0.000033705   0.000001224  -0.000002719
 H      0.627585      2.144202     -0.190662    0.00   0.000027317   0.000017196  -0.000026793
 H     -0.209011      3.075131      1.063472    0.00   0.000014027  -0.000006797  -0.000024954
 H     -2.674531     -0.163756      0.357693    0.00   0.000042199  -0.000017230   0.000010589
 H     -1.040232      1.006890      2.155245    0.00   0.000009632  -0.000025288  -0.000032066
 H      0.698355      0.837660      1.893575    0.00   0.000005483   0.000005573  -0.000053671
 H     -0.825383      0.792779     -1.935558    0.00   0.000041599   0.000026511   0.000011647
 O     -0.564702     -1.430230      1.489024    0.00   0.000127195   0.000077225  -0.000210203
 C     -2.012158     -1.592134     -1.122921    0.00   0.000546640   0.000086082   0.000255869
 H     -1.975219     -2.483091     -0.483272    0.00   0.000069694   0.000037908   0.000053940
 H     -2.981477     -1.591896     -1.633674    0.00   0.000062500   0.000007568  -0.000021754
 H     -1.236547     -1.726647     -1.894329    0.00   0.000012191  -0.000017521   0.000037125
 H     -1.101278     -2.189537      1.159053    0.00   0.000162108   0.000008161   0.000125072
 O      0.719252     -0.516525     -0.178563    0.00  -0.000188819   0.000524620   0.000079731
 O      0.675273     -1.781592     -0.817062    0.00  -0.000921350  -0.000472813   0.000774982
 C      1.285881     -2.707867      0.064902    0.00  -0.000319143   0.000143724   0.002110104
 H      1.883076     -2.254697      0.854335    0.00   0.000085761   0.000235362   0.000554845
 O      1.030051     -3.860788     -0.172933    0.00  -0.001907901  -0.000756933  -0.003151175
26
 Energy =      -0.201407477541
 C     -0.278864      2.155417      0.451035    0.00   0.000288643   0.000030839  -0.000259835
 C     -1.531199      2.205451     -0.435063    0.00   0.000436184  -0.000037614  -0.000040088
 C     -1.690031      0.918062     -1.254166    0.00   0.000515579   0.000083284   0.000166249
 C     -1.798796     -0.307585     -0.329863    0.00   0.000489324  -0.000017595   0.000135232
 C     -0.537027     -0.353354      0.558654    0.00   0.000262281   0.000092238  -0.000153816
 C     -0.271282      0.924847      1.362691    0.00   0.000180384  -0.000017284  -0.000384279
 H     -2.582684      0.982547     -1.902621    0.00   0.000050242   0.000003747   0.000030360
 H     -2.430389      2.372235      0.188590    0.00   0.000041899  -0.000020210  -0.000003538
 H     -1.469840      3.075724     -1.116431    0.00   0.000034902   0.000001578  -0.000004432
 H      0.627998      2.142463     -0.188760    0.00   0.000030247   0.000016229  -0.000026576
 H     -0.209817      3.073747      1.064332    0.00   0.000017045  -0.000006343  -0.000024141
 H     -2.673832     -0.166337      0.356461    0.00   0.000044509  -0.000018230   0.000011134
 H     -1.042162      1.005333      2.155724    0.00   0.000012199  -0.000023578  -0.000031751
 H      0.696775      0.836520      1.896225    0.00   0.000008808   0.000005077  -0.000052447
 H     -0.822815      0.791080     -1.935037    0.00   0.000042896   0.000026964   0.000011984
 O     -0.565088     -1.430857      1.489923    0.00   0.000061727   0.000041218  -0.000337112
 C     -2.009968     -1.594284     -1.123699    0.00   0.000559680   0.000064785   0.000266499
 H     -1.970051     -2.485428     -0.484384    0.00   0.000068983   0.000033327   0.000053116
 H     -2.980322     -1.595598     -1.632453    0.00   0.000061975   0.000006470  -0.000017932
 H     -1.235711     -1.727149     -1.896692    0.00   0.000014952  -0.000017923   0.000036644
 H     -1.091065     -2.195259      1.154014    0.00   0.000172417   0.000012642   0.000132387
 O      0.720613     -0.515251     -0.177305    0.00  -0.000139109   0.000600608   0.000016446
 O      0.674520     -1.778064     -0.820561    0.00  -0.000977475  -0.000517428   0.000890000
 C      1.292457     -2.704604      0.056613    0.00  -0.000278406   0.000106899   0.002352787
 H      1.911080     -2.251736      0.829427    0.00   0.000107294   0.000230226   0.000617620
 O      1.017914     -3.856377     -0.164832    0.00  -0.002107178  -0.000679925  -0.003384513
26
 Energy =      -0.201145311056
 C     -0.278930      2.153816      0.452051    0.00   0.000319533   0.000030020  -0.000257447
 C     -1.530610      2.203394     -0.435024    0.00   0.000459336  -0.000034125  -0.000049419
 C     -1.688301      0.916098     -1.254519    0.00   0.000534420   0.000084685   0.000167950
 C     -1.797537     -0.309629     -0.330440    0.00   0.000513786  -0.000025097   0.000142197
 C     -0.536695     -0.354641      0.559524    0.00   0.000292465   0.000082944  -0.000177157
 C     -0.272056      0.923504      1.364007    0.00   0.000211683  -0.000015978  -0.000379218
 H     -2.580361      0.980422     -1.903788    0.00   0.000051505   0.000004038   0.000030594
 H     -2.430339      2.369589      0.188018    0.00   0.000044895  -0.000019462  -0.000004894
 H     -1.469164      3.073836     -1.116149    0.00   0.000035971   0.000001910  -0.000006111
 H      0.628415      2.140698     -0.187054    0.00   0.000032899   0.000015219  -0.000026261
 H     -0.210452      3.072332      1.065112    0.00   0.000020036  -0.000005889  -0.000023482
 H     -2.673156     -0.168846      0.355269    0.00   0.000046673  -0.000018977   0.000011585
 H     -1.043806      1.003792      2.156219    0.00   0.000015011  -0.000021765  -0.000031282
 H      0.695423      0.835305      1.898592    0.00   0.000012257   0.000004535  -0.000050770
 H     -0.820391      0.789459     -1.934558    0.00   0.000043973   0.000027237   0.000012220
 O     -0.565897     -1.431385      1.491009    0.00  -0.000001059   0.000003174  -0.000464096
 C     -2.007970     -1.596338     -1.124520    0.00   0.000569465   0.000042189   0.000274720
 H     -1.965523     -2.487658     -0.485523    0.00   0.000067933   0.000028335   0.000051678
 H     -2.979213     -1.598937     -1.631546    0.00   0.000060858   0.000005148  -0.000013970
 H     -1.234894     -1.727773     -1.898877    0.00   0.000017787  -0.000018205   0.000035953
 H     -1.081008     -2.200859      1.149277    0.00   0.000181513   0.000017947   0.000138364
 O      0.721997     -0.514229     -0.175791    0.00  -0.000082647   0.000677440  -0.000049958
 O      0.673902     -1.774558     -0.824220    0.00  -0.001030004  -0.000558405   0.001017423
 C      1.299133     -2.701532      0.047996    0.00  -0.000236364   0.000059531   0.002583198
 H      1.938986     -2.249357      0.803619    0.00   0.000129165   0.000220576   0.000677454
 O      1.006163     -3.851769     -0.156551    0.00  -0.002311089  -0.000587026  -0.003609271
26
 Energy =      -0.200863508218
 C     -0.278935      2.152206      0.452985    0.00   0.000348984   0.000028644  -0.000254893
 C     -1.530038      2.201385     -0.434946    0.00   0.000480126  -0.000030840  -0.000058745
 C     -1.686655      0.914203     -1.254849    0.00   0.000550917   0.000085703   0.000168170
 C     -1.796330     -0.311627     -0.331019    0.00   0.000536579  -0.000031990   0.000148277
 C     -0.536421     -0.356004      0.560382    0.00   0.000323973   0.000072725  -0.000198945
 C     -0.272702      0.922135      1.365211    0.00   0.000243755  -0.000015381  -0.000371683
 H     -2.578164      0.978395     -1.904871    0.00   0.000052563   0.000004294   0.000030569
 H     -2.430248      2.366983      0.187567    0.00   0.000047589  -0.000018687  -0.000006210
 H     -1.468554      3.072012     -1.115811    0.00   0.000036911   0.000002220  -0.000007718
 H      0.628829      2.138924     -0.185518    0.00   0.000035271   0.000014185  -0.000025865
 H     -0.210947      3.070888      1.065831    0.00   0.000022963  -0.000005442  -0.000022973
 H     -2.672497     -0.171282      0.354124    0.00   0.000048664  -0.000019482   0.000011947
 H     -1.045195      1.002255      2.156724    0.00   0.000018002  -0.000019910  -0.000030679
 H      0.694279      0.834022      1.900704    0.00   0.000015757   0.000003947  -0.000048731
 H     -0.818101      0.787909     -1.934115    0.00   0.000044837   0.000027346   0.000012363
 O     -0.567067     -1.431836      1.492253    0.00  -0.000060349  -0.000036149  -0.000589434
 C     -2.006149     -1.598302     -1.125373    0.00   0.000576122   0.000018780   0.000280702
 H     -1.961576     -2.489793     -0.486679    0.00   0.000066575   0.000023055   0.000049736
 H     -2.978150     -1.601941     -1.630917    0.00   0.000059232   0.000003664  -0.000009940
 H     -1.234097     -1.728505     -1.900899    0.00   0.000020626  -0.000018376   0.000035077
 H     -1.071122     -2.206326      1.144861    0.00   0.000189496   0.000023890   0.000143043
 O      0.723403     -0.513445     -0.174047    0.00  -0.000019745   0.000754118  -0.000119188
 O      0.673433     -1.771063     -0.828044    0.00  -0.001078851  -0.000596089   0.001155056
 C      1.305837     -2.698651      0.039099    0.00  -0.000193485   0.000002682   0.002799456
 H      1.966623     -2.247569      0.777037    0.00   0.000151152   0.000206987   0.000733795
 O      0.994778     -3.846957     -0.148098    0.00  -0.002517662  -0.000479895  -0.003823186
26
 Energy =      -0.200562580707
 C     -0.278893      2.150591      0.453846    0.00   0.000376724   0.000026727  -0.000252191
 C     -1.529485      2.199424     -0.434838    0.00   0.000498391  -0.000027801  -0.000067828
 C     -1.685086      0.912370     -1.255153    0.00   0.000564985   0.000086371   0.000167097
 C     -1.795168     -0.313584     -0.331597    0.00   0.000557462  -0.000038237   0.000153485
 C     -0.536195     -0.357435      0.561221    0.00   0.000356346   0.000061769  -0.000219176
 C     -0.273233      0.920739      1.366312    0.00   0.000276063  -0.000015566  -0.000362058
 H     -2.576086      0.976455     -1.905872    0.00   0.000053416   0.000004514   0.000030313
 H     -2.430127      2.364424      0.187218    0.00   0.000049956  -0.000017902  -0.000007455
 H     -1.468002      3.070249     -1.115427    0.00   0.000037719   0.000002510  -0.000009223
 H      0.629238      2.137153     -0.184130    0.00   0.000037363   0.000013136  -0.000025402
 H     -0.211328      3.069419      1.066501    0.00   0.000025795  -0.000005009  -0.000022601
 H     -2.671849     -0.173652      0.353026    0.00   0.000050463  -0.000019766   0.000012225
 H     -1.046356      1.000712      2.157233    0.00   0.000021109  -0.000018066  -0.000029962
 H      0.693323      0.832682      1.902580    0.00   0.000019245   0.000003317  -0.000046408
 H     -0.815938      0.786426     -1.933704    0.00   0.000045488   0.000027305   0.000012424
 O     -0.568547     -1.432232      1.493628    0.00  -0.000115663  -0.000076151  -0.000711754
 C     -2.004491     -1.600184     -1.126251    0.00   0.000579802  -0.000004988   0.000284631
 H     -1.958156     -2.491841     -0.487845    0.00   0.000064938   0.000017593   0.000047385
 H     -2.977136     -1.604640     -1.630532    0.00   0.000057178   0.000002072  -0.000005901
 H     -1.233319     -1.729333     -1.902766    0.00   0.000023419  -0.000018435   0.000034037
 H     -1.061414     -2.211658      1.140776    0.00   0.000196450   0.000030311   0.000146491
 O      0.724835     -0.512887     -0.172095    0.00   0.000049242   0.000829763  -0.000190990
 O      0.673121     -1.767574     -0.832032    0.00  -0.001123968  -0.000630696   0.001300607
 C      1.312518     -2.695955      0.029967    0.00  -0.000149956  -0.000062510   0.003000352
 H      1.993867     -2.246378      0.749782    0.00   0.000173124   0.000190008   0.000786306
 O      0.983741     -3.841938     -0.139480    0.00  -0.002725092  -0.000360270  -0.004024404
26
 Energy =      -0.200243170199
 C     -0.278812      2.148973      0.454643    0.00   0.000402523   0.000024287  -0.000249343
 C     -1.528950      2.197509     -0.434702    0.00   0.000514014  -0.000025033  -0.000076476
 C     -1.683592      0.910597     -1.255434    0.00   0.000576559   0.000086700   0.000164897
 C     -1.794049     -0.315500     -0.332172    0.00   0.000576226  -0.000043827   0.000157841
 C     -0.536007     -0.358933      0.562042    0.00   0.000389116   0.000050226  -0.000237862
 C     -0.273661      0.919320      1.367316    0.00   0.000308103  -0.000016566  -0.000350701
 H     -2.574119      0.974594     -1.906798    0.00   0.000054064   0.000004700   0.000029853
 H     -2.429981      2.361916      0.186954    0.00   0.000051983  -0.000017119  -0.000008608
 H     -1.467499      3.068543     -1.115007    0.00   0.000038391   0.000002780  -0.000010604
 H      0.629640      2.135393     -0.182873    0.00   0.000039178   0.000012083  -0.000024886
 H     -0.211612      3.067927      1.067134    0.00   0.000028505  -0.000004596  -0.000022349
 H     -2.671208     -0.175955      0.351979    0.00   0.000052052  -0.000019852   0.000012426
 H     -1.047312      0.999160      2.157742    0.00   0.000024268  -0.000016273  -0.000029148
 H      0.692533      0.831292      1.904244    0.00   0.000022666   0.000002647  -0.000043871
 H     -0.813891      0.785004     -1.933322    0.00   0.000045935   0.000027126   0.000012411
 O     -0.570293     -1.432585      1.495114    0.00  -0.000166747  -0.000116336  -0.000829950
 C     -2.002983     -1.601989     -1.127147    0.00   0.000580681  -0.000028717   0.000286696
 H     -1.955215     -2.493808     -0.489016    0.00   0.000063046   0.000012045   0.000044707
 H     -2.976170     -1.607061     -1.630363    0.00   0.000054774   0.000000419  -0.000001896
 H     -1.232561     -1.730244     -1.904493    0.00   0.000026127  -0.000018381   0.000032855
 H     -1.051886     -2.216853      1.137027    0.00   0.000202445   0.000037063   0.000148794
 O      0.726291     -0.512546     -0.169954    0.00   0.000123874   0.000903590  -0.000265094
 O      0.672968     -1.764083     -0.836184    0.00  -0.001165325  -0.000662304   0.001451780
 C      1.319132     -2.693447      0.020634    0.00  -0.000105803  -0.000134878   0.003185142
 H      2.020628     -2.245788      0.721939    0.00   0.000195011   0.000170154   0.000834798
 O      0.973034     -3.836704     -0.130711    0.00  -0.002931666  -0.000229938  -0.004211412
26
 Energy =      -0.199906017889
 C     -0.278699      2.147357      0.455382    0.00   0.000426196   0.000021359  -0.000246349
 C     -1.528435      2.195642     -0.434544    0.00   0.000526908  -0.000022567  -0.000084546
 C     -1.682167      0.908879     -1.255692    0.00   0.000585611   0.000086695   0.000161722
 C     -1.792968     -0.317377     -0.332740    0.00   0.000592680  -0.000048767   0.000161368
 C     -0.535852     -0.360493      0.562840    0.00   0.000421816   0.000038232  -0.000255056
 C     -0.273996      0.917878      1.368229    0.00   0.000339392  -0.000018382  -0.000337938
 H     -2.572256      0.972805     -1.907652    0.00   0.000054508   0.000004849   0.000029216
 H     -2.429818      2.359464      0.186764    0.00   0.000053663  -0.000016343  -0.000009658
 H     -1.467039      3.066892     -1.114558    0.00   0.000038923   0.000003030  -0.000011841
 H      0.630031      2.133650     -0.181731    0.00   0.000040718   0.000011029  -0.000024327
 H     -0.211819      3.066413      1.067739    0.00   0.000031072  -0.000004207  -0.000022196
 H     -2.670572     -0.178195      0.350982    0.00   0.000053415  -0.000019765   0.000012559
 H     -1.048090      0.997594      2.158248    0.00   0.000027420  -0.000014565  -0.000028255
 H      0.691891      0.829861      1.905712    0.00   0.000025971   0.000001944  -0.000041180
 H     -0.811955      0.783638     -1.932966    0.00   0.000046181   0.000026816   0.000012329
 O     -0.572267     -1.432910      1.496692    0.00  -0.000213511  -0.000156309  -0.000943092
 C     -2.001613     -1.603723     -1.128056    0.00   0.000578960  -0.000052054   0.000287084
 H     -1.952708     -2.495700     -0.490186    0.00   0.000060930   0.000006501   0.000041768
 H     -2.975250     -1.609226     -1.630385    0.00   0.000052089  -0.000001259   0.000002042
 H     -1.231822     -1.731227     -1.906088    0.00   0.000028718  -0.000018202   0.000031555
 H     -1.042536     -2.221913      1.133609    0.00   0.000207532   0.000044017   0.000150034
 O      0.727769     -0.512416     -0.167638    0.00   0.000203633   0.000974859  -0.000341194
 O      0.672975     -1.760589     -0.840496    0.00  -0.001202916  -0.000690828   0.001606355
 C      1.325653     -2.691122      0.011132    0.00  -0.000060950  -0.000213286   0.003353380
 H      2.046840     -2.245802      0.693578    0.00   0.000216795   0.000147886   0.000879196
 O      0.962642     -3.831256     -0.121799    0.00  -0.003135752  -0.000090682  -0.004382978
26
 Energy =      -0.199551949982
 C     -0.278561      2.145744      0.456071    0.00   0.000447572   0.000017977  -0.000243187
 C     -1.527939      2.193823     -0.434368    0.00   0.000537057  -0.000020414  -0.000091929
 C     -1.680807      0.907215     -1.255930    0.00   0.000592107   0.000086352   0.000157715
 C     -1.791922     -0.319215     -0.333301    0.00   0.000606684  -0.000053115   0.000164082
 C     -0.535722     -0.362111      0.563615    0.00   0.000453968   0.000025916  -0.000270801
 C     -0.274252      0.916415      1.369058    0.00   0.000369520  -0.000021018  -0.000324079
 H     -2.570491      0.971081     -1.908440    0.00   0.000054747   0.000004964   0.000028426
 H     -2.429639      2.357068      0.186635    0.00   0.000054992  -0.000015587  -0.000010589
 H     -1.466615      3.065292     -1.114086    0.00   0.000039313   0.000003256  -0.000012936
 H      0.630412      2.131930     -0.180690    0.00   0.000041997   0.000009983  -0.000023729
 H     -0.211962      3.064884      1.068321    0.00   0.000033468  -0.000003844  -0.000022129
 H     -2.669940     -0.180373      0.350034    0.00   0.000054543  -0.000019532   0.000012623
 H     -1.048707      0.996014      2.158745    0.00   0.000030517  -0.000012962  -0.000027296
 H      0.691382      0.828394      1.907006    0.00   0.000029117   0.000001207  -0.000038394
 H     -0.810121      0.782326     -1.932634    0.00   0.000046231   0.000026389   0.000012190
 O     -0.574438     -1.433218      1.498349    0.00  -0.000255967  -0.000195714  -0.001050407
 C     -2.000369     -1.605386     -1.128973    0.00   0.000574816  -0.000074658   0.000285961
 H     -1.950594     -2.497521     -0.491352    0.00   0.000058612   0.000001030   0.000038637
 H     -2.974376     -1.611159     -1.630575    0.00   0.000049196  -0.000002926   0.000005888
 H     -1.231101     -1.732272     -1.907560    0.00   0.000031175  -0.000017900   0.000030149
 H     -1.033363     -2.226841      1.130517    0.00   0.000211750   0.000051056   0.000150299
 O      0.729270     -0.512490     -0.165159    0.00   0.000287913   0.001042914  -0.000418933
 O      0.673139     -1.757087     -0.844960    0.00  -0.001236724  -0.000716087   0.001762226
 C      1.332055     -2.688980      0.001485    0.00  -0.000015281  -0.000296665   0.003504814
 H      2.072460     -2.246426      0.664756    0.00   0.000238468   0.000123633   0.000919488
 O      0.952552     -3.825593     -0.112756    0.00  -0.003335791   0.000055745  -0.004538089
26
 Energy =      -0.199181867703
 C     -0.278406      2.144139      0.456713    0.00   0.000466540   0.000014185  -0.000239854
 C     -1.527462      2.192051     -0.434177    0.00   0.000544439  -0.000018583  -0.000098558
 C     -1.679509      0.905603     -1.256147    0.00   0.000596069   0.000085665   0.000152990
 C     -1.790909     -0.321015     -0.333853    0.00   0.000618103  -0.000056907   0.000165977
 C     -0.535615     -0.363781      0.564367    0.00   0.000485128   0.000013367  -0.000285108
 C     -0.274435      0.914934      1.369808    0.00   0.000398082  -0.000024421  -0.000309402
 H     -2.568820      0.969420     -1.909165    0.00   0.000054786   0.000005039   0.000027508
 H     -2.429451      2.354735      0.186556    0.00   0.000055976  -0.000014855  -0.000011400
 H     -1.466223      3.063742     -1.113600    0.00   0.000039558   0.000003460  -0.000013873
 H      0.630780      2.130237     -0.179741    0.00   0.000043022   0.000008951  -0.000023107
 H     -0.212050      3.063341      1.068887    0.00   0.000035681  -0.000003511  -0.000022121
 H     -2.669311     -0.182489      0.349134    0.00   0.000055428  -0.000019178   0.000012625
 H     -1.049184      0.994419      2.159231    0.00   0.000033503  -0.000011490  -0.000026288
 H      0.690990      0.826899      1.908137    0.00   0.000032071   0.000000446  -0.000035560
 H     -0.808384      0.781066     -1.932325    0.00   0.000046093   0.000025856   0.000011994
 O     -0.576778     -1.433512      1.500067    0.00  -0.000294189  -0.000234253  -0.001151222
 C     -1.999242     -1.606986     -1.129895    0.00   0.000568470  -0.000096270   0.000283495
 H     -1.948837     -2.499273     -0.492509    0.00   0.000056118  -0.000004299   0.000035358
 H     -2.973542     -1.612878     -1.630915    0.00   0.000046152  -0.000004558   0.000009621
 H     -1.230396     -1.733370     -1.908918    0.00   0.000033478  -0.000017454   0.000028662
 H     -1.024363     -2.231640      1.127741    0.00   0.000215128   0.000058081   0.000149679
 O      0.730787     -0.512764     -0.162531    0.00   0.000375985   0.001107150  -0.000497924
 O      0.673457     -1.753576     -0.849567    0.00  -0.001266707  -0.000737820   0.001917416
 C      1.338323     -2.687022     -0.008282    0.00   0.000031327  -0.000383988   0.003639316
 H      2.097458     -2.247664      0.635523    0.00   0.000260031   0.000097765   0.000955706
 O      0.942755     -3.819715     -0.103593    0.00  -0.003530272   0.000207620  -0.004675931
26
 Energy =      -0.198796741374
 C     -0.278236      2.142542      0.457313    0.00   0.000482999   0.000010037  -0.000236343
 C     -1.527005      2.190327     -0.433976    0.00   0.000549093  -0.000017081  -0.000104371
 C     -1.678271      0.904040     -1.256345    0.00   0.000597515   0.000084625   0.000147644
 C     -1.789929     -0.322777     -0.334394    0.00   0.000626851  -0.000060215   0.000167068
 C     -0.535528     -0.365500      0.565097    0.00   0.000514872   0.000000720  -0.000298077
 C     -0.274556      0.913439      1.370482    0.00   0.000424730  -0.000028546  -0.000294177
 H     -2.567236      0.967817     -1.909834    0.00   0.000054626   0.000005082   0.000026481
 H     -2.429257      2.352464      0.186521    0.00   0.000056618  -0.000014147  -0.000012088
 H     -1.465859      3.062239     -1.113102    0.00   0.000039659   0.000003642  -0.000014656
 H      0.631135      2.128573     -0.178874    0.00   0.000043802   0.000007935  -0.000022463
 H     -0.212096      3.061786      1.069439    0.00   0.000037694  -0.000003207  -0.000022153
 H     -2.668685     -0.184545      0.348281    0.00   0.000056064  -0.000018729   0.000012566
 H     -1.049538      0.992808      2.159704    0.00   0.000036337  -0.000010154  -0.000025245
 H      0.690702      0.825381      1.909123    0.00   0.000034804  -0.000000336  -0.000032720
 H     -0.806738      0.779853     -1.932037    0.00   0.000045777   0.000025222   0.000011748
 O     -0.579265     -1.433803      1.501838    0.00  -0.000328285  -0.000271644  -0.001244926
 C     -1.998222     -1.608523     -1.130817    0.00   0.000560118  -0.000116630   0.000279839
 H     -1.947405     -2.500959     -0.493655    0.00   0.000053472  -0.000009433   0.000031981
 H     -2.972749     -1.614403     -1.631388    0.00   0.000043014  -0.000006131   0.000013227
 H     -1.229703     -1.734514     -1.910167    0.00   0.000035620  -0.000016866   0.000027105
 H     -1.015535     -2.236313      1.125270    0.00   0.000217679   0.000064994   0.000148246
 O      0.732321     -0.513234     -0.159764    0.00   0.000467018   0.001166885  -0.000577618
 O      0.673925     -1.750055     -0.854311    0.00  -0.001292907  -0.000755573   0.002070057
 C      1.344443     -2.685247     -0.018154    0.00   0.000078987  -0.000474298   0.003756862
 H      2.121817     -2.249524      0.605916    0.00   0.000281513   0.000070607   0.000987912
 O      0.933240     -3.813626     -0.094321    0.00  -0.003717667   0.000363243  -0.004795899
26
 Energy =      -0.198397606951
 C     -0.278056      2.140958      0.457875    0.00   0.000496882   0.000005590  -0.000232635
 C     -1.526566      2.188650     -0.433765    0.00   0.000551067  -0.000015895  -0.000109360
 C     -1.677087      0.902526     -1.256525    0.00   0.000596492   0.000083222   0.000141781
 C     -1.788979     -0.324500     -0.334924    0.00   0.000632874  -0.000063064   0.000167337
 C     -0.535460     -0.367264      0.565803    0.00   0.000542765  -0.000011971  -0.000309740
 C     -0.274622      0.911930      1.371087    0.00   0.000449173  -0.000033343  -0.000278645
 H     -2.565734      0.966267     -1.910447    0.00   0.000054268   0.000005083   0.000025363
 H     -2.429059      2.350259      0.186523    0.00   0.000056928  -0.000013470  -0.000012646
 H     -1.465518      3.060784     -1.112598    0.00   0.000039618   0.000003796  -0.000015287
 H      0.631475      2.126939     -0.178079    0.00   0.000044351   0.000006937  -0.000021803
 H     -0.212106      3.060225      1.069978    0.00   0.000039489  -0.000002932  -0.000022215
 H     -2.668064     -0.186543      0.347472    0.00   0.000056449  -0.000018211   0.000012454
 H     -1.049782      0.991185      2.160161    0.00   0.000038980  -0.000008963  -0.000024178
 H      0.690504      0.823846      1.909976    0.00   0.000037286  -0.000001135  -0.000029918
 H     -0.805180      0.778687     -1.931769    0.00   0.000045293   0.000024503   0.000011457
 O     -0.581878     -1.434092      1.503651    0.00  -0.000358399  -0.000307620  -0.001331012
 C     -1.997298     -1.610001     -1.131737    0.00   0.000549973  -0.000135554   0.000275136
 H     -1.946268     -2.502583     -0.494785    0.00   0.000050699  -0.000014318   0.000028540
 H     -2.971992     -1.615749     -1.631982    0.00   0.000039830  -0.000007630   0.000016692
 H     -1.229023     -1.735695     -1.911313    0.00   0.000037588  -0.000016119   0.000025500
 H     -1.006874     -2.240865      1.123094    0.00   0.000219429   0.000071711   0.000146084
 O      0.733867     -0.513895     -0.156865    0.00   0.000560104   0.001221601  -0.000657490
 O      0.674538     -1.746523     -0.859181    0.00  -0.001315285  -0.000768946   0.002218455
 C      1.350408     -2.683658     -0.028112    0.00   0.000127762  -0.000566711   0.003857465
 H      2.145530     -2.252013      0.575964    0.00   0.000302908   0.000042453   0.001016169
 O      0.924000     -3.807329     -0.084953    0.00  -0.003896522   0.000520985  -0.004897507
26
 Energy =      -0.197985563784
 C     -0.277869      2.139387      0.458400    0.00   0.000508139   0.000000905  -0.000228736
 C     -1.526148      2.187023     -0.433550    0.00   0.000550437  -0.000015028  -0.000113491
 C     -1.675959      0.901059     -1.256688    0.00   0.000593070   0.000081461   0.000135470
 C     -1.788059     -0.326185     -0.335443    0.00   0.000636123  -0.000065557   0.000166780
 C     -0.535408     -0.369066      0.566489    0.00   0.000568456  -0.000024601  -0.000320139
 C     -0.274642      0.910413      1.371628    0.00   0.000471115  -0.000038719  -0.000263035
 H     -2.564311      0.964772     -1.911012    0.00   0.000053720   0.000005049   0.000024174
 H     -2.428860      2.348120      0.186553    0.00   0.000056922  -0.000012820  -0.000013087
 H     -1.465198      3.059374     -1.112092    0.00   0.000039435   0.000003923  -0.000015769
 H      0.631801      2.125338     -0.177351    0.00   0.000044680   0.000005966  -0.000021137
 H     -0.212087      3.058658      1.070509    0.00   0.000041062  -0.000002689  -0.000022283
 H     -2.667448     -0.188481      0.346705    0.00   0.000056583  -0.000017646   0.000012286
 H     -1.049934      0.989551      2.160600    0.00   0.000041394  -0.000007925  -0.000023103
 H      0.690385      0.822299      1.910707    0.00   0.000039505  -0.000001945  -0.000027186
 H     -0.803704      0.777565     -1.931518    0.00   0.000044651   0.000023702   0.000011121
 O     -0.584599     -1.434385      1.505495    0.00  -0.000384671  -0.000341918  -0.001409027
 C     -1.996464     -1.611423     -1.132651    0.00   0.000538222  -0.000152854   0.000269520
 H     -1.945400     -2.504145     -0.495897    0.00   0.000047819  -0.000018921   0.000025072
 H     -2.971266     -1.616930     -1.632682    0.00   0.000036650  -0.000009039   0.000020014
 H     -1.228351     -1.736907     -1.912360    0.00   0.000039383  -0.000015211   0.000023856
 H     -0.998377     -2.245294      1.121199    0.00   0.000220387   0.000078150   0.000143271
 O      0.735422     -0.514744     -0.153846    0.00   0.000654237   0.001270734  -0.000736913
 O      0.675294     -1.742980     -0.864165    0.00  -0.001333850  -0.000777430   0.002361028
 C      1.356210     -2.682256     -0.038141    0.00   0.000177690  -0.000660402   0.003941200
 H      2.168591     -2.255143      0.545693    0.00   0.000324215   0.000013561   0.001040553
 O      0.915027     -3.800827     -0.075498    0.00  -0.004065374   0.000679253  -0.004980441
26
 Energy =      -0.197561772979
 C     -0.277679      2.137832      0.458893    0.00   0.000516757  -0.000003962  -0.000224642
 C     -1.525747      2.185443     -0.433330    0.00   0.000547288  -0.000014460  -0.000116786
 C     -1.674883      0.899639     -1.256838    0.00   0.000587329   0.000079337   0.000128770
 C     -1.787169     -0.327831     -0.335949    0.00   0.000636589  -0.000067742   0.000165383
 C     -0.535371     -0.370902      0.567152    0.00   0.000591588  -0.000037106  -0.000329317
 C     -0.274621      0.908889      1.372108    0.00   0.000490344  -0.000044601  -0.000247554
 H     -2.562964      0.963326     -1.911529    0.00   0.000052989   0.000004978   0.000022936
 H     -2.428660      2.346049      0.186607    0.00   0.000056611  -0.000012205  -0.000013407
 H     -1.464897      3.058009     -1.111586    0.00   0.000039116   0.000004024  -0.000016101
 H      0.632111      2.123771     -0.176683    0.00   0.000044801   0.000005025  -0.000020466
 H     -0.212044      3.057090      1.071032    0.00   0.000042401  -0.000002474  -0.000022344
 H     -2.666840     -0.190362      0.345979    0.00   0.000056468  -0.000017059   0.000012064
 H     -1.050003      0.987909      2.161020    0.00   0.000043548  -0.000007038  -0.000022028
 H      0.690334      0.820743      1.911329    0.00   0.000041441  -0.000002759  -0.000024551
 H     -0.802306      0.776486     -1.931284    0.00   0.000043863   0.000022836   0.000010742
 O     -0.587413     -1.434681      1.507366    0.00  -0.000407259  -0.000374301  -0.001478587
 C     -1.995713     -1.612791     -1.133558    0.00   0.000525063  -0.000168402   0.000263113
 H     -1.944777     -2.505647     -0.496987    0.00   0.000044858  -0.000023207   0.000021605
 H     -2.970570     -1.617962     -1.633479    0.00   0.000033509  -0.000010348   0.000023182
 H     -1.227686     -1.738146     -1.913311    0.00   0.000040998  -0.000014136   0.000022191
 H     -0.990043     -2.249607      1.119574    0.00   0.000220576   0.000084251   0.000139886
 O      0.736982     -0.515775     -0.150714    0.00   0.000748322   0.001313829  -0.000815226
 O      0.676188     -1.739424     -0.869253    0.00  -0.001348560  -0.000780539   0.002496339
 C      1.361846     -2.681041     -0.048231    0.00   0.000228746  -0.000754615   0.004008159
 H      2.191004     -2.258924      0.515120    0.00   0.000345412  -0.000015836   0.001061137
 O      0.906312     -3.794125     -0.065969    0.00  -0.004222800   0.000836510  -0.005044500
26
 Energy =      -0.197127455964
 C     -0.277488      2.136294      0.459356    0.00   0.000522725  -0.000008940  -0.000220345
 C     -1.525365      2.183910     -0.433109    0.00   0.000541736  -0.000014175  -0.000119252
 C     -1.673856      0.898265     -1.256971    0.00   0.000579356   0.000076853   0.000121751
 C     -1.786308     -0.329437     -0.336444    0.00   0.000634286  -0.000069683   0.000163129
 C     -0.535349     -0.372768      0.567794    0.00   0.000611846  -0.000049402  -0.000337335
 C     -0.274567      0.907361      1.372530    0.00   0.000506655  -0.000050896  -0.000232393
 H     -2.561689      0.961928     -1.912004    0.00   0.000052081   0.000004872   0.000021658
 H     -2.428463      2.344046      0.186680    0.00   0.000056012  -0.000011620  -0.000013612
 H     -1.464610      3.056688     -1.111083    0.00   0.000038663   0.000004096  -0.000016297
 H      0.632407      2.122238     -0.176069    0.00   0.000044727   0.000004115  -0.000019796
 H     -0.211982      3.055524      1.071547    0.00   0.000043499  -0.000002288  -0.000022383
 H     -2.666240     -0.192187      0.345289    0.00   0.000056109  -0.000016469   0.000011789
 H     -1.050002      0.986261      2.161421    0.00   0.000045417  -0.000006298  -0.000020966
 H      0.690343      0.819184      1.911851    0.00   0.000043085  -0.000003573  -0.000022042
 H     -0.800982      0.775446     -1.931065    0.00   0.000042941   0.000021910   0.000010324
 O     -0.590305     -1.434985      1.509253    0.00  -0.000426309  -0.000404524  -0.001539365
 C     -1.995035     -1.614106     -1.134456    0.00   0.000510678  -0.000182090   0.000256031
 H     -1.944380     -2.507091     -0.498053    0.00   0.000041836  -0.000027151   0.000018167
 H     -2.969898     -1.618858     -1.634364    0.00   0.000030445  -0.000011547   0.000026193
 H     -1.227021     -1.739406     -1.914171    0.00   0.000042433  -0.000012894   0.000020517
 H     -0.981867     -2.253806      1.118205    0.00   0.000220017   0.000089945   0.000136004
 O      0.738543     -0.516986     -0.147477    0.00   0.000841206   0.001350388  -0.000891714
 O      0.677218     -1.735853     -0.874431    0.00  -0.001359418  -0.000777729   0.002623080
 C      1.367311     -2.680018     -0.058371    0.00   0.000280876  -0.000848649   0.004058494
 H      2.212771     -2.263370      0.484257    0.00   0.000366473  -0.000045526   0.001077992
 O      0.897852     -3.787229     -0.056373    0.00  -0.004367374   0.000991276  -0.005089630
26
 Energy =      -0.196683893073
 C     -0.277298      2.134775      0.459790    0.00   0.000526059  -0.000013969  -0.000215850
 C     -1.525002      2.182425     -0.432887    0.00   0.000533897  -0.000014154  -0.000120909
 C     -1.672878      0.896934     -1.257092    0.00   0.000569260   0.000074018   0.000114460
 C     -1.785478     -0.331005     -0.336925    0.00   0.000629241  -0.000071448   0.000160010
 C     -0.535345     -0.374659      0.568417    0.00   0.000628952  -0.000061422  -0.000344237
 C     -0.274486      0.905833      1.372902    0.00   0.000519887  -0.000057507  -0.000217716
 H     -2.560481      0.960579     -1.912438    0.00   0.000051001   0.000004734   0.000020359
 H     -2.428269      2.342112      0.186768    0.00   0.000055141  -0.000011065  -0.000013709
 H     -1.464337      3.055409     -1.110587    0.00   0.000038082   0.000004140  -0.000016360
 H      0.632686      2.120740     -0.175503    0.00   0.000044470   0.000003241  -0.000019130
 H     -0.211905      3.053962      1.072056    0.00   0.000044352  -0.000002129  -0.000022388
 H     -2.665653     -0.193955      0.344635    0.00   0.000055511  -0.000015894   0.000011461
 H     -1.049943      0.984610      2.161801    0.00   0.000046976  -0.000005700  -0.000019926
 H      0.690400      0.817624      1.912282    0.00   0.000044430  -0.000004381  -0.000019677
 H     -0.799730      0.774445     -1.930861    0.00   0.000041898   0.000020935   0.000009867
 O     -0.593263     -1.435295      1.511151    0.00  -0.000441976  -0.000432364  -0.001591102
 C     -1.994425     -1.615371     -1.135342    0.00   0.000495239  -0.000193839   0.000248381
 H     -1.944185     -2.508478     -0.499093    0.00   0.000038774  -0.000030734   0.000014783
 H     -2.969247     -1.619627     -1.635328    0.00   0.000027487  -0.000012632   0.000029042
 H     -1.226356     -1.740682     -1.914942    0.00   0.000043685  -0.000011485   0.000018846
 H     -0.973847     -2.257894      1.117079    0.00   0.000218735   0.000095184   0.000131706
 O      0.740101     -0.518371     -0.144144    0.00   0.000931686   0.001380014  -0.000965650
 O      0.678380     -1.732269     -0.879687    0.00  -0.001366398  -0.000768501   0.002740061
 C      1.372606     -2.679191     -0.068552    0.00   0.000333963  -0.000941857   0.004092368
 H      2.233897     -2.268495      0.453113    0.00   0.000387347  -0.000075315   0.001091180
 O      0.889642     -3.780145     -0.046722    0.00  -0.004497701   0.001142130  -0.005115870
26
 Energy =      -0.196232422091
 C     -0.277112      2.133276      0.460199    0.00   0.000526784  -0.000018980  -0.000211153
 C     -1.524657      2.180989     -0.432667    0.00   0.000523900  -0.000014373  -0.000121787
 C     -1.671948      0.895648     -1.257201    0.00   0.000557155   0.000070844   0.000106948
 C     -1.784679     -0.332532     -0.337394    0.00   0.000621509  -0.000073086   0.000156016
 C     -0.535356     -0.376568      0.569020    0.00   0.000642653  -0.000073105  -0.000350066
 C     -0.274382      0.904306      1.373223    0.00   0.000529919  -0.000064334  -0.000203668
 H     -2.559340      0.959275     -1.912835    0.00   0.000049762   0.000004563   0.000019050
 H     -2.428081      2.340246      0.186867    0.00   0.000054018  -0.000010540  -0.000013704
 H     -1.464079      3.054173     -1.110098    0.00   0.000037379   0.000004154  -0.000016299
 H      0.632950      2.119275     -0.174983    0.00   0.000044042   0.000002408  -0.000018473
 H     -0.211816      3.052406      1.072560    0.00   0.000044959  -0.000001996  -0.000022347
 H     -2.665079     -0.195669      0.344013    0.00   0.000054681  -0.000015354   0.000011082
 H     -1.049834      0.982960      2.162160    0.00   0.000048209  -0.000005235  -0.000018916
 H      0.690497      0.816067      1.912632    0.00   0.000045471  -0.000005178  -0.000017475
 H     -0.798546      0.773482     -1.930669    0.00   0.000040745   0.000019921   0.000009374
 O     -0.596276     -1.435613      1.513055    0.00  -0.000454408  -0.000457610  -0.001633603
 C     -1.993877     -1.616589     -1.136215    0.00   0.000478912  -0.000203603   0.000240263
 H     -1.944178     -2.509808     -0.500103    0.00   0.000035691  -0.000033943   0.000011471
 H     -2.968613     -1.620282     -1.636366    0.00   0.000024659  -0.000013596   0.000031726
 H     -1.225688     -1.741970     -1.915626    0.00   0.000044753  -0.000009913   0.000017189
 H     -0.965981     -2.261870      1.116182    0.00   0.000216763   0.000099928   0.000127070
 O      0.741652     -0.519923     -0.140722    0.00   0.001018510   0.001402361  -0.001036284
 O      0.679675     -1.728669     -0.885010    0.00  -0.001369458  -0.000752390   0.002846195
 C      1.377729     -2.678560     -0.078765    0.00   0.000387837  -0.001033642   0.004109978
 H      2.254388     -2.274317      0.421692    0.00   0.000407966  -0.000105018   0.001100763
 O      0.881674     -3.772879     -0.037024    0.00  -0.004612410   0.001287717  -0.005123352
26
 Energy =      -0.195774436887
 C     -0.276930      2.131801      0.460583    0.00   0.000524945  -0.000023913  -0.000206255
 C     -1.524330      2.179600     -0.432450    0.00   0.000511881  -0.000014802  -0.000121920
 C     -1.671062      0.894405     -1.257298    0.00   0.000543164   0.000067349   0.000099264
 C     -1.783910     -0.334020     -0.337851    0.00   0.000611156  -0.000074657   0.000151141
 C     -0.535384     -0.378494      0.569605    0.00   0.000652750  -0.000084392  -0.000354862
 C     -0.274262      0.902784      1.373501    0.00   0.000536648  -0.000071267  -0.000190371
 H     -2.558260      0.958016     -1.913200    0.00   0.000048369   0.000004364   0.000017746
 H     -2.427899      2.338449      0.186975    0.00   0.000052660  -0.000010043  -0.000013603
 H     -1.463829      3.052978     -1.109620    0.00   0.000036559   0.000004139  -0.000016122
 H      0.633198      2.117844     -0.174502    0.00   0.000043454   0.000001617  -0.000017826
 H     -0.211719      3.050860      1.073056    0.00   0.000045314  -0.000001887  -0.000022249
 H     -2.664520     -0.197328      0.343421    0.00   0.000053629  -0.000014861   0.000010651
 H     -1.049685      0.981315      2.162499    0.00   0.000049101  -0.000004893  -0.000017944
 H      0.690629      0.814517      1.912909    0.00   0.000046208  -0.000005957  -0.000015445
 H     -0.797426      0.772553     -1.930490    0.00   0.000039495   0.000018878   0.000008845
 O     -0.599335     -1.435940      1.514958    0.00  -0.000463751  -0.000480061  -0.001666729
 C     -1.993385     -1.617760     -1.137075    0.00   0.000461847  -0.000211355   0.000231766
 H     -1.944342     -2.511083     -0.501084    0.00   0.000032607  -0.000036767   0.000008255
 H     -2.967994     -1.620834     -1.637470    0.00   0.000021984  -0.000014439   0.000034241
 H     -1.225011     -1.743267     -1.916226    0.00   0.000045636  -0.000008185   0.000015559
 H     -0.958263     -2.265740      1.115501    0.00   0.000214139   0.000104142   0.000122177
 O      0.743190     -0.521638     -0.137220    0.00   0.001100401   0.001417131  -0.001102859
 O      0.681102     -1.725053     -0.890385    0.00  -0.001368556  -0.000728975   0.002940505
 C      1.382677     -2.678131     -0.089006    0.00   0.000442264  -0.001123444   0.004111539
 H      2.274249     -2.280852      0.389992    0.00   0.000428245  -0.000134459   0.001106792
 O      0.873945     -3.765438     -0.027289    0.00  -0.004710149   0.001426738  -0.005112298
26
 Energy =      -0.195311386163
 C     -0.276755      2.130348      0.460943    0.00   0.000520592  -0.000028700  -0.000201146
 C     -1.524021      2.178258     -0.432236    0.00   0.000497984  -0.000015419  -0.000121342
 C     -1.670222      0.893203     -1.257385    0.00   0.000527414   0.000063555   0.000091454
 C     -1.783174     -0.335468     -0.338293    0.00   0.000598266  -0.000076200   0.000145390
 C     -0.535431     -0.380430      0.570173    0.00   0.000659060  -0.000095223  -0.000358665
 C     -0.274129      0.901270      1.373736    0.00   0.000540021  -0.000078200  -0.000177922
 H     -2.557241      0.956801     -1.913532    0.00   0.000046834   0.000004137   0.000016457
 H     -2.427724      2.336721      0.187088    0.00   0.000051088  -0.000009572  -0.000013413
 H     -1.463589      3.051823     -1.109152    0.00   0.000035630   0.000004096  -0.000015839
 H      0.633429      2.116447     -0.174059    0.00   0.000042716   0.000000873  -0.000017191
 H     -0.211615      3.049327      1.073547    0.00   0.000045421  -0.000001800  -0.000022088
 H     -2.663982     -0.198937      0.342857    0.00   0.000052362  -0.000014431   0.000010170
 H     -1.049504      0.979676      2.162816    0.00   0.000049642  -0.000004662  -0.000017014
 H      0.690786      0.812974      1.913119    0.00   0.000046643  -0.000006713  -0.000013599
 H     -0.796369      0.771659     -1.930321    0.00   0.000038161   0.000017816   0.000008283
 O     -0.602428     -1.436275      1.516857    0.00  -0.000470144  -0.000499541  -0.001690398
 C     -1.992943     -1.618887     -1.137919    0.00   0.000444184  -0.000217092   0.000222978
 H     -1.944661     -2.512304     -0.502032    0.00   0.000029541  -0.000039202   0.000005150
 H     -2.967383     -1.621291     -1.638636    0.00   0.000019478  -0.000015159   0.000036578
 H     -1.224323     -1.744571     -1.916741    0.00   0.000046333  -0.000006313   0.000013965
 H     -0.950689     -2.269504      1.115023    0.00   0.000210904   0.000107805   0.000117103
 O      0.744711     -0.523509     -0.133645    0.00   0.001176077   0.001424091  -0.001164622
 O      0.682659     -1.721420     -0.895799    0.00  -0.001363632  -0.000697906   0.003022102
 C      1.387452     -2.677910     -0.099270    0.00   0.000496947  -0.001210738   0.004097284
 H      2.293481     -2.288122      0.358013    0.00   0.000448073  -0.000163464   0.001109313
 O      0.866452     -3.757831     -0.017524    0.00  -0.004789594   0.001557960  -0.005082990
26
 Energy =      -0.194844772518
 C     -0.276587      2.128920      0.461283    0.00   0.000513793  -0.000033279  -0.000195827
 C     -1.523730      2.176962     -0.432026    0.00   0.000482359  -0.000016187  -0.000120092
 C     -1.669425      0.892042     -1.257461    0.00   0.000510039   0.000059489   0.000083566
 C     -1.782471     -0.336875     -0.338722    0.00   0.000582938  -0.000077761   0.000138775
 C     -0.535497     -0.382372      0.570726    0.00   0.000661456  -0.000105543  -0.000361499
 C     -0.273991      0.899766      1.373934    0.00   0.000540007  -0.000085017  -0.000166388
 H     -2.556279      0.955629     -1.913837    0.00   0.000045166   0.000003887   0.000015197
 H     -2.427557      2.335061      0.187206    0.00   0.000049322  -0.000009125  -0.000013143
 H     -1.463360      3.050709     -1.108698    0.00   0.000034596   0.000004024  -0.000015458
 H      0.633645      2.115082     -0.173648    0.00   0.000041838   0.000000180  -0.000016569
 H     -0.211506      3.047808      1.074029    0.00   0.000045279  -0.000001732  -0.000021855
 H     -2.663466     -0.200492      0.342318    0.00   0.000050892  -0.000014071   0.000009640
 H     -1.049298      0.978049      2.163113    0.00   0.000049826  -0.000004526  -0.000016131
 H      0.690962      0.811443      1.913270    0.00   0.000046780  -0.000007440  -0.000011939
 H     -0.795372      0.770796     -1.930161    0.00   0.000036755   0.000016744   0.000007690
 O     -0.605549     -1.436617      1.518747    0.00  -0.000473723  -0.000515886  -0.001704582
 C     -1.992546     -1.619972     -1.138747    0.00   0.000426053  -0.000220832   0.000213972
 H     -1.945124     -2.513473     -0.502947    0.00   0.000026511  -0.000041246   0.000002176
 H     -2.966779     -1.621661     -1.639860    0.00   0.000017155  -0.000015755   0.000038733
 H     -1.223622     -1.745876     -1.917174    0.00   0.000046839  -0.000004311   0.000012417
 H     -0.943253     -2.273167      1.114734    0.00   0.000207101   0.000110901   0.000111922
 O      0.746211     -0.525527     -0.130005    0.00   0.001244261   0.001423072  -0.001220836
 O      0.684350     -1.717767     -0.901241    0.00  -0.001354617  -0.000658926   0.003090185
 C      1.392051     -2.677898     -0.109552    0.00   0.000551505  -0.001295012   0.004067447
 H      2.312090     -2.296146      0.325745    0.00   0.000467318  -0.000191854   0.001108362
 O      0.859190     -3.750066     -0.007736    0.00  -0.004849447   0.001680207  -0.005035762
26
 Energy =      -0.194376152015
 C     -0.276427      2.127519      0.461603    0.00   0.000504624  -0.000037588  -0.000190284
 C     -1.523456      2.175712     -0.431822    0.00   0.000465154  -0.000017074  -0.000118210
 C     -1.668671      0.890921     -1.257528    0.00   0.000491176   0.000055180   0.000075646
 C     -1.781803     -0.338243     -0.339138    0.00   0.000565289  -0.000079360   0.000131319
 C     -0.535585     -0.384317      0.571263    0.00   0.000659837  -0.000115304  -0.000363383
 C     -0.273850      0.898276      1.374097    0.00   0.000536610  -0.000091604  -0.000155817
 H     -2.555372      0.954500     -1.914115    0.00   0.000043376   0.000003616   0.000013973
 H     -2.427397      2.333469      0.187324    0.00   0.000047382  -0.000008700  -0.000012798
 H     -1.463139      3.049632     -1.108256    0.00   0.000033467   0.000003924  -0.000014989
 H      0.633845      2.113749     -0.173268    0.00   0.000040831  -0.000000461  -0.000015959
 H     -0.211395      3.046305      1.074505    0.00   0.000044893  -0.000001682  -0.000021544
 H     -2.662973     -0.201996      0.341802    0.00   0.000049231  -0.000013793   0.000009065
 H     -1.049074      0.976437      2.163390    0.00   0.000049655  -0.000004470  -0.000015298
 H      0.691151      0.809923      1.913369    0.00   0.000046626  -0.000008132  -0.000010464
 H     -0.794432      0.769964     -1.930010    0.00   0.000035286   0.000015671   0.000007071
 O     -0.608688     -1.436966      1.520625    0.00  -0.000474613  -0.000528951  -0.001709309
 C     -1.992189     -1.621016     -1.139558    0.00   0.000407566  -0.000222613   0.000204819
 H     -1.945719     -2.514589     -0.503826    0.00   0.000023534  -0.000042898  -0.000000652
 H     -2.966176     -1.621952     -1.641139    0.00   0.000015023  -0.000016227   0.000040694
 H     -1.222902     -1.747180     -1.917528    0.00   0.000047153  -0.000002199   0.000010925
 H     -0.935949     -2.276730      1.114622    0.00   0.000202777   0.000113423   0.000106706
 O      0.747683     -0.527685     -0.126309    0.00   0.001303707   0.001413980  -0.001270779
 O      0.686175     -1.714093     -0.906693    0.00  -0.001341418  -0.000611893   0.003144021
 C      1.396474     -2.678102     -0.119852    0.00   0.000605468  -0.001375753   0.004022267
 H      2.330071     -2.304948      0.293183    0.00   0.000485815  -0.000219445   0.001103965
 O      0.852156     -3.742151      0.002066    0.00  -0.004888448   0.001792353  -0.004970984
26
 Energy =      -0.193907134231
 C     -0.276278      2.126144      0.461904    0.00   0.000493172  -0.000041570  -0.000184508
 C     -1.523199      2.174508     -0.431625    0.00   0.000446528  -0.000018041  -0.000115734
 C     -1.667959      0.889842     -1.257587    0.00   0.000470968   0.000050666   0.000067748
 C     -1.781169     -0.339570     -0.339541    0.00   0.000545447  -0.000081019   0.000123062
 C     -0.535694     -0.386259      0.571787    0.00   0.000654157  -0.000124448  -0.000364324
 C     -0.273710      0.896801      1.374229    0.00   0.000529866  -0.000097836  -0.000146220
 H     -2.554517      0.953413     -1.914370    0.00   0.000041474   0.000003328   0.000012794
 H     -2.427247      2.331943      0.187442    0.00   0.000045290  -0.000008293  -0.000012387
 H     -1.462925      3.048595     -1.107830    0.00   0.000032249   0.000003797  -0.000014443
 H      0.634030      2.112448     -0.172915    0.00   0.000039701  -0.000001046  -0.000015360
 H     -0.211283      3.044823      1.074973    0.00   0.000044265  -0.000001646  -0.000021151
 H     -2.662509     -0.203452      0.341305    0.00   0.000047390  -0.000013599   0.000008446
 H     -1.048840      0.974843      2.163649    0.00   0.000049128  -0.000004476  -0.000014516
 H      0.691348      0.808419      1.913421    0.00   0.000046192  -0.000008782  -0.000009174
 H     -0.793546      0.769162     -1.929866    0.00   0.000033767   0.000014606   0.000006427
 O     -0.611840     -1.437321      1.522486    0.00  -0.000472939  -0.000538615  -0.001704643
 C     -1.991868     -1.622021     -1.140350    0.00   0.000388828  -0.000222485   0.000195578
 H     -1.946433     -2.515655     -0.504670    0.00   0.000020629  -0.000044164  -0.000003316
 H     -2.965573     -1.622174     -1.642469    0.00   0.000013091  -0.000016577   0.000042450
 H     -1.222162     -1.748481     -1.917799    0.00   0.000047269   0.000000000   0.000009498
 H     -0.928768     -2.280195      1.114673    0.00   0.000197978   0.000115370   0.000101520
 O      0.749123     -0.529973     -0.122565    0.00   0.001353224   0.001396784  -0.001313757
 O      0.688139     -1.710396     -0.912145    0.00  -0.001323934  -0.000556809   0.003182951
 C      1.400719     -2.678529     -0.130165    0.00   0.000658264  -0.001452433   0.003961965
 H      2.347424     -2.314552      0.260312    0.00   0.000503369  -0.000246035   0.001096137
 O      0.845350     -3.734097      0.011878    0.00  -0.004905373   0.001893325  -0.004889044
26
 Energy =      -0.193439383331
 C     -0.276139      2.124797      0.462188    0.00   0.000479535  -0.000045163  -0.000178484
 C     -1.522960      2.173348     -0.431432    0.00   0.000426636  -0.000019055  -0.000112704
 C     -1.667288      0.888800     -1.257638    0.00   0.000449558   0.000045986   0.000059925
 C     -1.780573     -0.340858     -0.339929    0.00   0.000523553  -0.000082739   0.000114059
 C     -0.535829     -0.388195      0.572297    0.00   0.000644402  -0.000132919  -0.000364306
 C     -0.273574      0.895344      1.374332    0.00   0.000519845  -0.000103593  -0.000137586
 H     -2.553713      0.952367     -1.914603    0.00   0.000039474   0.000003026   0.000011668
 H     -2.427107      2.330483      0.187559    0.00   0.000043066  -0.000007902  -0.000011918
 H     -1.462718      3.047595     -1.107420    0.00   0.000030948   0.000003646  -0.000013827
 H      0.634199      2.111178     -0.172587    0.00   0.000038456  -0.000001572  -0.000014772
 H     -0.211171      3.043361      1.075433    0.00   0.000043403  -0.000001623  -0.000020673
 H     -2.662077     -0.204859      0.340826    0.00   0.000045383  -0.000013492   0.000007787
 H     -1.048599      0.973272      2.163889    0.00   0.000048256  -0.000004529  -0.000013784
 H      0.691546      0.806932      1.913430    0.00   0.000045488  -0.000009383  -0.000008058
 H     -0.792713      0.768386     -1.929726    0.00   0.000032205   0.000013554   0.000005766
 O     -0.614997     -1.437681      1.524329    0.00  -0.000468809  -0.000544770  -0.001690695
 C     -1.991579     -1.622987     -1.141125    0.00   0.000369931  -0.000220519   0.000186302
 H     -1.947258     -2.516670     -0.505477    0.00   0.000017812  -0.000045047  -0.000005799
 H     -2.964965     -1.622332     -1.643846    0.00   0.000011361  -0.000016805   0.000043985
 H     -1.221397     -1.749777     -1.917992    0.00   0.000047182   0.000002258   0.000008145
 H     -0.921702     -2.283567      1.114876    0.00   0.000192749   0.000116744   0.000096420
 O      0.750524     -0.532382     -0.118778    0.00   0.001391705   0.001371529  -0.001349113
 O      0.690244     -1.706674     -0.917580    0.00  -0.001302049  -0.000493839   0.003206368
 C      1.404784     -2.679181     -0.140492    0.00   0.000709199  -0.001524475   0.003886752
 H      2.364139     -2.324981      0.227120    0.00   0.000519750  -0.000271399   0.001084878
 O      0.838767     -3.725912      0.021691    0.00  -0.004899040   0.001982080  -0.004790337
26
 Energy =      -0.192974620091
 C     -0.276011      2.123478      0.462455    0.00   0.000463823  -0.000048314  -0.000172197
 C     -1.522736      2.172233     -0.431247    0.00   0.000405642  -0.000020073  -0.000109163
 C     -1.666655      0.887796     -1.257682    0.00   0.000427091   0.000041185   0.000052236
 C     -1.780014     -0.342105     -0.340304    0.00   0.000499772  -0.000084502   0.000104385
 C     -0.535991     -0.390120      0.572796    0.00   0.000630607  -0.000140654  -0.000363298
 C     -0.273448      0.893907      1.374411    0.00   0.000506650  -0.000108754  -0.000129875
 H     -2.552958      0.951363     -1.914818    0.00   0.000037385   0.000002715   0.000010602
 H     -2.426974      2.329088      0.187673    0.00   0.000040733  -0.000007524  -0.000011397
 H     -1.462519      3.046632     -1.107025    0.00   0.000029572   0.000003472  -0.000013154
 H      0.634354      2.109937     -0.172280    0.00   0.000037104  -0.000002036  -0.000014189
 H     -0.211059      3.041922      1.075883    0.00   0.000042314  -0.000001610  -0.000020107
 H     -2.661680     -0.206220      0.340362    0.00   0.000043225  -0.000013470   0.000007096
 H     -1.048358      0.971726      2.164113    0.00   0.000047051  -0.000004609  -0.000013100
 H      0.691742      0.805462      1.913404    0.00   0.000044527  -0.000009927  -0.000007108
 H     -0.791931      0.767637     -1.929592    0.00   0.000030611   0.000012525   0.000005091
 O     -0.618153     -1.438045      1.526150    0.00  -0.000462332  -0.000547334  -0.001667614
 C     -1.991317     -1.623918     -1.141881    0.00   0.000350951  -0.000216799   0.000177036
 H     -1.948184     -2.517637     -0.506246    0.00   0.000015100  -0.000045553  -0.000008084
 H     -2.964349     -1.622434     -1.645271    0.00   0.000009831  -0.000016913   0.000045283
 H     -1.220607     -1.751066     -1.918106    0.00   0.000046886   0.000004542   0.000006874
 H     -0.914739     -2.286847      1.115220    0.00   0.000187132   0.000117553   0.000091456
 O      0.751881     -0.534902     -0.114961    0.00   0.001418146   0.001338346  -0.001376219
 O      0.692496     -1.702926     -0.922984    0.00  -0.001275628  -0.000423357   0.003213704
 C      1.408666     -2.680066     -0.150832    0.00   0.000757452  -0.001591227   0.003796812
 H      2.380205     -2.336259      0.193593    0.00   0.000534683  -0.000295286   0.001070176
 O      0.832407     -3.717608      0.031502    0.00  -0.004868328   0.002057605  -0.004675246
26
 Energy =      -0.192514624887
 C     -0.275894      2.122191      0.462707    0.00   0.000446158  -0.000050974  -0.000165624
 C     -1.522530      2.171162     -0.431070    0.00   0.000383700  -0.000021057  -0.000105149
 C     -1.666064      0.886830     -1.257718    0.00   0.000403718   0.000036313   0.000044740
 C     -1.779496     -0.343312     -0.340665    0.00   0.000474277  -0.000086285   0.000094136
 C     -0.536182     -0.392029      0.573285    0.00   0.000612860  -0.000147580  -0.000361244
 C     -0.273334      0.892493      1.374466    0.00   0.000490418  -0.000113193  -0.000123014
 H     -2.552248      0.950399     -1.915017    0.00   0.000035221   0.000002399   0.000009599
 H     -2.426854      2.327758      0.187783    0.00   0.000038311  -0.000007155  -0.000010833
 H     -1.462325      3.045703     -1.106647    0.00   0.000028128   0.000003276  -0.000012431
 H      0.634493      2.108726     -0.171993    0.00   0.000035649  -0.000002436  -0.000013609
 H     -0.210951      3.040510      1.076325    0.00   0.000041006  -0.000001602  -0.000019453
 H     -2.661320     -0.207534      0.339910    0.00   0.000040930  -0.000013525   0.000006376
 H     -1.048119      0.970209      2.164320    0.00   0.000045527  -0.000004699  -0.000012460
 H      0.691933      0.804011      1.913344    0.00   0.000043322  -0.000010407  -0.000006310
 H     -0.791196      0.766911     -1.929460    0.00   0.000028990   0.000011523   0.000004410
 O     -0.621303     -1.438414      1.527947    0.00  -0.000453603  -0.000546238  -0.001635574
 C     -1.991079     -1.624814     -1.142617    0.00   0.000331953  -0.000211414   0.000167815
 H     -1.949202     -2.518556     -0.506977    0.00   0.000012511  -0.000045689  -0.000010155
 H     -2.963723     -1.622484     -1.646738    0.00   0.000008501  -0.000016903   0.000046321
 H     -1.219787     -1.752344     -1.918143    0.00   0.000046373   0.000006815   0.000005691
 H     -0.907868     -2.290039      1.115692    0.00   0.000181166   0.000117801   0.000086665
 O      0.753186     -0.537520     -0.111118    0.00   0.001431692   0.001297439  -0.001394486
 O      0.694900     -1.699149     -0.928344    0.00  -0.001244534  -0.000345964   0.003204423
 C      1.412361     -2.681190     -0.161185    0.00   0.000802060  -0.001651937   0.003692305
 H      2.395607     -2.348413      0.159713    0.00   0.000547852  -0.000317401   0.001051999
 O      0.826272     -3.709197      0.041303    0.00  -0.004812185   0.002118892  -0.004544137
26
 Energy =      -0.192061241986
 C     -0.275790      2.120934      0.462944    0.00   0.000426670  -0.000053091  -0.000158746
 C     -1.522338      2.170134     -0.430900    0.00   0.000360975  -0.000021962  -0.000100700
 C     -1.665510      0.885900     -1.257748    0.00   0.000379585   0.000031422   0.000037503
 C     -1.779019     -0.344480     -0.341013    0.00   0.000447261  -0.000088026   0.000083427
 C     -0.536404     -0.393920      0.573764    0.00   0.000591292  -0.000153621  -0.000358058
 C     -0.273233      0.891105      1.374503    0.00   0.000471319  -0.000116788  -0.000116908
 H     -2.551582      0.949477     -1.915200    0.00   0.000032994   0.000002080   0.000008663
 H     -2.426743      2.326490      0.187888    0.00   0.000035822  -0.000006793  -0.000010232
 H     -1.462137      3.044810     -1.106285    0.00   0.000026624   0.000003063  -0.000011670
 H      0.634618      2.107545     -0.171724    0.00   0.000034097  -0.000002772  -0.000013028
 H     -0.210845      3.039126      1.076755    0.00   0.000039489  -0.000001599  -0.000018713
 H     -2.661001     -0.208805      0.339468    0.00   0.000038516  -0.000013649   0.000005637
 H     -1.047889      0.968725      2.164515    0.00   0.000043709  -0.000004783  -0.000011859
 H      0.692113      0.802580      1.913257    0.00   0.000041890  -0.000010814  -0.000005649
 H     -0.790508      0.766210     -1.929331    0.00   0.000027348   0.000010553   0.000003732
 O     -0.624442     -1.438782      1.529717    0.00  -0.000442713  -0.000541431  -0.001594786
 C     -1.990862     -1.625677     -1.143333    0.00   0.000312990  -0.000204478   0.000158666
 H     -1.950305     -2.519427     -0.507670    0.00   0.000010061  -0.000045463  -0.000011996
 H     -2.963083     -1.622492     -1.648247    0.00   0.000007361  -0.000016774   0.000047077
 H     -1.218936     -1.753610     -1.918104    0.00   0.000045638   0.000009039   0.000004605
 H     -0.901076     -2.293147      1.116281    0.00   0.000174879   0.000117492   0.000082072
 O      0.754435     -0.540224     -0.107259    0.00   0.001431655   0.001249119  -0.001403361
 O      0.697462     -1.695344     -0.933645    0.00  -0.001208605  -0.000262550   0.003177992
 C      1.415864     -2.682557     -0.171554    0.00   0.000841901  -0.001705694   0.003573378
 H      2.410323     -2.361465      0.125466    0.00   0.000558891  -0.000337400   0.001030307
 O      0.820358     -3.700690      0.051090    0.00  -0.004729647   0.002164921  -0.004397352
26
 Energy =      -0.191616385152
 C     -0.275697      2.119709      0.463169    0.00   0.000405503  -0.000054626  -0.000151541
 C     -1.522163      2.169147     -0.430737    0.00   0.000337625  -0.000022752  -0.000095860
 C     -1.664993      0.885006     -1.257772    0.00   0.000354843   0.000026570   0.000030590
 C     -1.778585     -0.345609     -0.341348    0.00   0.000418933  -0.000089661   0.000072408
 C     -0.536661     -0.395790      0.574234    0.00   0.000566089  -0.000158667  -0.000353629
 C     -0.273151      0.889744      1.374523    0.00   0.000449557  -0.000119421  -0.000111433
 H     -2.550958      0.948594     -1.915372    0.00   0.000030717   0.000001766   0.000007796
 H     -2.426643      2.325282      0.187989    0.00   0.000033286  -0.000006433  -0.000009603
 H     -1.461957      3.043952     -1.105941    0.00   0.000025066   0.000002834  -0.000010878
 H      0.634728      2.106391     -0.171471    0.00   0.000032453  -0.000003040  -0.000012440
 H     -0.210742      3.037771      1.077174    0.00   0.000037777  -0.000001597  -0.000017887
 H     -2.660726     -0.210033      0.339034    0.00   0.000036001  -0.000013824   0.000004888
 H     -1.047671      0.967278      2.164696    0.00   0.000041619  -0.000004845  -0.000011290
 H      0.692279      0.801170      1.913145    0.00   0.000040247  -0.000011136  -0.000005107
 H     -0.789863      0.765530     -1.929201    0.00   0.000025691   0.000009618   0.000003063
 O     -0.627563     -1.439152      1.531458    0.00  -0.000429739  -0.000532886  -0.001545476
 C     -1.990661     -1.626509     -1.144030    0.00   0.000294100  -0.000196102   0.000149603
 H     -1.951486     -2.520254     -0.508323    0.00   0.000007765  -0.000044882  -0.000013588
 H     -2.962428     -1.622460     -1.649795    0.00   0.000006403  -0.000016527   0.000047523
 H     -1.218053     -1.754862     -1.917990    0.00   0.000044671   0.000011162   0.000003620
 H     -0.894347     -2.296173      1.116977    0.00   0.000168292   0.000116624   0.000077686
 O      0.755620     -0.543002     -0.103392    0.00   0.001417557   0.001193752  -0.001402335
 O      0.700191     -1.691507     -0.938870    0.00  -0.001167705  -0.000174285   0.003133908
 C      1.419169     -2.684173     -0.181940    0.00   0.000875720  -0.001751419   0.003440153
 H      2.424327     -2.375437      0.090833    0.00   0.000567387  -0.000354875   0.001005038
 O      0.814670     -3.692100      0.060858    0.00  -0.004619857   0.002194651  -0.004235209
26
 Energy =      -0.191182044448
 C     -0.275615      2.118516      0.463380    0.00   0.000382807  -0.000055541  -0.000143986
 C     -1.522002      2.168203     -0.430584    0.00   0.000313808  -0.000023382  -0.000090667
 C     -1.664513      0.884148     -1.257792    0.00   0.000329639   0.000021815   0.000024071
 C     -1.778195     -0.346697     -0.341668    0.00   0.000389521  -0.000091080   0.000061237
 C     -0.536952     -0.397633      0.574697    0.00   0.000537488  -0.000162617  -0.000347808
 C     -0.273087      0.888411      1.374528    0.00   0.000425371  -0.000120978  -0.000106443
 H     -2.550375      0.947751     -1.915531    0.00   0.000028405   0.000001458   0.000006996
 H     -2.426552      2.324136      0.188083    0.00   0.000030724  -0.000006074  -0.000008950
 H     -1.461782      3.043127     -1.105615    0.00   0.000023461   0.000002593  -0.000010067
 H      0.634826      2.105264     -0.171232    0.00   0.000030721  -0.000003241  -0.000011839
 H     -0.210644      3.036447      1.077582    0.00   0.000035881  -0.000001592  -0.000016980
 H     -2.660498     -0.211219      0.338605    0.00   0.000033405  -0.000014029   0.000004139
 H     -1.047465      0.965868      2.164867    0.00   0.000039288  -0.000004871  -0.000010743
 H      0.692430      0.799781      1.913011    0.00   0.000038408  -0.000011367  -0.000004666
 H     -0.789261      0.764872     -1.929071    0.00   0.000024020   0.000008720   0.000002416
 O     -0.630664     -1.439521      1.533171    0.00  -0.000414752  -0.000520586  -0.001487896
 C     -1.990473     -1.627310     -1.144707    0.00   0.000275305  -0.000186416   0.000140634
 H     -1.952736     -2.521035     -0.508939    0.00   0.000005643  -0.000043955  -0.000014916
 H     -2.961755     -1.622394     -1.651382    0.00   0.000005615  -0.000016165   0.000047630
 H     -1.217135     -1.756097     -1.917802    0.00   0.000043465   0.000013139   0.000002743
 H     -0.887665     -2.299122      1.117773    0.00   0.000161418   0.000115188   0.000073506
 O      0.756735     -0.545840     -0.099525    0.00   0.001389153   0.001131839  -0.001390926
 O      0.703093     -1.687637     -0.944007    0.00  -0.001121686  -0.000082702   0.003071623
 C      1.422268     -2.686041     -0.192343    0.00   0.000902110  -0.001787788   0.003292767
 H      2.437586     -2.390349      0.055801    0.00   0.000572881  -0.000369350   0.000976130
 O      0.809208     -3.683440      0.070601    0.00  -0.004482097   0.002206980  -0.004058003
26
 Energy =      -0.190760294105
 C     -0.275548      2.117356      0.463581    0.00   0.000358748  -0.000055805  -0.000136062
 C     -1.521856      2.167298     -0.430437    0.00   0.000289679  -0.000023815  -0.000085155
 C     -1.664070      0.883323     -1.257806    0.00   0.000304123   0.000017225   0.000018009
 C     -1.777849     -0.347747     -0.341976    0.00   0.000359266  -0.000092173   0.000050108
 C     -0.537282     -0.399447      0.575153    0.00   0.000505786  -0.000165333  -0.000340419
 C     -0.273045      0.887111      1.374522    0.00   0.000399024  -0.000121350  -0.000101776
 H     -2.549830      0.946949     -1.915682    0.00   0.000026070   0.000001163   0.000006261
 H     -2.426471      2.323048      0.188173    0.00   0.000028154  -0.000005710  -0.000008283
 H     -1.461613      3.042334     -1.105305    0.00   0.000021817   0.000002343  -0.000009244
 H      0.634912      2.104166     -0.171005    0.00   0.000028904  -0.000003373  -0.000011221
 H     -0.210549      3.035157      1.077976    0.00   0.000033820  -0.000001583  -0.000015997
 H     -2.660321     -0.212364      0.338179    0.00   0.000030747  -0.000014239   0.000003402
 H     -1.047275      0.964502      2.165029    0.00   0.000036746  -0.000004852  -0.000010210
 H      0.692562      0.798415      1.912859    0.00   0.000036391  -0.000011494  -0.000004303
 H     -0.788699      0.764233     -1.928940    0.00   0.000022340   0.000007861   0.000001799
 O     -0.633739     -1.439889      1.534850    0.00  -0.000397818  -0.000504533  -0.001422317
 C     -1.990296     -1.628083     -1.145365    0.00   0.000256615  -0.000175555   0.000131752
 H     -1.954050     -2.521773     -0.509517    0.00   0.000003707  -0.000042689  -0.000015962
 H     -2.961061     -1.622300     -1.653003    0.00   0.000004977  -0.000015687   0.000047367
 H     -1.216180     -1.757314     -1.917543    0.00   0.000042012   0.000014917   0.000001977
 H     -0.881015     -2.301995      1.118659    0.00   0.000154256   0.000113159   0.000069512
 O      0.757773     -0.548723     -0.095663    0.00   0.001346465   0.001063940  -0.001368692
 O      0.706176     -1.683735     -0.949041    0.00  -0.001070451   0.000010315   0.002990598
 C      1.425151     -2.688165     -0.202766    0.00   0.000919567  -0.001813228   0.003131375
 H      2.450061     -2.406214      0.020353    0.00   0.000574874  -0.000380261   0.000943512
 O      0.803975     -3.674725      0.080314    0.00  -0.004315817   0.002200757  -0.003866028
26
 Energy =       -0.19035330101
 C     -0.275491      2.116231      0.463769    0.00   0.000333497  -0.000055399  -0.000127749
 C     -1.521724      2.166433     -0.430299    0.00   0.000265385  -0.000024012  -0.000079367
 C     -1.663661      0.882531     -1.257816    0.00   0.000278437   0.000012861   0.000012473
 C     -1.777550     -0.348760     -0.342270    0.00   0.000328421  -0.000092790   0.000039226
 C     -0.537652     -0.401228      0.575604    0.00   0.000471321  -0.000166663  -0.000331255
 C     -0.273025      0.885845      1.374505    0.00   0.000370816  -0.000120448  -0.000097248
 H     -2.549320      0.946185     -1.915826    0.00   0.000023729   0.000000884   0.000005588
 H     -2.426400      2.322015      0.188255    0.00   0.000025597  -0.000005342  -0.000007604
 H     -1.461450      3.041574     -1.105013    0.00   0.000020142   0.000002090  -0.000008418
 H      0.634984      2.103094     -0.170789    0.00   0.000027006  -0.000003436  -0.000010580
 H     -0.210460      3.033900      1.078358    0.00   0.000031605  -0.000001565  -0.000014946
 H     -2.660195     -0.213470      0.337752    0.00   0.000028050  -0.000014423   0.000002688
 H     -1.047103      0.963180      2.165185    0.00   0.000034029  -0.000004777  -0.000009681
 H      0.692675      0.797071      1.912691    0.00   0.000034211  -0.000011506  -0.000004003
 H     -0.788175      0.763612     -1.928808    0.00   0.000020650   0.000007040   0.000001223
 O     -0.636786     -1.440254      1.536497    0.00  -0.000378991  -0.000484749  -0.001349025
 C     -1.990127     -1.628827     -1.146003    0.00   0.000238022  -0.000163665   0.000122939
 H     -1.955423     -2.522469     -0.510056    0.00   0.000001974  -0.000041094  -0.000016713
 H     -2.960347     -1.622183     -1.654657    0.00   0.000004474  -0.000015093   0.000046703
 H     -1.215190     -1.758512     -1.917215    0.00   0.000040307   0.000016442   0.000001325
 H     -0.874375     -2.304798      1.119627    0.00   0.000146792   0.000110501   0.000065665
 O      0.758728     -0.551639     -0.091818    0.00   0.001289797   0.000990744  -0.001335220
 O      0.709450     -1.679799     -0.953958    0.00  -0.001013938   0.000102476   0.002890248
 C      1.427808     -2.690547     -0.213210    0.00   0.000926505  -0.001825857   0.002956197
 H      2.461708     -2.423046     -0.015521    0.00   0.000572838  -0.000386953   0.000907126
 O      0.798973     -3.665966      0.089993    0.00  -0.004120675   0.002174735  -0.003659593
26
 Energy =      -0.189963333241
 C     -0.275447      2.115138      0.463948    0.00   0.000307230  -0.000054304  -0.000119037
 C     -1.521607      2.165606     -0.430169    0.00   0.000241067  -0.000023939  -0.000073341
 C     -1.663284      0.881772     -1.257823    0.00   0.000252723   0.000008790   0.000007523
 C     -1.777298     -0.349735     -0.342552    0.00   0.000297257  -0.000092767   0.000028811
 C     -0.538064     -0.402974      0.576050    0.00   0.000434486  -0.000166448  -0.000320071
 C     -0.273028      0.884614      1.374481    0.00   0.000341059  -0.000118184  -0.000092673
 H     -2.548846      0.945461     -1.915964    0.00   0.000021394   0.000000626   0.000004970
 H     -2.426339      2.321038      0.188331    0.00   0.000023067  -0.000004965  -0.000006921
 H     -1.461293      3.040844     -1.104737    0.00   0.000018442   0.000001833  -0.000007597
 H      0.635044      2.102050     -0.170583    0.00   0.000025032  -0.000003432  -0.000009907
 H     -0.210375      3.032680      1.078727    0.00   0.000029259  -0.000001537  -0.000013831
 H     -2.660124     -0.214539      0.337324    0.00   0.000025335  -0.000014543   0.000002012
 H     -1.046949      0.961903      2.165334    0.00   0.000031175  -0.000004642  -0.000009143
 H      0.692767      0.795750      1.912510    0.00   0.000031883  -0.000011393  -0.000003742
 H     -0.787687      0.763010     -1.928673    0.00   0.000018951   0.000006257   0.000000701
 O     -0.639801     -1.440615      1.538110    0.00  -0.000358313  -0.000461268  -0.001268327
 C     -1.989964     -1.629545     -1.146622    0.00   0.000219504  -0.000150898   0.000114160
 H     -1.956846     -2.523125     -0.510559    0.00   0.000000458  -0.000039178  -0.000017150
 H     -2.959610     -1.622047     -1.656342    0.00   0.000004083  -0.000014387   0.000045607
 H     -1.214164     -1.759688     -1.916820    0.00   0.000038343   0.000017662   0.000000789
 H     -0.867728     -2.307534      1.120672    0.00   0.000138999   0.000107158   0.000061911
 O      0.759593     -0.554572     -0.087993    0.00   0.001219750   0.000913015  -0.001290139
 O      0.712923     -1.675832     -0.958742    0.00  -0.000952174   0.000191103   0.002769977
 C      1.430227     -2.693186     -0.223678    0.00   0.000921324  -0.001823475   0.002767549
 H      2.472475     -2.440847     -0.051830    0.00   0.000566231  -0.000388676   0.000866932
 O      0.794208     -3.657181      0.099633    0.00  -0.003896567   0.002127591  -0.003439066
26
 Energy =      -0.189592767718
 C     -0.275415      2.114081      0.464117    0.00   0.000280132  -0.000052513  -0.000109915
 C     -1.521502      2.164816     -0.430047    0.00   0.000216859  -0.000023568  -0.000067113
 C     -1.662941      0.881044     -1.257825    0.00   0.000227118   0.000005082   0.000003212
 C     -1.777092     -0.350673     -0.342821    0.00   0.000266033  -0.000091936   0.000019096
 C     -0.538518     -0.404682      0.576490    0.00   0.000395704  -0.000164483  -0.000306622
 C     -0.273056      0.883419      1.374451    0.00   0.000310089  -0.000114498  -0.000087857
 H     -2.548404      0.944775     -1.916096    0.00   0.000019083   0.000000391   0.000004401
 H     -2.426287      2.320113      0.188402    0.00   0.000020581  -0.000004577  -0.000006239
 H     -1.461143      3.040144     -1.104479    0.00   0.000016725   0.000001582  -0.000006785
 H      0.635093      2.101031     -0.170385    0.00   0.000022984  -0.000003363  -0.000009200
 H     -0.210296      3.031496      1.079081    0.00   0.000026798  -0.000001497  -0.000012664
 H     -2.660109     -0.215572      0.336892    0.00   0.000022629  -0.000014560   0.000001387
 H     -1.046815      0.960675      2.165479    0.00   0.000028221  -0.000004444  -0.000008586
 H      0.692836      0.794452      1.912316    0.00   0.000029424  -0.000011144  -0.000003503
 H     -0.787234      0.762425     -1.928535    0.00   0.000017243   0.000005509   0.000000240
 O     -0.642781     -1.440970      1.539687    0.00  -0.000335814  -0.000434142  -0.001180541
 C     -1.989802     -1.630240     -1.147223    0.00   0.000201024  -0.000137414   0.000105374
 H     -1.958315     -2.523742     -0.511025    0.00  -0.000000829  -0.000036951  -0.000017265
 H     -2.958849     -1.621896     -1.658055    0.00   0.000003780  -0.000013569   0.000044049
 H     -1.213103     -1.760843     -1.916362    0.00   0.000036118   0.000018524   0.000000370
 H     -0.861052     -2.310207      1.121789    0.00   0.000130830   0.000103053   0.000058180
 O      0.760364     -0.557510     -0.084198    0.00   0.001137233   0.000831601  -0.001233117
 O      0.716603     -1.671833     -0.963383    0.00  -0.000885311   0.000273118   0.002629182
 C      1.432394     -2.696081     -0.234170    0.00   0.000902515  -0.001803547   0.002565893
 H      2.482305     -2.459614     -0.088577    0.00   0.000554524  -0.000384574   0.000822924
 O      0.789684     -3.648382      0.109228    0.00  -0.003643691   0.002057921  -0.003204903
26
 Energy =       -0.18924409583
 C     -0.275393      2.113058      0.464277    0.00   0.000252385  -0.000050032  -0.000100379
 C     -1.521408      2.164062     -0.429932    0.00   0.000192881  -0.000022869  -0.000060718
 C     -1.662630      0.880347     -1.257825    0.00   0.000201745   0.000001798  -0.000000414
 C     -1.776933     -0.351574     -0.343079    0.00   0.000235028  -0.000090094   0.000010309
 C     -0.539016     -0.406351      0.576928    0.00   0.000355442  -0.000160589  -0.000290621
 C     -0.273107      0.882260      1.374416    0.00   0.000278248  -0.000109346  -0.000082621
 H     -2.547994      0.944127     -1.916225    0.00   0.000016808   0.000000184   0.000003875
 H     -2.426243      2.319238      0.188466    0.00   0.000018154  -0.000004177  -0.000005561
 H     -1.460999      3.039473     -1.104236    0.00   0.000014996   0.000001337  -0.000005992
 H      0.635133      2.100040     -0.170194    0.00   0.000020867  -0.000003231  -0.000008453
 H     -0.210221      3.030349      1.079422    0.00   0.000024243  -0.000001441  -0.000011452
 H     -2.660151     -0.216570      0.336455    0.00   0.000019951  -0.000014431   0.000000824
 H     -1.046701      0.959496      2.165622    0.00   0.000025206  -0.000004184  -0.000007998
 H      0.692884      0.793177      1.912111    0.00   0.000026846  -0.000010749  -0.000003268
 H     -0.786814      0.761857     -1.928395    0.00   0.000015528   0.000004796  -0.000000147
 O     -0.645722     -1.441318      1.541229    0.00  -0.000311521  -0.000403435  -0.001086021
 C     -1.989641     -1.630911     -1.147805    0.00   0.000182521  -0.000123382   0.000096520
 H     -1.959825     -2.524322     -0.511457    0.00  -0.000001874  -0.000034420  -0.000017042
 H     -2.958064     -1.621734     -1.659793    0.00   0.000003539  -0.000012641   0.000041999
 H     -1.212007     -1.761972     -1.915846    0.00   0.000033629   0.000018979   0.000000063
 H     -0.854328     -2.312820      1.122973    0.00   0.000122227   0.000098079   0.000054382
 O      0.761035     -0.560436     -0.080436    0.00   0.001043430   0.000747452  -0.001163876
 O      0.720498     -1.667805     -0.967869    0.00  -0.000813650   0.000345063   0.002467251
 C      1.434295     -2.699226     -0.244687    0.00   0.000868726  -0.001763217   0.002351882
 H      2.491137     -2.479336     -0.125765    0.00   0.000537225  -0.000373701   0.000775160
 O      0.785403     -3.639585      0.118772    0.00  -0.003362580   0.001964250  -0.002957703
26
 Energy =       -0.18891992567
 C     -0.275382      2.112069      0.464429    0.00   0.000224171  -0.000046868  -0.000090436
 C     -1.521327      2.163343     -0.429825    0.00   0.000169241  -0.000021821  -0.000054192
 C     -1.662349      0.879679     -1.257823    0.00   0.000176726  -0.000000997  -0.000003316
 C     -1.776821     -0.352442     -0.343325    0.00   0.000204497  -0.000087060   0.000002669
 C     -0.539559     -0.407979      0.577362    0.00   0.000314171  -0.000154544  -0.000271800
 C     -0.273185      0.881141      1.374378    0.00   0.000245885  -0.000102702  -0.000076788
 H     -2.547613      0.943516     -1.916351    0.00   0.000014584   0.000000009   0.000003380
 H     -2.426208      2.318411      0.188525    0.00   0.000015794  -0.000003764  -0.000004892
 H     -1.460861      3.038832     -1.104010    0.00   0.000013264   0.000001103  -0.000005220
 H      0.635162      2.099073     -0.170011    0.00   0.000018688  -0.000003040  -0.000007662
 H     -0.210153      3.029239      1.079749    0.00   0.000021614  -0.000001367  -0.000010205
 H     -2.660251     -0.217535      0.336009    0.00   0.000017324  -0.000014111   0.000000338
 H     -1.046606      0.958368      2.165765    0.00   0.000022166  -0.000003866  -0.000007369
 H      0.692910      0.791925      1.911897    0.00   0.000024161  -0.000010200  -0.000003025
 H     -0.786425      0.761305     -1.928250    0.00   0.000013803   0.000004114  -0.000000454
 O     -0.648625     -1.441659      1.542735    0.00  -0.000285440  -0.000369239  -0.000985133
 C     -1.989478     -1.631560     -1.148369    0.00   0.000163933  -0.000108971   0.000087520
 H     -1.961370     -2.524866     -0.511854    0.00  -0.000002670  -0.000031598  -0.000016475
 H     -2.957255     -1.621567     -1.661553    0.00   0.000003332  -0.000011608   0.000039434
 H     -1.210879     -1.763078     -1.915274    0.00   0.000030877   0.000018986  -0.000000132
 H     -0.847532     -2.315376      1.124223    0.00   0.000113115   0.000092114   0.000050417
 O      0.761603     -0.563342     -0.076716    0.00   0.000939811   0.000661554  -0.001082212
 O      0.724618     -1.663752     -0.972185    0.00  -0.000737711   0.000403164   0.002283629
 C      1.435914     -2.702616     -0.255229    0.00   0.000818896  -0.001699334   0.002126416
 H      2.498902     -2.499994     -0.163385    0.00   0.000513921  -0.000355030   0.000723768
 O      0.781373     -3.630804      0.128261    0.00  -0.003054153   0.001845077  -0.002698260
26
 Energy =      -0.188622979246
 C     -0.275382      2.111113      0.464571    0.00   0.000195673  -0.000043040  -0.000080101
 C     -1.521257      2.162656     -0.429725    0.00   0.000146031  -0.000020408  -0.000047566
 C     -1.662096      0.879039     -1.257819    0.00   0.000152167  -0.000003246  -0.000005477
 C     -1.776755     -0.353275     -0.343561    0.00   0.000174683  -0.000082644  -0.000003623
 C     -0.540147     -0.409565      0.577793    0.00   0.000272369  -0.000146146  -0.000249891
 C     -0.273285      0.880059      1.374340    0.00   0.000213329  -0.000094570  -0.000070212
 H     -2.547259      0.942940     -1.916476    0.00   0.000012426  -0.000000132   0.000002913
 H     -2.426182      2.317629      0.188579    0.00   0.000013512  -0.000003336  -0.000004235
 H     -1.460730      3.038216     -1.103797    0.00   0.000011535   0.000000884  -0.000004473
 H      0.635183      2.098134     -0.169833    0.00   0.000016451  -0.000002794  -0.000006826
 H     -0.210089      3.028168      1.080061    0.00   0.000018930  -0.000001274  -0.000008932
 H     -2.660407     -0.218471      0.335555    0.00   0.000014770  -0.000013557  -0.000000061
 H     -1.046529      0.957288      2.165908    0.00   0.000019136  -0.000003498  -0.000006689
 H      0.692914      0.790694      1.911676    0.00   0.000021382  -0.000009490  -0.000002758
 H     -0.786066      0.760769     -1.928104    0.00   0.000012074   0.000003463  -0.000000676
 O     -0.651485     -1.441992      1.544202    0.00  -0.000257566  -0.000331651  -0.000878283
 C     -1.989310     -1.632188     -1.148916    0.00   0.000145168  -0.000094363   0.000078287
 H     -1.962944     -2.525376     -0.512219    0.00  -0.000003208  -0.000028491  -0.000015557
 H     -2.956421     -1.621394     -1.663332    0.00   0.000003134  -0.000010474   0.000036334
 H     -1.209720     -1.764158     -1.914651    0.00   0.000027865   0.000018510  -0.000000224
 H     -0.840645     -2.317880      1.125537    0.00   0.000103408   0.000084998   0.000046170
 O      0.762064     -0.566211     -0.073042    0.00   0.000828071   0.000574956  -0.000988010
 O      0.728968     -1.659677     -0.976324    0.00  -0.000658270   0.000443379   0.002077843
 C      1.437234     -2.706240     -0.265795    0.00   0.000752385  -0.001608522   0.001890701
 H      2.505533     -2.521554     -0.201428    0.00   0.000484308  -0.000327469   0.000668974
 O      0.777597     -3.622054      0.137688    0.00  -0.002719763   0.001698915  -0.002427629
26
 Energy =      -0.188356083196
 C     -0.275391      2.110191      0.464707    0.00   0.000167053  -0.000038577  -0.000069392
 C     -1.521197      2.162001     -0.429632    0.00   0.000123332  -0.000018618  -0.000040872
 C     -1.661870      0.878426     -1.257814    0.00   0.000128158  -0.000004901  -0.000006880
 C     -1.776733     -0.354075     -0.343788    0.00   0.000145809  -0.000076672  -0.000008402
 C     -0.540779     -0.411109      0.578221    0.00   0.000230499  -0.000135200  -0.000224645
 C     -0.273408      0.879016      1.374299    0.00   0.000180909  -0.000084971  -0.000062775
 H     -2.546932      0.942400     -1.916599    0.00   0.000010345  -0.000000235   0.000002465
 H     -2.426162      2.316890      0.188627    0.00   0.000011315  -0.000002893  -0.000003589
 H     -1.460607      3.037626     -1.103598    0.00   0.000009816   0.000000684  -0.000003755
 H      0.635196      2.097220     -0.169660    0.00   0.000014169  -0.000002500  -0.000005940
 H     -0.210031      3.027134      1.080359    0.00   0.000016210  -0.000001159  -0.000007644
 H     -2.660622     -0.219377      0.335090    0.00   0.000012304  -0.000012725  -0.000000367
 H     -1.046471      0.956258      2.166052    0.00   0.000016148  -0.000003086  -0.000005951
 H      0.692898      0.789486      1.911448    0.00   0.000018516  -0.000008613  -0.000002458
 H     -0.785735      0.760249     -1.927956    0.00   0.000010342   0.000002844  -0.000000806
 O     -0.654304     -1.442315      1.545634    0.00  -0.000227884  -0.000290790  -0.000765915
 C     -1.989137     -1.632797     -1.149447    0.00   0.000126134  -0.000079732   0.000068715
 H     -1.964543     -2.525853     -0.512554    0.00  -0.000003485  -0.000025114  -0.000014284
 H     -2.955565     -1.621223     -1.665127    0.00   0.000002915  -0.000009247   0.000032686
 H     -1.208534     -1.765213     -1.913983    0.00   0.000024598   0.000017525  -0.000000219
 H     -0.833644     -2.320333      1.126915    0.00   0.000093016   0.000076547   0.000041519
 O      0.762416     -0.569035     -0.069418    0.00   0.000710096   0.000488708  -0.000881293
 O      0.733556     -1.655587     -0.980275    0.00  -0.000576397   0.000461535   0.001849562
 C      1.438238     -2.710086     -0.276386    0.00   0.000669079  -0.001487258   0.001646275
 H      2.510956     -2.543979     -0.239873    0.00   0.000448239  -0.000289910   0.000611128
 O      0.774080     -3.613346      0.147047    0.00  -0.002361237   0.001524358  -0.002147162
26
 Energy =       -0.18812215132
 C     -0.275408      2.109302      0.464835    0.00   0.000138478  -0.000033506  -0.000058340
 C     -1.521148      2.161374     -0.429546    0.00   0.000101197  -0.000016447  -0.000034139
 C     -1.661670      0.877839     -1.257807    0.00   0.000104780  -0.000005920  -0.000007535
 C     -1.776754     -0.354845     -0.344006    0.00   0.000118059  -0.000068993  -0.000011537
 C     -0.541454     -0.412611      0.578646    0.00   0.000188979  -0.000121528  -0.000195863
 C     -0.273554      0.878011      1.374258    0.00   0.000148905  -0.000073958  -0.000054404
 H     -2.546631      0.941893     -1.916722    0.00   0.000008353  -0.000000300   0.000002029
 H     -2.426150      2.316189      0.188671    0.00   0.000009207  -0.000002434  -0.000002959
 H     -1.460489      3.037060     -1.103413    0.00   0.000008112   0.000000506  -0.000003065
 H      0.635201      2.096331     -0.169492    0.00   0.000011847  -0.000002163  -0.000005010
 H     -0.209978      3.026136      1.080642    0.00   0.000013476  -0.000001020  -0.000006347
 H     -2.660889     -0.220256      0.334614    0.00   0.000009943  -0.000011577  -0.000000570
 H     -1.046430      0.955276      2.166197    0.00   0.000013226  -0.000002639  -0.000005149
 H      0.692863      0.788298      1.911214    0.00   0.000015575  -0.000007569  -0.000002119
 H     -0.785432      0.759745     -1.927806    0.00   0.000008614   0.000002256  -0.000000845
 O     -0.657080     -1.442627      1.547028    0.00  -0.000196347  -0.000246786  -0.000648513
 C     -1.988956     -1.633390     -1.149962    0.00   0.000106726  -0.000065262   0.000058689
 H     -1.966162     -2.526302     -0.512859    0.00  -0.000003500  -0.000021474  -0.000012659
 H     -2.954684     -1.621054     -1.666934    0.00   0.000002650  -0.000007933   0.000028481
 H     -1.207324     -1.766242     -1.913275    0.00   0.000021082   0.000016018  -0.000000128
 H     -0.826508     -2.322740      1.128358    0.00   0.000081820   0.000066550   0.000036340
 O      0.762659     -0.571802     -0.065848    0.00   0.000587921   0.000403832  -0.000762239
 O      0.738386     -1.651487     -0.984031    0.00  -0.000493490   0.000453423   0.001598669
 C      1.438909     -2.714139     -0.286999    0.00   0.000569549  -0.001332000   0.001395099
 H      2.515099     -2.567216     -0.278699    0.00   0.000405760  -0.000241253   0.000550702
 O      0.770826     -3.604693      0.156333    0.00  -0.001980922   0.001320176  -0.001858588
26
 Energy =      -0.187924157859
 C     -0.275434      2.108443      0.464957    0.00   0.000110090  -0.000027868  -0.000046986
 C     -1.521107      2.160777     -0.429465    0.00   0.000079674  -0.000013892  -0.000027389
 C     -1.661494      0.877277     -1.257801    0.00   0.000082093  -0.000006270  -0.000007461
 C     -1.776815     -0.355584     -0.344216    0.00   0.000091573  -0.000059489  -0.000012954
 C     -0.542171     -0.414071      0.579068    0.00   0.000148180  -0.000104981  -0.000163403
 C     -0.273719      0.877043      1.374217    0.00   0.000117567  -0.000061594  -0.000045066
 H     -2.546354      0.941419     -1.916844    0.00   0.000006459  -0.000000325   0.000001606
 H     -2.426144      2.315527      0.188711    0.00   0.000007190  -0.000001960  -0.000002346
 H     -1.460379      3.036518     -1.103240    0.00   0.000006427   0.000000352  -0.000002405
 H      0.635201      2.095468     -0.169328    0.00   0.000009500  -0.000001794  -0.000004034
 H     -0.209930      3.025174      1.080912    0.00   0.000010744  -0.000000857  -0.000005046
 H     -2.661210     -0.221110      0.334126    0.00   0.000007697  -0.000010082  -0.000000670
 H     -1.046404      0.954340      2.166346    0.00   0.000010392  -0.000002167  -0.000004281
 H      0.692808      0.787131      1.910975    0.00   0.000012566  -0.000006356  -0.000001737
 H     -0.785154      0.759256     -1.927655    0.00   0.000006898   0.000001703  -0.000000795
 O     -0.659813     -1.442928      1.548383    0.00  -0.000162905  -0.000199804  -0.000526605
 C     -1.988766     -1.633966     -1.150463    0.00   0.000086833  -0.000051135   0.000048070
 H     -1.967794     -2.526723     -0.513137    0.00  -0.000003254  -0.000017585  -0.000010683
 H     -2.953783     -1.620892     -1.668748    0.00   0.000002313  -0.000006542   0.000023716
 H     -1.206093     -1.767245     -1.912534    0.00   0.000017325   0.000013989   0.000000035
 H     -0.819218     -2.325101      1.129869    0.00   0.000069714   0.000054777   0.000030509
 O      0.762793     -0.574504     -0.062337    0.00   0.000463659   0.000321301  -0.000631230
 O      0.743464     -1.647385     -0.987584    0.00  -0.000411249   0.000414990   0.001325282
 C      1.439232     -2.718384     -0.297631    0.00   0.000455108  -0.001139300   0.001139552
 H      2.517894     -2.591207     -0.317872    0.00   0.000357146  -0.000180497   0.000488309
 O      0.767838     -3.596107      0.165539    0.00  -0.001581741   0.001085383  -0.001563989
26
 Energy =      -0.187765100227
 C     -0.275467      2.107614      0.465071    0.00   0.000082013  -0.000021712  -0.000035359
 C     -1.521074      2.160204     -0.429391    0.00   0.000058773  -0.000010960  -0.000020659
 C     -1.661341      0.876737     -1.257796    0.00   0.000060134  -0.000005931  -0.000006684
 C     -1.776915     -0.356296     -0.344421    0.00   0.000066433  -0.000048079  -0.000012646
 C     -0.542928     -0.415490      0.579487    0.00   0.000108390  -0.000085447  -0.000127217
 C     -0.273905      0.876113      1.374178    0.00   0.000087078  -0.000047973  -0.000034807
 H     -2.546100      0.940975     -1.916964    0.00   0.000004671  -0.000000309   0.000001194
 H     -2.426145      2.314898      0.188748    0.00   0.000005266  -0.000001470  -0.000001749
 H     -1.460277      3.035999     -1.103077    0.00   0.000004766   0.000000225  -0.000001777
 H      0.635193      2.094628     -0.169168    0.00   0.000007145  -0.000001401  -0.000003017
 H     -0.209886      3.024248      1.081168    0.00   0.000008029  -0.000000667  -0.000003745
 H     -2.661582     -0.221942      0.333626    0.00   0.000005568  -0.000008212  -0.000000664
 H     -1.046395      0.953449      2.166496    0.00   0.000007654  -0.000001676  -0.000003345
 H      0.692737      0.785985      1.910732    0.00   0.000009490  -0.000004980  -0.000001314
 H     -0.784902      0.758785     -1.927506    0.00   0.000005202   0.000001193  -0.000000661
 O     -0.662504     -1.443218      1.549701    0.00  -0.000127489  -0.000150022  -0.000400756
 C     -1.988566     -1.634528     -1.150949    0.00   0.000066334  -0.000037525   0.000036702
 H     -1.969433     -2.527118     -0.513389    0.00  -0.000002757  -0.000013455  -0.000008360
 H     -2.952864     -1.620741     -1.670562    0.00   0.000001891  -0.000005076   0.000018389
 H     -1.204849     -1.768222     -1.911767    0.00   0.000013329   0.000011443   0.000000252
 H     -0.811757     -2.327420      1.131449    0.00   0.000056589   0.000040961   0.000023913
 O      0.762823     -0.577133     -0.058887    0.00   0.000339485   0.000241960  -0.000488923
 O      0.748793     -1.643289     -0.990929    0.00  -0.000331653   0.000342538   0.001029876
 C      1.439191     -2.722799     -0.308280    0.00   0.000328032  -0.000906214   0.000882453
 H      2.519268     -2.615882     -0.357355    0.00   0.000302924  -0.000106632   0.000424754
 O      0.765117     -3.587597      0.174660    0.00  -0.001167296   0.000819423  -0.001265849
26
 Energy =      -0.187647958122
 C     -0.275508      2.106814      0.465179    0.00   0.000054337  -0.000015086  -0.000023493
 C     -1.521052      2.159658     -0.429321    0.00   0.000038451  -0.000007672  -0.000014001
 C     -1.661210      0.876220     -1.257790    0.00   0.000038905  -0.000004865  -0.000005238
 C     -1.777051     -0.356980     -0.344621    0.00   0.000042660  -0.000034691  -0.000010642
 C     -0.543723     -0.416871      0.579902    0.00   0.000069938  -0.000062780  -0.000087596
 C     -0.274109      0.875216      1.374137    0.00   0.000057454  -0.000033234  -0.000023679
 H     -2.545867      0.940561     -1.917085    0.00   0.000002991  -0.000000262   0.000000807
 H     -2.426151      2.314300      0.188785    0.00   0.000003434  -0.000000965  -0.000001182
 H     -1.460185      3.035501     -1.102923    0.00   0.000003119   0.000000126  -0.000001185
 H      0.635180      2.093811     -0.169013    0.00   0.000004805  -0.000001009  -0.000001968
 H     -0.209844      3.023354      1.081411    0.00   0.000005345  -0.000000449  -0.000002427
 H     -2.662000     -0.222750      0.333114    0.00   0.000003547  -0.000005950  -0.000000554
 H     -1.046402      0.952599      2.166647    0.00   0.000005013  -0.000001194  -0.000002337
 H      0.692647      0.784857      1.910487    0.00   0.000006344  -0.000003459  -0.000000869
 H     -0.784674      0.758331     -1.927357    0.00   0.000003546   0.000000743  -0.000000442
 O     -0.665154     -1.443497      1.550977    0.00  -0.000088799  -0.000098852  -0.000271423
 C     -1.988356     -1.635075     -1.151421    0.00   0.000045146  -0.000024707   0.000024364
 H     -1.971061     -2.527488     -0.513615    0.00  -0.000002148  -0.000009085  -0.000005550
 H     -2.951936     -1.620608     -1.672362    0.00   0.000001445  -0.000003361   0.000012507
 H     -1.203602     -1.769166     -1.910984    0.00   0.000009032   0.000008403   0.000000314
 H     -0.804110     -2.329695      1.133104    0.00   0.000041160   0.000025854   0.000016435
 O      0.762752     -0.579684     -0.055500    0.00   0.000217243   0.000166884  -0.000336325
 O      0.754374     -1.639211     -0.994064    0.00  -0.000256136   0.000232680   0.000713925
 C      1.438769     -2.727365     -0.318938    0.00   0.000192306  -0.000627587   0.000628037
 H      2.519151     -2.641170     -0.397102    0.00   0.000242646  -0.000022291   0.000357956
 O      0.762668     -3.579170      0.183689    0.00  -0.000741783   0.000522809  -0.000965436
26
 Energy =      -0.187575594586
 C     -0.275507      2.106037      0.465235    0.00   0.000027202  -0.000005170  -0.000006603
 C     -1.521054      2.159130     -0.429224    0.00   0.000018617  -0.000005181  -0.000005605
 C     -1.661101      0.875738     -1.257789    0.00   0.000018955  -0.000007509  -0.000001550
 C     -1.777294     -0.357600     -0.344786    0.00   0.000012189  -0.000021861  -0.000021207
 C     -0.544587     -0.418223      0.580298    0.00   0.000021177  -0.000034452  -0.000045010
 C     -0.274342      0.874351      1.374067    0.00   0.000028756  -0.000017673  -0.000011494
 H     -2.545576      0.940201     -1.917310    0.00   0.000001925  -0.000000408   0.000004523
 H     -2.426128      2.313626      0.188955    0.00   0.000003874   0.000001763  -0.000001983
 H     -1.460255      3.035058     -1.102701    0.00   0.000000348  -0.000002185  -0.000002548
 H      0.635192      2.092993     -0.168923    0.00   0.000001829   0.000001004  -0.000000809
 H     -0.209740      3.022486      1.081596    0.00   0.000001900  -0.000001103  -0.000002534
 H     -2.662522     -0.223413      0.332604    0.00  -0.000001992  -0.000002612   0.000002486
 H     -1.046510      0.951854      2.166693    0.00  -0.000000723  -0.000002728   0.000000260
 H      0.692473      0.783703      1.910297    0.00   0.000004590  -0.000001706  -0.000003316
 H     -0.784411      0.757912     -1.927125    0.00  -0.000001900   0.000001555  -0.000004108
 O     -0.667740     -1.443799      1.552182    0.00  -0.000044269  -0.000039018  -0.000134237
 C     -1.988180     -1.635605     -1.151802    0.00   0.000024027  -0.000010893   0.000012338
 H     -1.972402     -2.527836     -0.513746    0.00  -0.000000173  -0.000003513  -0.000002152
 H     -2.951159     -1.620658     -1.673857    0.00   0.000000562  -0.000001839   0.000005812
 H     -1.202535     -1.769941     -1.910280    0.00   0.000003679   0.000003981  -0.000000142
 H     -0.796670     -2.331905      1.134784    0.00   0.000026155   0.000002777   0.000005457
 O      0.762559     -0.582211     -0.052170    0.00   0.000114555   0.000085832  -0.000182999
 O      0.760373     -1.635136     -0.997058    0.00  -0.000187945   0.000092493   0.000388634
 C      1.437985     -2.732061     -0.329558    0.00   0.000057858  -0.000324458   0.000383648
 H      2.517577     -2.666906     -0.436706    0.00   0.000179429   0.000091123   0.000296477
 O      0.760440     -3.570803      0.192614    0.00  -0.000310626   0.000201781  -0.000673339
26
 Energy =      -0.187551122136
 C     -0.229410      2.047598      0.478424    0.00   0.000001042   0.000002707   0.000005468
 C     -1.474892      2.100927     -0.416077    0.00   0.000000037  -0.000000982   0.000001206
 C     -1.614855      0.817560     -1.244694    0.00   0.000000165  -0.000004857   0.000001448
 C     -1.731352     -0.415937     -0.331887    0.00  -0.000008409  -0.000003077  -0.000014302
 C     -0.499316     -0.477222      0.593800    0.00  -0.000011463   0.000002295  -0.000000261
 C     -0.228427      0.815831      1.387119    0.00   0.000000469  -0.000000477   0.000000681
 H     -2.499229      0.882142     -1.904343    0.00   0.000000433  -0.000000282   0.000004084
 H     -2.379993      2.255389      0.202069    0.00   0.000002256   0.000002287  -0.000001448
 H     -1.414021      2.976896     -1.089482    0.00  -0.000001202  -0.000002228  -0.000002035
 H      0.681324      2.034539     -0.155675    0.00  -0.000000517   0.000001489   0.000000127
 H     -0.163569      2.963963      1.094909    0.00  -0.000000683  -0.000000859  -0.000001283
 H     -2.616894     -0.281889      0.345147    0.00  -0.000003696   0.000000699   0.000002838
 H     -1.000384      0.893388      2.179946    0.00  -0.000003137  -0.000002010   0.000001599
 H      0.738509      0.724912      1.923131    0.00   0.000001541   0.000000001  -0.000002886
 H     -0.738073      0.699788     -1.913889    0.00  -0.000003857   0.000001182  -0.000003948
 O     -0.624147     -1.501735      1.566477    0.00   0.000008394   0.000001833   0.000007347
 C     -1.941783     -1.693830     -1.139164    0.00   0.000001310   0.000001417  -0.000000150
 H     -1.927949     -2.585861     -0.500836    0.00   0.000001071   0.000001421   0.000000904
 H     -2.904005     -1.678228     -1.662622    0.00   0.000000127   0.000000269  -0.000000952
 H     -1.155082     -1.828567     -1.896344    0.00  -0.000001321  -0.000001347  -0.000001006
 H     -0.742271     -2.391788      1.149789    0.00  -0.000001629  -0.000003475  -0.000002836
 O      0.808400     -0.642252     -0.035851    0.00   0.000010914  -0.000010914  -0.000006075
 O      0.812724     -1.688850     -0.986559    0.00   0.000003209   0.000015608   0.000011784
 C      1.482674     -2.794595     -0.327159    0.00   0.000003847  -0.000005621   0.000003304
 H      2.559626     -2.750993     -0.463840    0.00   0.000000010   0.000002230  -0.000000919
 O      0.804853     -3.620348      0.214479    0.00   0.000001088   0.000002692  -0.000002688
26
 Energy =      -0.187576074297
 C     -0.275617      2.104571      0.465428    0.00  -0.000025375   0.000010291   0.000017336
 C     -1.521034      2.158135     -0.429113    0.00  -0.000018561   0.000003172   0.000007706
 C     -1.660914      0.874793     -1.257785    0.00  -0.000019071  -0.000001628   0.000003976
 C     -1.777715     -0.358862     -0.345172    0.00  -0.000027999   0.000015291  -0.000009574
 C     -0.546349     -0.420811      0.581117    0.00  -0.000047552   0.000024925   0.000050123
 C     -0.274816      0.872722      1.373987    0.00  -0.000024180   0.000017073   0.000014389
 H     -2.545187      0.939494     -1.917560    0.00  -0.000000808  -0.000000086   0.000003696
 H     -2.426163      2.312562      0.188998    0.00   0.000000605   0.000002814  -0.000000846
 H     -1.460092      3.034145     -1.102448    0.00  -0.000002703  -0.000002216  -0.000001434
 H      0.635152      2.091497     -0.168612    0.00  -0.000002759   0.000001892   0.000001389
 H     -0.209701      3.020851      1.082038    0.00  -0.000003247  -0.000000534  -0.000000051
 H     -2.663570     -0.224953      0.331505    0.00  -0.000005403   0.000003833   0.000003181
 H     -1.046563      0.950334      2.167015    0.00  -0.000005414  -0.000001735   0.000002562
 H      0.692241      0.781533      1.909781    0.00  -0.000001912   0.000002123  -0.000002288
 H     -0.784039      0.757075     -1.926837    0.00  -0.000004976   0.000000893  -0.000003380
 O     -0.672859     -1.444260      1.554589    0.00   0.000041881   0.000075445   0.000134724
 C     -1.987691     -1.636644     -1.152711    0.00  -0.000022395   0.000011655  -0.000016328
 H     -1.975801     -2.528475     -0.514110    0.00   0.000002358   0.000005978   0.000004327
 H     -2.949155     -1.620386     -1.677572    0.00  -0.000001337   0.000001356  -0.000008035
 H     -1.199934     -1.771783     -1.908592    0.00  -0.000005557  -0.000004114   0.000000551
 H     -0.780176     -2.336259      1.138609    0.00  -0.000009108  -0.000039962  -0.000014159
 O      0.761937     -0.586880     -0.045715    0.00  -0.000101640  -0.000046746   0.000162635
 O      0.772771     -1.627152     -1.002244    0.00  -0.000060256  -0.000308472  -0.000331647
 C      1.435058     -2.741717     -0.350944    0.00  -0.000254477   0.000431851  -0.000096083
 H      2.509370     -2.719669     -0.517159    0.00   0.000036580   0.000323985   0.000162933
 O      0.756963     -3.554481      0.210161    0.00   0.000563306  -0.000527085  -0.000085702
26
 Energy =      -0.187653631006
 C     -0.275711      2.103868      0.465549    0.00  -0.000050993   0.000015651   0.000024473
 C     -1.521008      2.157662     -0.429094    0.00  -0.000036479   0.000009017   0.000012557
 C     -1.660844      0.874322     -1.257777    0.00  -0.000037557   0.000007128   0.000005674
 C     -1.777893     -0.359511     -0.345384    0.00  -0.000038682   0.000039268   0.000011548
 C     -0.547238     -0.422067      0.581535    0.00  -0.000068301   0.000054912   0.000101735
 C     -0.275035      0.871945      1.373962    0.00  -0.000048852   0.000035768   0.000027375
 H     -2.545103      0.939142     -1.917572    0.00  -0.000002471   0.000000430  -0.000000770
 H     -2.426209      2.312166      0.188888    0.00  -0.000003133   0.000001151   0.000001054
 H     -1.459864      3.033670     -1.102411    0.00  -0.000003050   0.000000051   0.000001036
 H      0.635107      2.090797     -0.168423    0.00  -0.000004365   0.000000746   0.000002439
 H     -0.209732      3.020070      1.082277    0.00  -0.000004942   0.000000705   0.000002597
 H     -2.664084     -0.225829      0.330938    0.00  -0.000003389   0.000006864   0.000000731
 H     -1.046481      0.949548      2.167282    0.00  -0.000004496   0.000000707   0.000002141
 H      0.692210      0.780503      1.909435    0.00  -0.000006667   0.000004205   0.000001125
 H     -0.783945      0.756648     -1.926785    0.00  -0.000002609  -0.000000530   0.000000970
 O     -0.675408     -1.444420      1.555802    0.00   0.000078370   0.000133990   0.000263955
 C     -1.987395     -1.637164     -1.153217    0.00  -0.000048415   0.000020886  -0.000033578
 H     -1.977838     -2.528772     -0.514319    0.00   0.000003192   0.000009921   0.000007005
 H     -2.947965     -1.620088     -1.679733    0.00  -0.000002603   0.000002529  -0.000015427
 H     -1.198445     -1.772856     -1.907614    0.00  -0.000009375  -0.000007579   0.000002209
 H     -0.771111     -2.338404      1.140800    0.00  -0.000023874  -0.000063529  -0.000022217
 O      0.761531     -0.589052     -0.042576    0.00  -0.000210011  -0.000098348   0.000346920
 O      0.779193     -1.623239     -1.004504    0.00  -0.000017401  -0.000573802  -0.000714764
 C      1.432893     -2.746616     -0.361678    0.00  -0.000407329   0.000858369  -0.000333481
 H      2.502711     -2.746368     -0.557563    0.00  -0.000035144   0.000463694   0.000101682
 O      0.755679     -3.546497      0.218766    0.00   0.000988575  -0.000922203   0.000203013
26
 Energy =       -0.18778528914
 C     -0.275782      2.103195      0.465641    0.00  -0.000075402   0.000024229   0.000036016
 C     -1.521008      2.157204     -0.429053    0.00  -0.000053323   0.000013950   0.000019250
 C     -1.660778      0.873886     -1.257782    0.00  -0.000054368   0.000011721   0.000009192
 C     -1.778155     -0.360102     -0.345581    0.00  -0.000055375   0.000062238   0.000019964
 C     -0.548182     -0.423287      0.581935    0.00  -0.000098688   0.000090812   0.000155048
 C     -0.275296      0.871203      1.373922    0.00  -0.000071836   0.000055049   0.000041187
 H     -2.544940      0.938838     -1.917700    0.00  -0.000003533   0.000000695  -0.000001209
 H     -2.426239      2.311684      0.188893    0.00  -0.000004611   0.000001686   0.000001636
 H     -1.459791      3.033247     -1.102307    0.00  -0.000004410   0.000000135   0.000001614
 H      0.635081      2.090123     -0.168258    0.00  -0.000006554   0.000001213   0.000003529
 H     -0.209745      3.019320      1.082486    0.00  -0.000007341   0.000001038   0.000003749
 H     -2.664686     -0.226578      0.330348    0.00  -0.000004845   0.000010908   0.000001215
 H     -1.046524      0.948855      2.167451    0.00  -0.000006559   0.000001209   0.000003368
 H      0.692075      0.779459      1.909171    0.00  -0.000009943   0.000006374   0.000001692
 H     -0.783795      0.756269     -1.926654    0.00  -0.000003956  -0.000000760   0.000001431
 O     -0.677886     -1.444601      1.556930    0.00   0.000127452   0.000194519   0.000399347
 C     -1.987106     -1.637664     -1.153668    0.00  -0.000073464   0.000029821  -0.000050103
 H     -1.979592     -2.529048     -0.514477    0.00   0.000004553   0.000014722   0.000010828
 H     -2.946886     -1.619951     -1.681650    0.00  -0.000003906   0.000004393  -0.000022985
 H     -1.197098     -1.773764     -1.906736    0.00  -0.000014266  -0.000012149   0.000002300
 H     -0.762187     -2.340460      1.143032    0.00  -0.000044832  -0.000091052  -0.000034473
 O      0.761028     -0.591144     -0.039513    0.00  -0.000296413  -0.000156737   0.000527676
 O      0.785958     -1.619394     -1.006550    0.00   0.000014025  -0.000869208  -0.001101141
 C      1.430321     -2.751574     -0.372366    0.00  -0.000554555   0.001331672  -0.000552950
 H      2.494368     -2.773318     -0.597965    0.00  -0.000103688   0.000613364   0.000046082
 O      0.754665     -3.538646      0.227252    0.00   0.001405838  -0.001339841   0.000477737
26
 Energy =      -0.187972404079
 C     -0.275854      2.102537      0.465724    0.00  -0.000099027   0.000032977   0.000047477
 C     -1.521014      2.156758     -0.429011    0.00  -0.000069816   0.000019172   0.000025803
 C     -1.660725      0.873460     -1.257789    0.00  -0.000070559   0.000017016   0.000012896
 C     -1.778435     -0.360680     -0.345780    0.00  -0.000071690   0.000086257   0.000028319
 C     -0.549140     -0.424487      0.582327    0.00  -0.000128016   0.000128088   0.000209103
 C     -0.275563      0.870481      1.373878    0.00  -0.000093781   0.000074478   0.000054596
 H     -2.544792      0.938551     -1.917829    0.00  -0.000004488   0.000001010  -0.000001561
 H     -2.426271      2.311216      0.188902    0.00  -0.000006033   0.000002240   0.000002190
 H     -1.459730      3.032837     -1.102206    0.00  -0.000005758   0.000000248   0.000002171
 H      0.635054      2.089460     -0.168101    0.00  -0.000008632   0.000001641   0.000004609
 H     -0.209754      3.018588      1.082684    0.00  -0.000009651   0.000001411   0.000004918
 H     -2.665309     -0.227320      0.329753    0.00  -0.000006321   0.000015156   0.000001707
 H     -1.046574      0.948179      2.167615    0.00  -0.000008625   0.000001710   0.000004578
 H      0.691932      0.778423      1.908905    0.00  -0.000013204   0.000008598   0.000002230
 H     -0.783662      0.755904     -1.926530    0.00  -0.000005188  -0.000000860   0.000001864
 O     -0.680342     -1.444766      1.558026    0.00   0.000177153   0.000257284   0.000532734
 C     -1.986806     -1.638159     -1.154109    0.00  -0.000099673   0.000038063  -0.000068094
 H     -1.981324     -2.529315     -0.514616    0.00   0.000006196   0.000019621   0.000014591
 H     -2.945805     -1.619840     -1.683542    0.00  -0.000005440   0.000006026  -0.000030874
 H     -1.195770     -1.774658     -1.905870    0.00  -0.000019229  -0.000016817   0.000002551
 H     -0.753007     -2.342470      1.145397    0.00  -0.000065195  -0.000122702  -0.000047426
 O      0.760473     -0.593146     -0.036510    0.00  -0.000371500  -0.000211968   0.000706709
 O      0.792955     -1.615622     -1.008395    0.00   0.000030130  -0.001199491  -0.001489615
 C      1.427303     -2.756535     -0.383029    0.00  -0.000687372   0.001842625  -0.000748620
 H      2.484301     -2.800305     -0.638263    0.00  -0.000169577   0.000772780  -0.000004253
 O      0.753913     -3.530900      0.235608    0.00   0.001805294  -0.001774562   0.000731397
26
 Energy =      -0.188215767103
 C     -0.275929      2.101892      0.465801    0.00  -0.000121842   0.000041907   0.000058702
 C     -1.521026      2.156321     -0.428974    0.00  -0.000085909   0.000024686   0.000032306
 C     -1.660684      0.873045     -1.257799    0.00  -0.000086153   0.000022873   0.000016649
 C     -1.778727     -0.361247     -0.345982    0.00  -0.000087748   0.000110963   0.000036275
 C     -0.550110     -0.425672      0.582708    0.00  -0.000156582   0.000166219   0.000262639
 C     -0.275834      0.869778      1.373829    0.00  -0.000114767   0.000094026   0.000067429
 H     -2.544660      0.938277     -1.917954    0.00  -0.000005357   0.000001364  -0.000001851
 H     -2.426306      2.310758      0.188912    0.00  -0.000007412   0.000002811   0.000002739
 H     -1.459677      3.032435     -1.102108    0.00  -0.000007065   0.000000400   0.000002725
 H      0.635025      2.088814     -0.167948    0.00  -0.000010598   0.000002042   0.000005661
 H     -0.209766      3.017871      1.082874    0.00  -0.000011876   0.000001817   0.000006087
 H     -2.665949     -0.228058      0.329148    0.00  -0.000007831   0.000019518   0.000002187
 H     -1.046629      0.947516      2.167774    0.00  -0.000010685   0.000002257   0.000005772
 H      0.691785      0.777400      1.908635    0.00  -0.000016418   0.000010834   0.000002756
 H     -0.783546      0.755554     -1.926416    0.00  -0.000006291  -0.000000854   0.000002262
 O     -0.682779     -1.444914      1.559092    0.00   0.000228699   0.000320900   0.000663360
 C     -1.986493     -1.638652     -1.154547    0.00  -0.000126753   0.000045494  -0.000087358
 H     -1.983046     -2.529572     -0.514745    0.00   0.000007904   0.000024528   0.000018386
 H     -2.944714     -1.619747     -1.685426    0.00  -0.000007113   0.000007610  -0.000038926
 H     -1.194448     -1.775546     -1.905012    0.00  -0.000024261  -0.000021464   0.000002759
 H     -0.743555     -2.344423      1.147914    0.00  -0.000086009  -0.000157296  -0.000060916
 O      0.759879     -0.595056     -0.033564    0.00  -0.000435813  -0.000264816   0.000881030
 O      0.800164     -1.611931     -1.010040    0.00   0.000028151  -0.001560434  -0.001874582
 C      1.423840     -2.761484     -0.393663    0.00  -0.000800747   0.002384929  -0.000918395
 H      2.472503     -2.827238     -0.678409    0.00  -0.000230072   0.000940735  -0.000046924
 O      0.753424     -3.523268      0.243832    0.00   0.002182549  -0.002221049   0.000959229
26
 Energy =      -0.188515539046
 C     -0.276007      2.101261      0.465874    0.00  -0.000143800   0.000050999   0.000069602
 C     -1.521041      2.155892     -0.428938    0.00  -0.000101605   0.000030481   0.000038772
 C     -1.660652      0.872638     -1.257812    0.00  -0.000101187   0.000029227   0.000020347
 C     -1.779026     -0.361808     -0.346191    0.00  -0.000103786   0.000136005   0.000043416
 C     -0.551087     -0.426841      0.583081    0.00  -0.000184708   0.000204508   0.000314553
 C     -0.276109      0.869090      1.373775    0.00  -0.000134855   0.000113559   0.000079468
 H     -2.544542      0.938015     -1.918079    0.00  -0.000006156   0.000001754  -0.000002080
 H     -2.426345      2.310310      0.188922    0.00  -0.000008760   0.000003398   0.000003291
 H     -1.459631      3.032041     -1.102014    0.00  -0.000008328   0.000000595   0.000003287
 H      0.634994      2.088184     -0.167799    0.00  -0.000012447   0.000002421   0.000006675
 H     -0.209782      3.017171      1.083056    0.00  -0.000014011   0.000002254   0.000007247
 H     -2.666600     -0.228797      0.328534    0.00  -0.000009404   0.000023908   0.000002633
 H     -1.046688      0.946863      2.167929    0.00  -0.000012753   0.000002869   0.000006936
 H      0.691634      0.776385      1.908364    0.00  -0.000019551   0.000013053   0.000003265
 H     -0.783446      0.755219     -1.926311    0.00  -0.000007258  -0.000000746   0.000002611
 O     -0.685200     -1.445045      1.560131    0.00   0.000281962   0.000385035   0.000790302
 C     -1.986164     -1.639144     -1.154985    0.00  -0.000154568   0.000052220  -0.000107772
 H     -1.984759     -2.529822     -0.514865    0.00   0.000009628   0.000029383   0.000022150
 H     -2.943609     -1.619670     -1.687308    0.00  -0.000008911   0.000009146  -0.000047046
 H     -1.193131     -1.776432     -1.904166    0.00  -0.000029329  -0.000025995   0.000002906
 H     -0.733821     -2.346315      1.150596    0.00  -0.000107021  -0.000194597  -0.000074683
 O      0.759258     -0.596872     -0.030674    0.00  -0.000489826  -0.000316714   0.001047486
 O      0.807569     -1.608327     -1.011493    0.00   0.000007452  -0.001945437  -0.002250210
 C      1.419925     -2.766402     -0.404264    0.00  -0.000890620   0.002951249  -0.001059484
 H      2.458973     -2.854031     -0.718344    0.00  -0.000283417   0.001114548  -0.000080960
 O      0.753199     -3.515750      0.251922    0.00   0.002533258  -0.002673124   0.001157287
26
 Energy =      -0.188871181157
 C     -0.276087      2.100640      0.465943    0.00  -0.000164858   0.000060214   0.000080104
 C     -1.521060      2.155469     -0.428904    0.00  -0.000116935   0.000036556   0.000045216
 C     -1.660628      0.872238     -1.257829    0.00  -0.000115712   0.000036015   0.000023881
 C     -1.779331     -0.362364     -0.346406    0.00  -0.000120103   0.000160966   0.000049301
 C     -0.552066     -0.428000      0.583442    0.00  -0.000212625   0.000242233   0.000363625
 C     -0.276386      0.868417      1.373716    0.00  -0.000154133   0.000132943   0.000090493
 H     -2.544438      0.937762     -1.918201    0.00  -0.000006896   0.000002181  -0.000002245
 H     -2.426386      2.309867      0.188931    0.00  -0.000010085   0.000004002   0.000003845
 H     -1.459594      3.031654     -1.101924    0.00  -0.000009544   0.000000836   0.000003866
 H      0.634962      2.087569     -0.167653    0.00  -0.000014174   0.000002783   0.000007640
 H     -0.209802      3.016482      1.083235    0.00  -0.000016050   0.000002722   0.000008394
 H     -2.667258     -0.229539      0.327914    0.00  -0.000011072   0.000028239   0.000003021
 H     -1.046750      0.946214      2.168079    0.00  -0.000014841   0.000003558   0.000008051
 H      0.691481      0.775379      1.908089    0.00  -0.000022578   0.000015227   0.000003745
 H     -0.783360      0.754898     -1.926217    0.00  -0.000008088  -0.000000540   0.000002893
 O     -0.687609     -1.445157      1.561145    0.00   0.000336676   0.000449331   0.000912663
 C     -1.985820     -1.639636     -1.155424    0.00  -0.000182973   0.000058381  -0.000129218
 H     -1.986465     -2.530067     -0.514980    0.00   0.000011320   0.000034127   0.000025816
 H     -2.942489     -1.619607     -1.689190    0.00  -0.000010818   0.000010629  -0.000055140
 H     -1.191818     -1.777320     -1.903331    0.00  -0.000034400  -0.000030324   0.000002978
 H     -0.723801     -2.348136      1.153459    0.00  -0.000127849  -0.000234326  -0.000088449
 O      0.758622     -0.598596     -0.027834    0.00  -0.000534137  -0.000369432   0.001203006
 O      0.815156     -1.604816     -1.012758    0.00  -0.000031433  -0.002346451  -0.002610579
 C      1.415558     -2.771273     -0.414823    0.00  -0.000953886   0.003533082  -0.001169568
 H      2.443725     -2.880598     -0.758006    0.00  -0.000328015   0.001291133  -0.000105550
 O      0.753234     -3.508348      0.259870    0.00   0.002853209  -0.003124084   0.001322211
26
 Energy =      -0.189281402211
 C     -0.276171      2.100028      0.466007    0.00  -0.000184970   0.000069512   0.000090132
 C     -1.521084      2.155048     -0.428874    0.00  -0.000131929   0.000042907   0.000051644
 C     -1.660612      0.871842     -1.257850    0.00  -0.000129790   0.000043172   0.000027139
 C     -1.779637     -0.362918     -0.346631    0.00  -0.000137004   0.000185406   0.000053464
 C     -0.553040     -0.429149      0.583790    0.00  -0.000240593   0.000278599   0.000408634
 C     -0.276663      0.867755      1.373651    0.00  -0.000172688   0.000152017   0.000100272
 H     -2.544345      0.937516     -1.918322    0.00  -0.000007596   0.000002640  -0.000002338
 H     -2.426432      2.309428      0.188940    0.00  -0.000011397   0.000004623   0.000004410
 H     -1.459563      3.031269     -1.101835    0.00  -0.000010710   0.000001123   0.000004459
 H      0.634928      2.086969     -0.167509    0.00  -0.000015770   0.000003131   0.000008549
 H     -0.209828      3.015803      1.083409    0.00  -0.000017991   0.000003221   0.000009525
 H     -2.667919     -0.230288      0.327284    0.00  -0.000012870   0.000032413   0.000003325
 H     -1.046816      0.945565      2.168221    0.00  -0.000016963   0.000004339   0.000009102
 H      0.691327      0.774382      1.907813    0.00  -0.000025462   0.000017324   0.000004190
 H     -0.783286      0.754589     -1.926135    0.00  -0.000008779  -0.000000231   0.000003095
 O     -0.690012     -1.445251      1.562134    0.00   0.000392552   0.000513391   0.001029574
 C     -1.985460     -1.640131     -1.155866    0.00  -0.000211818   0.000064134  -0.000151557
 H     -1.988164     -2.530307     -0.515091    0.00   0.000012934   0.000038698   0.000029316
 H     -2.941353     -1.619559     -1.691077    0.00  -0.000012814   0.000012052  -0.000063120
 H     -1.190506     -1.778214     -1.902509    0.00  -0.000039443  -0.000034375   0.000002964
 H     -0.713493     -2.349879      1.156518    0.00  -0.000148072  -0.000276105  -0.000101919
 O      0.757985     -0.600230     -0.025040    0.00  -0.000569628  -0.000424814   0.001344597
 O      0.822905     -1.601400     -1.013844    0.00  -0.000086818  -0.002754307  -0.002949667
 C      1.410739     -2.776082     -0.425334    0.00  -0.000988445   0.004120840  -0.001246921
 H      2.426772     -2.906859     -0.797334    0.00  -0.000362534   0.001467081  -0.000120118
 O      0.753528     -3.501059      0.267676    0.00   0.003138599  -0.003566793   0.001451251
26
 Energy =      -0.189744121853
 C     -0.276258      2.099423      0.466067    0.00  -0.000204078   0.000078850   0.000099610
 C     -1.521111      2.154630     -0.428845    0.00  -0.000146616   0.000049537   0.000058052
 C     -1.660601      0.871449     -1.257874    0.00  -0.000143494   0.000050629   0.000030010
 C     -1.779939     -0.363474     -0.346867    0.00  -0.000154804   0.000208843   0.000055440
 C     -0.554006     -0.430294      0.584123    0.00  -0.000268783   0.000312780   0.000448334
 C     -0.276941      0.867101      1.373578    0.00  -0.000190589   0.000170601   0.000108593
 H     -2.544264      0.937272     -1.918439    0.00  -0.000008275   0.000003130  -0.000002355
 H     -2.426481      2.308990      0.188948    0.00  -0.000012708   0.000005265   0.000004987
 H     -1.459541      3.030887     -1.101749    0.00  -0.000011826   0.000001461   0.000005077
 H      0.634893      2.086380     -0.167367    0.00  -0.000017228   0.000003470   0.000009390
 H     -0.209861      3.015131      1.083579    0.00  -0.000019827   0.000003752   0.000010634
 H     -2.668575     -0.231048      0.326649    0.00  -0.000014831   0.000036330   0.000003521
 H     -1.046884      0.944913      2.168354    0.00  -0.000019127   0.000005226   0.000010069
 H      0.691171      0.773392      1.907535    0.00  -0.000028171   0.000019312   0.000004592
 H     -0.783224      0.754293     -1.926065    0.00  -0.000009332   0.000000178   0.000003200
 O     -0.692414     -1.445324      1.563102    0.00   0.000449242   0.000576811   0.001140188
 C     -1.985084     -1.640630     -1.156316    0.00  -0.000240930   0.000069629  -0.000174645
 H     -1.989855     -2.530546     -0.515201    0.00   0.000014421   0.000043036   0.000032579
 H     -2.940201     -1.619524     -1.692971    0.00  -0.000014873   0.000013404  -0.000070889
 H     -1.189197     -1.779116     -1.901703    0.00  -0.000044426  -0.000038075   0.000002852
 H     -0.702893     -2.351536      1.159791    0.00  -0.000167249  -0.000319478  -0.000114771
 O      0.757364     -0.601776     -0.022288    0.00  -0.000597448  -0.000484782   0.001469564
 O      0.830799     -1.598081     -1.014758    0.00  -0.000155986  -0.003158905  -0.003261573
 C      1.405471     -2.780817     -0.435789    0.00  -0.000993235   0.004704088  -0.001290480
 H      2.408143     -2.932740     -0.836268    0.00  -0.000385964   0.001638756  -0.000124369
 O      0.754075     -3.493882      0.275333    0.00   0.003386136  -0.003993849   0.001542389
26
 Energy =      -0.190256452978
 C     -0.276347      2.098822      0.466123    0.00  -0.000222109   0.000088179   0.000108456
 C     -1.521144      2.154211     -0.428818    0.00  -0.000161026   0.000056448   0.000064445
 C     -1.660594      0.871056     -1.257905    0.00  -0.000156895   0.000058306   0.000032368
 C     -1.780234     -0.364033     -0.347114    0.00  -0.000173808   0.000230746   0.000054768
 C     -0.554959     -0.431437      0.584440    0.00  -0.000297289   0.000343913   0.000481492
 C     -0.277217      0.866454      1.373497    0.00  -0.000207885   0.000188503   0.000115258
 H     -2.544194      0.937031     -1.918555    0.00  -0.000008955   0.000003648  -0.000002288
 H     -2.426533      2.308550      0.188956    0.00  -0.000014027   0.000005931   0.000005577
 H     -1.459526      3.030506     -1.101665    0.00  -0.000012892   0.000001852   0.000005721
 H      0.634856      2.085803     -0.167227    0.00  -0.000018542   0.000003808   0.000010155
 H     -0.209900      3.014465      1.083745    0.00  -0.000021548   0.000004315   0.000011715
 H     -2.669222     -0.231821      0.326008    0.00  -0.000016989   0.000039888   0.000003586
 H     -1.046956      0.944252      2.168477    0.00  -0.000021339   0.000006235   0.000010937
 H      0.691014      0.772408      1.907254    0.00  -0.000030659   0.000021153   0.000004947
 H     -0.783174      0.754010     -1.926011    0.00  -0.000009749   0.000000686   0.000003191
 O     -0.694822     -1.445377      1.564049    0.00   0.000506354   0.000639169   0.001243707
 C     -1.984692     -1.641134     -1.156773    0.00  -0.000270132   0.000075008  -0.000198306
 H     -1.991537     -2.530782     -0.515310    0.00   0.000015735   0.000047081   0.000035533
 H     -2.939031     -1.619502     -1.694873    0.00  -0.000016964   0.000014674  -0.000078355
 H     -1.187888     -1.780032     -1.900915    0.00  -0.000049315  -0.000041360   0.000002634
 H     -0.692002     -2.353095      1.163294    0.00  -0.000184925  -0.000363913  -0.000126682
 O      0.756770     -0.603235     -0.019572    0.00  -0.000619007  -0.000551170   0.001575624
 O      0.838819     -1.594861     -1.015509    0.00  -0.000235292  -0.003549564  -0.003540624
 C      1.399757     -2.785465     -0.446183    0.00  -0.000968224   0.005271829  -0.001299957
 H      2.387868     -2.958172     -0.874747    0.00  -0.000397680   0.001802400  -0.000118311
 O      0.754873     -3.486815      0.282842    0.00   0.003593163  -0.004397763   0.001594407
26
 Energy =      -0.190814705519
 C     -0.276439      2.098224      0.466174    0.00  -0.000238968   0.000097450   0.000116586
 C     -1.521180      2.153789     -0.428792    0.00  -0.000175182   0.000063651   0.000070810
 C     -1.660593      0.870662     -1.257940    0.00  -0.000170070   0.000066117   0.000034088
 C     -1.780516     -0.364599     -0.347376    0.00  -0.000194314   0.000250575   0.000051017
 C     -0.555891     -0.432578      0.584738    0.00  -0.000326110   0.000371108   0.000506949
 C     -0.277491      0.865811      1.373408    0.00  -0.000224586   0.000205494   0.000120096
 H     -2.544134      0.936788     -1.918669    0.00  -0.000009656   0.000004192  -0.000002129
 H     -2.426590      2.308103      0.188964    0.00  -0.000015366   0.000006622   0.000006185
 H     -1.459520      3.030122     -1.101582    0.00  -0.000013907   0.000002299   0.000006396
 H      0.634817      2.085237     -0.167091    0.00  -0.000019705   0.000004151   0.000010832
 H     -0.209946      3.013801      1.083910    0.00  -0.000023146   0.000004912   0.000012760
 H     -2.669854     -0.232611      0.325362    0.00  -0.000019375   0.000042986   0.000003494
 H     -1.047030      0.943578      2.168588    0.00  -0.000023592   0.000007372   0.000011690
 H      0.690858      0.771433      1.906972    0.00  -0.000032881   0.000022810   0.000005254
 H     -0.783134      0.753738     -1.925971    0.00  -0.000010033   0.000001292   0.000003054
 O     -0.697241     -1.445410      1.564977    0.00   0.000563469   0.000700046   0.001339373
 C     -1.984283     -1.641647     -1.157241    0.00  -0.000299241   0.000080382  -0.000222378
 H     -1.993210     -2.531021     -0.515422    0.00   0.000016828   0.000050771   0.000038114
 H     -2.937844     -1.619493     -1.696786    0.00  -0.000019058   0.000015848  -0.000085419
 H     -1.186578     -1.780965     -1.900144    0.00  -0.000054073  -0.000044174   0.000002296
 H     -0.680817     -2.354544      1.167045    0.00  -0.000200646  -0.000408821  -0.000137337
 O      0.756224     -0.604612     -0.016883    0.00  -0.000635941  -0.000625657   0.001661011
 O      0.846940     -1.591738     -1.016110    0.00  -0.000320340  -0.003915348  -0.003781546
 C      1.393600     -2.790019     -0.456505    0.00  -0.000914376   0.005812836  -0.001275876
 H      2.365987     -2.983092     -0.912718    0.00  -0.000397455   0.001954259  -0.000102270
 O      0.755918     -3.479852      0.290195    0.00   0.003757724  -0.004771174   0.001606951
26
 Energy =      -0.191414413399
 C     -0.276535      2.097627      0.466222    0.00  -0.000254550   0.000106603   0.000123899
 C     -1.521221      2.153361     -0.428769    0.00  -0.000189096   0.000071152   0.000077131
 C     -1.660592      0.870264     -1.257982    0.00  -0.000183099   0.000073973   0.000035038
 C     -1.780783     -0.365175     -0.347653    0.00  -0.000216569   0.000267757   0.000043770
 C     -0.556795     -0.433722      0.585015    0.00  -0.000355144   0.000393463   0.000523676
 C     -0.277761      0.865168      1.373308    0.00  -0.000240634   0.000221318   0.000122974
 H     -2.544083      0.936539     -1.918780    0.00  -0.000010404   0.000004759  -0.000001875
 H     -2.426650      2.307649      0.188970    0.00  -0.000016738   0.000007343   0.000006814
 H     -1.459524      3.029734     -1.101499    0.00  -0.000014865   0.000002811   0.000007105
 H      0.634777      2.084678     -0.166959    0.00  -0.000020707   0.000004504   0.000011414
 H     -0.210000      3.013137      1.084071    0.00  -0.000024606   0.000005544   0.000013756
 H     -2.670462     -0.233424      0.324711    0.00  -0.000022017   0.000045529   0.000003220
 H     -1.047107      0.942887      2.168684    0.00  -0.000025876   0.000008645   0.000012311
 H      0.690701      0.770463      1.906690    0.00  -0.000034791   0.000024241   0.000005512
 H     -0.783104      0.753476     -1.925948    0.00  -0.000010187   0.000001993   0.000002772
 O     -0.699677     -1.445421      1.565889    0.00   0.000620138   0.000759033   0.001426500
 C     -1.983856     -1.642169     -1.157722    0.00  -0.000328083   0.000085829  -0.000246676
 H     -1.994872     -2.531262     -0.515538    0.00   0.000017657   0.000054043   0.000040251
 H     -2.936637     -1.619497     -1.698713    0.00  -0.000021121   0.000016906  -0.000091988
 H     -1.185265     -1.781919     -1.899395    0.00  -0.000058660  -0.000046462   0.000001827
 H     -0.669336     -2.355872      1.171064    0.00  -0.000213985  -0.000453567  -0.000146458
 O      0.755740     -0.605912     -0.014213    0.00  -0.000650050  -0.000709587   0.001724558
 O      0.855142     -1.588709     -1.016568    0.00  -0.000406197  -0.004245480  -0.003979579
 C      1.387006     -2.794469     -0.466751    0.00  -0.000833559   0.006315972  -0.001219629
 H      2.342542     -3.007448     -0.950123    0.00  -0.000385483   0.002090711  -0.000076888
 O      0.757205     -3.472990      0.297392    0.00   0.003878627  -0.005107033   0.001580564
26
 Energy =      -0.192050385657
 C     -0.276634      2.097029      0.466266    0.00  -0.000268716   0.000115573   0.000130293
 C     -1.521267      2.152925     -0.428748    0.00  -0.000202778   0.000078962   0.000083386
 C     -1.660593      0.869862     -1.258030    0.00  -0.000196056   0.000081772   0.000035067
 C     -1.781027     -0.365765     -0.347949    0.00  -0.000240789   0.000281726   0.000032661
 C     -0.557665     -0.434869      0.585270    0.00  -0.000384157   0.000410092   0.000530788
 C     -0.278026      0.864525      1.373198    0.00  -0.000255917   0.000235674   0.000123781
 H     -2.544043      0.936283     -1.918888    0.00  -0.000011221   0.000005346  -0.000001517
 H     -2.426716      2.307181      0.188976    0.00  -0.000018154   0.000008099   0.000007465
 H     -1.459537      3.029342     -1.101417    0.00  -0.000015766   0.000003390   0.000007854
 H      0.634733      2.084126     -0.166829    0.00  -0.000021539   0.000004877   0.000011886
 H     -0.210062      3.012471      1.084232    0.00  -0.000025910   0.000006216   0.000014688
 H     -2.671043     -0.234261      0.324058    0.00  -0.000024933   0.000047425   0.000002744
 H     -1.047188      0.942175      2.168765    0.00  -0.000028170   0.000010050   0.000012789
 H      0.690545      0.769501      1.906407    0.00  -0.000036333   0.000025403   0.000005726
 H     -0.783081      0.753225     -1.925944    0.00  -0.000010214   0.000002786   0.000002327
 O     -0.702139     -1.445410      1.566785    0.00   0.000675885   0.000815740   0.001504464
 C     -1.983410     -1.642704     -1.158219    0.00  -0.000356481   0.000091362  -0.000271035
 H     -1.996521     -2.531508     -0.515660    0.00   0.000018175   0.000056836   0.000041884
 H     -2.935408     -1.619514     -1.700658    0.00  -0.000023122   0.000017828  -0.000097961
 H     -1.183948     -1.782897     -1.898668    0.00  -0.000063035  -0.000048180   0.000001213
 H     -0.657555     -2.357065      1.175374    0.00  -0.000224554  -0.000497499  -0.000153802
 O      0.755336     -0.607137     -0.011555    0.00  -0.000663240  -0.000803917   0.001765820
 O      0.863395     -1.585770     -1.016896    0.00  -0.000487618  -0.004529668  -0.004130640
 C      1.379976     -2.798809     -0.476913    0.00  -0.000728454   0.006770532  -0.001133456
 H      2.317581     -3.031186     -0.986912    0.00  -0.000362363   0.002208404  -0.000043084
 O      0.758734     -3.466224      0.304429    0.00   0.003955462  -0.005398827   0.001516660
26
 Energy =      -0.192716782029
 C     -0.276738      2.096426      0.466305    0.00  -0.000281298   0.000124287   0.000135645
 C     -1.521317      2.152479     -0.428728    0.00  -0.000216230   0.000087091   0.000089539
 C     -1.660594      0.869452     -1.258086    0.00  -0.000209020   0.000089400   0.000034022
 C     -1.781241     -0.366370     -0.348264    0.00  -0.000267124   0.000291910   0.000017365
 C     -0.558493     -0.436020      0.585500    0.00  -0.000412774   0.000420119   0.000527656
 C     -0.278287      0.863878      1.373075    0.00  -0.000270248   0.000248220   0.000122444
 H     -2.544012      0.936014     -1.918994    0.00  -0.000012129   0.000005948  -0.000001058
 H     -2.426787      2.306697      0.188982    0.00  -0.000019626   0.000008893   0.000008142
 H     -1.459563      3.028940     -1.101335    0.00  -0.000016602   0.000004042   0.000008646
 H      0.634687      2.083578     -0.166705    0.00  -0.000022191   0.000005270   0.000012240
 H     -0.210133      3.011802      1.084389    0.00  -0.000027037   0.000006928   0.000015539
 H     -2.671586     -0.235130      0.323402    0.00  -0.000028141   0.000048596   0.000002045
 H     -1.047274      0.941438      2.168827    0.00  -0.000030440   0.000011580   0.000013113
 H      0.690389      0.768547      1.906126    0.00  -0.000037453   0.000026251   0.000005900
 H     -0.783067      0.752984     -1.925961    0.00  -0.000010118   0.000003666   0.000001703
 O     -0.704635     -1.445376      1.567668    0.00   0.000730211   0.000869834   0.001572698
 C     -1.982944     -1.643253     -1.158735    0.00  -0.000384275   0.000096926  -0.000295296
 H     -1.998156     -2.531759     -0.515790    0.00   0.000018345   0.000059088   0.000042956
 H     -2.934158     -1.619543     -1.702620    0.00  -0.000025032   0.000018588  -0.000103240
 H     -1.182626     -1.783905     -1.897966    0.00  -0.000067153  -0.000049284   0.000000439
 H     -0.645467     -2.358107      1.179996    0.00  -0.000232023  -0.000539976  -0.000159188
 O      0.755030     -0.608294     -0.008896    0.00  -0.000677453  -0.000909064   0.001785092
 O      0.871677     -1.582915     -1.017103    0.00  -0.000559360  -0.004758509  -0.004231433
 C      1.372520     -2.803033     -0.486983    0.00  -0.000602368   0.007166580  -0.001020416
 H      2.291156     -3.054266     -1.023034    0.00  -0.000329068   0.002304369  -0.000002073
 O      0.760500     -3.459548      0.311303    0.00   0.003988607  -0.005640755   0.001417519
26
 Energy =      -0.193407212209
 C     -0.276845      2.095819      0.466338    0.00  -0.000292101   0.000132661   0.000139816
 C     -1.521374      2.152019     -0.428711    0.00  -0.000229435   0.000095541   0.000095541
 C     -1.660594      0.869031     -1.258152    0.00  -0.000222056   0.000096732   0.000031727
 C     -1.781421     -0.366996     -0.348603    0.00  -0.000295637   0.000297763  -0.000002374
 C     -0.559271     -0.437177      0.585702    0.00  -0.000440534   0.000422730   0.000513915
 C     -0.278540      0.863225      1.372940    0.00  -0.000283349   0.000258563   0.000118938
 H     -2.543989      0.935729     -1.919096    0.00  -0.000013152   0.000006561  -0.000000494
 H     -2.426864      2.306190      0.188987    0.00  -0.000021167   0.000009729   0.000008846
 H     -1.459601      3.028529     -1.101252    0.00  -0.000017366   0.000004779   0.000009484
 H      0.634637      2.083035     -0.166585    0.00  -0.000022648   0.000005689   0.000012463
 H     -0.210213      3.011126      1.084544    0.00  -0.000027958   0.000007685   0.000016287
 H     -2.672082     -0.236035      0.322745    0.00  -0.000031645   0.000048974   0.000001106
 H     -1.047364      0.940670      2.168869    0.00  -0.000032639   0.000013212   0.000013271
 H      0.690235      0.767604      1.905847    0.00  -0.000038092   0.000026738   0.000006039
 H     -0.783058      0.752753     -1.926002    0.00  -0.000009901   0.000004632   0.000000884
 O     -0.707174     -1.445317      1.568540    0.00   0.000782604   0.000921024   0.001630717
 C     -1.982456     -1.643820     -1.159272    0.00  -0.000411312   0.000102372  -0.000319312
 H     -1.999772     -2.532020     -0.515930    0.00   0.000018125   0.000060739   0.000043409
 H     -2.932882     -1.619585     -1.704603    0.00  -0.000026824   0.000019157  -0.000107727
 H     -1.181294     -1.784946     -1.897291    0.00  -0.000070965  -0.000049735  -0.000000511
 H     -0.633065     -2.358983      1.184956    0.00  -0.000236129  -0.000580386  -0.000162505
 O      0.754838     -0.609389     -0.006225    0.00  -0.000694582  -0.001024804   0.001783453
 O      0.879952     -1.580138     -1.017201    0.00  -0.000616434  -0.004923830  -0.004279563
 C      1.364640     -2.807136     -0.496955    0.00  -0.000459092   0.007495251  -0.000884349
 H      2.263319     -3.076648     -1.058443    0.00  -0.000286904   0.002376139   0.000044704
 O      0.762501     -3.452959      0.318009    0.00   0.003979195  -0.005827915   0.001286234
26
 Energy =      -0.194114857358
 C     -0.276956      2.095206      0.466366    0.00  -0.000300890   0.000140596   0.000142648
 C     -1.521437      2.151541     -0.428696    0.00  -0.000242362   0.000104316   0.000101324
 C     -1.660590      0.868597     -1.258228    0.00  -0.000235225   0.000103636   0.000027996
 C     -1.781557     -0.367646     -0.348966    0.00  -0.000326322   0.000298751  -0.000026733
 C     -0.559988     -0.438340      0.585876    0.00  -0.000466795   0.000417207   0.000489563
 C     -0.278786      0.862566      1.372793    0.00  -0.000294858   0.000266255   0.000113262
 H     -2.543974      0.935423     -1.919195    0.00  -0.000014311   0.000007179   0.000000170
 H     -2.426947      2.305657      0.188993    0.00  -0.000022792   0.000010611   0.000009579
 H     -1.459655      3.028104     -1.101168    0.00  -0.000018048   0.000005603   0.000010375
 H      0.634583      2.082495     -0.166472    0.00  -0.000022894   0.000006136   0.000012543
 H     -0.210306      3.010443      1.084695    0.00  -0.000028645   0.000008489   0.000016906
 H     -2.672524     -0.236982      0.322086    0.00  -0.000035436   0.000048511  -0.000000092
 H     -1.047458      0.939872      2.168888    0.00  -0.000034711   0.000014915   0.000013257
 H      0.690082      0.766673      1.905573    0.00  -0.000038194   0.000026817   0.000006155
 H     -0.783056      0.752532     -1.926070    0.00  -0.000009565   0.000005670  -0.000000151
 O     -0.709765     -1.445233      1.569401    0.00   0.000832514   0.000969101   0.001678098
 C     -1.981943     -1.644408     -1.159834    0.00  -0.000437449   0.000107473  -0.000342961
 H     -2.001368     -2.532293     -0.516084    0.00   0.000017478   0.000061721   0.000043197
 H     -2.931579     -1.619640     -1.706610    0.00  -0.000028473   0.000019501  -0.000111322
 H     -1.179951     -1.786026     -1.896649    0.00  -0.000074419  -0.000049502  -0.000001660
 H     -0.620333     -2.359672      1.190283    0.00  -0.000236693  -0.000618191  -0.000163719
 O      0.754781     -0.610430     -0.003527    0.00  -0.000716405  -0.001150208   0.001762753
 O      0.888192     -1.577431     -1.017203    0.00  -0.000654397  -0.005018998  -0.004273641
 C      1.356340     -2.811113     -0.506824    0.00  -0.000302756   0.007749026  -0.000729731
 H      2.234126     -3.098300     -1.093095    0.00  -0.000237448   0.002421846   0.000095612
 O      0.764734     -3.446449      0.324545    0.00   0.003929099  -0.005956462   0.001126568
26
 Energy =      -0.194832611578
 C     -0.277072      2.094583      0.466388    0.00  -0.000307396   0.000147981   0.000143963
 C     -1.521507      2.151044     -0.428685    0.00  -0.000254968   0.000113407   0.000106801
 C     -1.660580      0.868146     -1.258317    0.00  -0.000248580   0.000109943   0.000022622
 C     -1.781640     -0.368326     -0.349359    0.00  -0.000359024   0.000294417  -0.000055792
 C     -0.560635     -0.439507      0.586020    0.00  -0.000490818   0.000402935   0.000454932
 C     -0.279022      0.861900      1.372631    0.00  -0.000304328   0.000270816   0.000105469
 H     -2.543968      0.935091     -1.919289    0.00  -0.000015622   0.000007795   0.000000928
 H     -2.427039      2.305090      0.188997    0.00  -0.000024508   0.000011542   0.000010340
 H     -1.459726      3.027663     -1.101084    0.00  -0.000018635   0.000006529   0.000011323
 H      0.634525      2.081957     -0.166367    0.00  -0.000022916   0.000006606   0.000012466
 H     -0.210411      3.009750      1.084842    0.00  -0.000029056   0.000009344   0.000017366
 H     -2.672897     -0.237978      0.321430    0.00  -0.000039499   0.000047179  -0.000001556
 H     -1.047559      0.939037      2.168882    0.00  -0.000036587   0.000016646   0.000013061
 H      0.689931      0.765760      1.905306    0.00  -0.000037701   0.000026443   0.000006253
 H     -0.783059      0.752321     -1.926169    0.00  -0.000009109   0.000006777  -0.000001415
 O     -0.712420     -1.445121      1.570255    0.00   0.000879340   0.001013934   0.001714542
 C     -1.981400     -1.645020     -1.160425    0.00  -0.000462553   0.000111870  -0.000366139
 H     -2.002935     -2.532579     -0.516252    0.00   0.000016371   0.000061968   0.000042274
 H     -2.930247     -1.619710     -1.708640    0.00  -0.000029966   0.000019578  -0.000113925
 H     -1.178595     -1.787149     -1.896043    0.00  -0.000077456  -0.000048555  -0.000003024
 H     -0.607251     -2.360156      1.196010    0.00  -0.000233618  -0.000652938  -0.000162888
 O      0.754877     -0.611428     -0.000787    0.00  -0.000744465  -0.001283535   0.001725573
 O      0.896358     -1.574786     -1.017121    0.00  -0.000669605  -0.005039219  -0.004213335
 C      1.347626     -2.814957     -0.516581    0.00  -0.000137662   0.007922006  -0.000561664
 H      2.203638     -3.119191     -1.126945    0.00  -0.000182476   0.002440291   0.000148887
 O      0.767201     -3.440014      0.330905    0.00   0.003840837  -0.006023758   0.000942938
26
 Energy =      -0.195553240165
 C     -0.277192      2.093951      0.466403    0.00  -0.000311324   0.000154687   0.000143570
 C     -1.521585      2.150521     -0.428678    0.00  -0.000267169   0.000122786   0.000111854
 C     -1.660561      0.867676     -1.258420    0.00  -0.000262142   0.000115476   0.000015395
 C     -1.781658     -0.369037     -0.349782    0.00  -0.000393462   0.000284371  -0.000089495
 C     -0.561202     -0.440679      0.586133    0.00  -0.000511760   0.000379490   0.000410802
 C     -0.279245      0.861225      1.372455    0.00  -0.000311201   0.000271700   0.000095654
 H     -2.543969      0.934725     -1.919379    0.00  -0.000017104   0.000008399   0.000001761
 H     -2.427138      2.304482      0.189000    0.00  -0.000026331   0.000012528   0.000011130
 H     -1.459820      3.027201     -1.100997    0.00  -0.000019110   0.000007560   0.000012328
 H      0.634460      2.081420     -0.166271    0.00  -0.000022691   0.000007099   0.000012221
 H     -0.210531      3.009048      1.084981    0.00  -0.000029155   0.000010252   0.000017629
 H     -2.673191     -0.239028      0.320773    0.00  -0.000043790   0.000044977  -0.000003296
 H     -1.047666      0.938165      2.168848    0.00  -0.000038177   0.000018347   0.000012679
 H      0.689781      0.764868      1.905050    0.00  -0.000036563   0.000025572   0.000006335
 H     -0.783066      0.752122     -1.926305    0.00  -0.000008539   0.000007935  -0.000002925
 O     -0.715152     -1.444979      1.571097    0.00   0.000922441   0.001055497   0.001739818
 C     -1.980825     -1.645661     -1.161047    0.00  -0.000486490   0.000115107  -0.000388762
 H     -2.004468     -2.532882     -0.516438    0.00   0.000014768   0.000061402   0.000040595
 H     -2.928883     -1.619794     -1.710693    0.00  -0.000031297   0.000019347  -0.000115433
 H     -1.177223     -1.788321     -1.895481    0.00  -0.000080011  -0.000046874  -0.000004631
 H     -0.593794     -2.360408      1.202171    0.00  -0.000226905  -0.000684293  -0.000160153
 O      0.755147     -0.612392      0.002012    0.00  -0.000780024  -0.001422239   0.001675131
 O      0.904412     -1.572192     -1.016965    0.00  -0.000659418  -0.004981746  -0.004099458
 C      1.338504     -2.818662     -0.526223    0.00   0.000031822   0.008010088  -0.000385635
 H      2.171916     -3.139296     -1.159952    0.00  -0.000123887   0.002431007   0.000202679
 O      0.769898     -3.433649      0.337083    0.00   0.003717520  -0.006028474   0.000740209
26
 Energy =      -0.196269551848
 C     -0.277319      2.093308      0.466409    0.00  -0.000312331   0.000160568   0.000141248
 C     -1.521671      2.149969     -0.428674    0.00  -0.000278864   0.000132418   0.000116340
 C     -1.660532      0.867183     -1.258541    0.00  -0.000275914   0.000120028   0.000006078
 C     -1.781600     -0.369786     -0.350241    0.00  -0.000429184   0.000268323  -0.000127627
 C     -0.561673     -0.441850      0.586213    0.00  -0.000528667   0.000346672   0.000358402
 C     -0.279454      0.860543      1.372266    0.00  -0.000314864   0.000268366   0.000083952
 H     -2.543976      0.934320     -1.919464    0.00  -0.000018769   0.000008979   0.000002646
 H     -2.427249      2.303823      0.189002    0.00  -0.000028265   0.000013566   0.000011944
 H     -1.459939      3.026718     -1.100908    0.00  -0.000019455   0.000008707   0.000013394
 H      0.634389      2.080886     -0.166187    0.00  -0.000022203   0.000007603   0.000011792
 H     -0.210667      3.008337      1.085111    0.00  -0.000028892   0.000011214   0.000017656
 H     -2.673390     -0.240143      0.320120    0.00  -0.000048252   0.000041935  -0.000005314
 H     -1.047779      0.937253      2.168784    0.00  -0.000039390   0.000019944   0.000012108
 H      0.689635      0.764004      1.904808    0.00  -0.000034734   0.000024168   0.000006404
 H     -0.783074      0.751934     -1.926481    0.00  -0.000007859   0.000009121  -0.000004691
 O     -0.717974     -1.444806      1.571934    0.00   0.000961031   0.001093896   0.001753830
 C     -1.980209     -1.646333     -1.161706    0.00  -0.000509129   0.000116605  -0.000410761
 H     -2.005955     -2.533206     -0.516644    0.00   0.000012640   0.000059937   0.000038126
 H     -2.927483     -1.619895     -1.712768    0.00  -0.000032468   0.000018761  -0.000115742
 H     -1.175833     -1.789547     -1.894969    0.00  -0.000082009  -0.000044450  -0.000006507
 H     -0.579923     -2.360402      1.208811    0.00  -0.000216570  -0.000712093  -0.000155747
 O      0.755609     -0.613336      0.004892    0.00  -0.000823964  -0.001562951   0.001615161
 O      0.912306     -1.569640     -1.016751    0.00  -0.000622342  -0.004846056  -0.003934008
 C      1.328978     -2.822219     -0.535741    0.00   0.000201347   0.008011154  -0.000207402
 H      2.139024     -3.158589     -1.192078    0.00  -0.000063638   0.002394287   0.000255126
 O      0.772826     -3.427348      0.343073    0.00   0.003562746  -0.005970701   0.000523591
26
 Energy =      -0.196974579697
 C     -0.277450      2.092655      0.466403    0.00  -0.000310056   0.000165456   0.000136765
 C     -1.521768      2.149383     -0.428676    0.00  -0.000289898   0.000142229   0.000120075
 C     -1.660485      0.866662     -1.258682    0.00  -0.000289855   0.000123356  -0.000005559
 C     -1.781450     -0.370577     -0.350740    0.00  -0.000465529   0.000246131  -0.000169775
 C     -0.562037     -0.443019      0.586263    0.00  -0.000540536   0.000304554   0.000299420
 C     -0.279645      0.859856      1.372064    0.00  -0.000314633   0.000260265   0.000070551
 H     -2.543989      0.933864     -1.919545    0.00  -0.000020624   0.000009521   0.000003545
 H     -2.427370      2.303106      0.189002    0.00  -0.000030315   0.000014658   0.000012775
 H     -1.460089      3.026209     -1.100817    0.00  -0.000019647   0.000009975   0.000014516
 H      0.634311      2.080356     -0.166116    0.00  -0.000021435   0.000008113   0.000011169
 H     -0.210822      3.007618      1.085229    0.00  -0.000028219   0.000012230   0.000017405
 H     -2.673477     -0.241330      0.319467    0.00  -0.000052798   0.000038121  -0.000007601
 H     -1.047901      0.936302      2.168688    0.00  -0.000040117   0.000021355   0.000011341
 H      0.689492      0.763180      1.904587    0.00  -0.000032178   0.000022204   0.000006455
 H     -0.783083      0.751761     -1.926707    0.00  -0.000007085   0.000010301  -0.000006719
 O     -0.720902     -1.444600      1.572760    0.00   0.000994247   0.001129362   0.001756610
 C     -1.979546     -1.647042     -1.162405    0.00  -0.000530321   0.000115671  -0.000432066
 H     -2.007381     -2.533553     -0.516873    0.00   0.000009955   0.000057472   0.000034830
 H     -2.926043     -1.620016     -1.714860    0.00  -0.000033500   0.000017774  -0.000114747
 H     -1.174423     -1.790831     -1.894520    0.00  -0.000083368  -0.000041289  -0.000008681
 H     -0.565591     -2.360106      1.215976    0.00  -0.000202740  -0.000736330  -0.000149980
 O      0.756283     -0.614279      0.007875    0.00  -0.000876679  -0.001701536   0.001549764
 O      0.919991     -1.567119     -1.016490    0.00  -0.000558164  -0.004633988  -0.003720191
 C      1.319055     -2.825618     -0.545129    0.00   0.000366643   0.007925229  -0.000032831
 H      2.105034     -3.177045     -1.223283    0.00  -0.000003653   0.002331183   0.000304415
 O      0.775986     -3.421108      0.348865    0.00   0.003380504  -0.005852019   0.000298512
26
 Energy =      -0.197661768905
 C     -0.277587      2.091993      0.466385    0.00  -0.000304121   0.000169170   0.000129886
 C     -1.521874      2.148757     -0.428686    0.00  -0.000300063   0.000152120   0.000122831
 C     -1.660417      0.866108     -1.258848    0.00  -0.000303884   0.000125185  -0.000019741
 C     -1.781192     -0.371416     -0.351282    0.00  -0.000501603   0.000217851  -0.000215279
 C     -0.562280     -0.444179      0.586284    0.00  -0.000546348   0.000253546   0.000236035
 C     -0.279815      0.859168      1.371850    0.00  -0.000309774   0.000246899   0.000055683
 H     -2.544004      0.933350     -1.919620    0.00  -0.000022672   0.000010004   0.000004398
 H     -2.427504      2.302315      0.189000    0.00  -0.000032478   0.000015799   0.000013614
 H     -1.460278      3.025669     -1.100724    0.00  -0.000019661   0.000011366   0.000015686
 H      0.634226      2.079830     -0.166062    0.00  -0.000020373   0.000008611   0.000010339
 H     -0.211000      3.006894      1.085328    0.00  -0.000027092   0.000013295   0.000016826
 H     -2.673434     -0.242598      0.318817    0.00  -0.000057310   0.000033637  -0.000010141
 H     -1.048029      0.935316      2.168558    0.00  -0.000040244   0.000022478   0.000010381
 H      0.689355      0.762405      1.904394    0.00  -0.000028882   0.000019673   0.000006471
 H     -0.783088      0.751605     -1.926991    0.00  -0.000006232   0.000011429  -0.000009003
 O     -0.723955     -1.444357      1.573579    0.00   0.001021054   0.001162284   0.001748343
 C     -1.978825     -1.647792     -1.163147    0.00  -0.000549894   0.000111507  -0.000452592
 H     -2.008726     -2.533928     -0.517128    0.00   0.000006688   0.000053890   0.000030672
 H     -2.924562     -1.620162     -1.716962    0.00  -0.000034435   0.000016339  -0.000112346
 H     -1.172993     -1.792178     -1.894146    0.00  -0.000083989  -0.000037414  -0.000011185
 H     -0.550731     -2.359477      1.223727    0.00  -0.000185552  -0.000757188  -0.000143223
 O      0.757188     -0.615239      0.010987    0.00  -0.000938006  -0.001833147   0.001483141
 O      0.927409     -1.564621     -1.016198    0.00  -0.000467955  -0.004349853  -0.003462425
 C      1.308744     -2.828846     -0.554380    0.00   0.000523521   0.007754586   0.000132408
 H      2.070023     -3.194641     -1.253527    0.00   0.000054219   0.002243499   0.000348828
 O      0.779379     -3.414924      0.354448    0.00   0.003175086  -0.005675565   0.000070393
26
 Energy =      -0.198325167767
 C     -0.277730      2.091322      0.466350    0.00  -0.000294160   0.000171514   0.000120373
 C     -1.521994      2.148086     -0.428705    0.00  -0.000309086   0.000161934   0.000124331
 C     -1.660319      0.865517     -1.259043    0.00  -0.000317845   0.000125204  -0.000036669
 C     -1.780804     -0.372306     -0.351872    0.00  -0.000536249   0.000183749  -0.000263173
 C     -0.562384     -0.445321      0.586282    0.00  -0.000545077   0.000194472   0.000170831
 C     -0.279957      0.858484      1.371626    0.00  -0.000299592   0.000227884   0.000039625
 H     -2.544019      0.932767     -1.919693    0.00  -0.000024904   0.000010407   0.000005131
 H     -2.427653      2.301440      0.188995    0.00  -0.000034737   0.000016979   0.000014436
 H     -1.460511      3.025094     -1.100629    0.00  -0.000019470   0.000012879   0.000016894
 H      0.634132      2.079313     -0.166029    0.00  -0.000019011   0.000009083   0.000009293
 H     -0.211203      3.006168      1.085403    0.00  -0.000025460   0.000014398   0.000015873
 H     -2.673241     -0.243955      0.318167    0.00  -0.000061645   0.000028634  -0.000012901
 H     -1.048165      0.934298      2.168393    0.00  -0.000039657   0.000023206   0.000009223
 H      0.689226      0.761696      1.904233    0.00  -0.000024845   0.000016581   0.000006427
 H     -0.783086      0.751467     -1.927340    0.00  -0.000005341   0.000012431  -0.000011529
 O     -0.727153     -1.444077      1.574385    0.00   0.001040175   0.001193264   0.001729358
 C     -1.978034     -1.648588     -1.163938    0.00  -0.000567646   0.000103236  -0.000472226
 H     -2.009961     -2.534336     -0.517407    0.00   0.000002807   0.000049054   0.000025626
 H     -2.923035     -1.620339     -1.719061    0.00  -0.000035331   0.000014416  -0.000108431
 H     -1.171538     -1.793590     -1.893865    0.00  -0.000083760  -0.000032879  -0.000014052
 H     -0.535259     -2.358467      1.232130    0.00  -0.000165110  -0.000775084  -0.000135888
 O      0.758342     -0.616240      0.014254    0.00  -0.001007151  -0.001952460   0.001419462
 O      0.934493     -1.562133     -1.015888    0.00  -0.000354095  -0.004000405  -0.003166395
 C      1.298059     -2.831890     -0.563487    0.00   0.000667985   0.007503815   0.000282957
 H      2.034079     -3.211348     -1.282773    0.00   0.000108267   0.002133758   0.000386824
 O      0.783010     -3.408797      0.359809    0.00   0.002950938  -0.005446070  -0.000155398
26
 Energy =      -0.198959618142
 C     -0.277878      2.090646      0.466296    0.00  -0.000279839   0.000172274   0.000108018
 C     -1.522127      2.147362     -0.428736    0.00  -0.000316618   0.000171469   0.000124248
 C     -1.660184      0.864885     -1.259272    0.00  -0.000331507   0.000123053  -0.000056482
 C     -1.780265     -0.373250     -0.352514    0.00  -0.000568028   0.000144382  -0.000312154
 C     -0.562336     -0.446437      0.586262    0.00  -0.000535802   0.000128603   0.000106769
 C     -0.280066      0.857813      1.371397    0.00  -0.000283456   0.000203001   0.000022677
 H     -2.544028      0.932101     -1.919762    0.00  -0.000027303   0.000010700   0.000005641
 H     -2.427818      2.300461      0.188985    0.00  -0.000037063   0.000018185   0.000015217
 H     -1.460802      3.024482     -1.100532    0.00  -0.000019045   0.000014500   0.000018110
 H      0.634029      2.078808     -0.166022    0.00  -0.000017349   0.000009512   0.000008025
 H     -0.211434      3.005450      1.085443    0.00  -0.000023293   0.000015524   0.000014502
 H     -2.672878     -0.245411      0.317516    0.00  -0.000065619   0.000023305  -0.000015832
 H     -1.048306      0.933260      2.168190    0.00  -0.000038247   0.000023426   0.000007868
 H      0.689105      0.761072      1.904116    0.00  -0.000020102   0.000012969   0.000006286
 H     -0.783071      0.751352     -1.927766    0.00  -0.000004458   0.000013219  -0.000014261
 O     -0.730518     -1.443759      1.575175    0.00   0.001050063   0.001223137   0.001700154
 C     -1.977158     -1.649435     -1.164779    0.00  -0.000583323   0.000089929  -0.000490788
 H     -2.011047     -2.534780     -0.517716    0.00  -0.000001712   0.000042812   0.000019667
 H     -2.921459     -1.620558     -1.721140    0.00  -0.000036275   0.000011975  -0.000102904
 H     -1.170062     -1.795067     -1.893697    0.00  -0.000082551  -0.000027766  -0.000017315
 H     -0.519064     -2.357015      1.241270    0.00  -0.000141454  -0.000790657  -0.000128408
 O      0.759758     -0.617314      0.017711    0.00  -0.001082583  -0.002053837   0.001362526
 O      0.941167     -1.559649     -1.015576    0.00  -0.000220213  -0.003594897  -0.002838977
 C      1.287017     -2.834731     -0.572439    0.00   0.000796211   0.007179934   0.000414074
 H      1.997305     -3.227133     -1.310980    0.00   0.000156969   0.002005158   0.000417088
 O      0.786879     -3.402726      0.364931    0.00   0.002712600  -0.005169912  -0.000373749
26
 Energy =       -0.19956094193
 C     -0.278031      2.089974      0.466217    0.00  -0.000260921   0.000171249   0.000092663
 C     -1.522274      2.146582     -0.428784    0.00  -0.000322211   0.000180436   0.000122199
 C     -1.659999      0.864205     -1.259544    0.00  -0.000344540   0.000118357  -0.000079221
 C     -1.779553     -0.374251     -0.353212    0.00  -0.000595217   0.000100637  -0.000360540
 C     -0.562120     -0.447513      0.586234    0.00  -0.000517776   0.000057707   0.000047059
 C     -0.280136      0.857169      1.371166    0.00  -0.000260902   0.000172298   0.000005168
 H     -2.544023      0.931338     -1.919832    0.00  -0.000029839   0.000010850   0.000005799
 H     -2.428002      2.299362      0.188969    0.00  -0.000039405   0.000019393   0.000015913
 H     -1.461160      3.023829     -1.100433    0.00  -0.000018364   0.000016206   0.000019294
 H      0.633916      2.078322     -0.166046    0.00  -0.000015396   0.000009873   0.000006537
 H     -0.211697      3.004749      1.085439    0.00  -0.000020571   0.000016647   0.000012678
 H     -2.672322     -0.246973      0.316860    0.00  -0.000069019   0.000017883  -0.000018862
 H     -1.048449      0.932217      2.167952    0.00  -0.000035927   0.000023033   0.000006317
 H      0.689002      0.760558      1.904052    0.00  -0.000014720   0.000008907   0.000005996
 H     -0.783031      0.751264     -1.928278    0.00  -0.000003652   0.000013677  -0.000017144
 O     -0.734078     -1.443407      1.575943    0.00   0.001048810   0.001253044   0.001661351
 C     -1.976174     -1.650336     -1.165673    0.00  -0.000596606   0.000070667  -0.000507995
 H     -2.011931     -2.535267     -0.518048    0.00  -0.000006887   0.000034996   0.000012780
 H     -2.919832     -1.620833     -1.723170    0.00  -0.000037384   0.000009000  -0.000095672
 H     -1.168562     -1.796602     -1.893670    0.00  -0.000080217  -0.000022191  -0.000020998
 H     -0.502008     -2.355043      1.251244    0.00  -0.000114472  -0.000804781  -0.000121190
 O      0.761446     -0.618495      0.021385    0.00  -0.001161985  -0.002131649   0.001315484
 O      0.947344     -1.557158     -1.015280    0.00  -0.000071116  -0.003145021  -0.002488193
 C      1.275646     -2.837350     -0.581228    0.00   0.000904685   0.006792408   0.000521884
 H      1.959829     -3.241963     -1.338102    0.00   0.000199020   0.001861513   0.000438601
 O      0.790990     -3.396716      0.369793    0.00   0.002464614  -0.004855137  -0.000579909
26
 Energy =      -0.200126118312
 C     -0.278186      2.089311      0.466108    0.00  -0.000237307   0.000168241   0.000074243
 C     -1.522435      2.145739     -0.428852    0.00  -0.000325332   0.000188467   0.000117757
 C     -1.659749      0.863475     -1.259864    0.00  -0.000356498   0.000110723  -0.000104771
 C     -1.778643     -0.375309     -0.353969    0.00  -0.000615855   0.000053741  -0.000406268
 C     -0.561725     -0.448532      0.586212    0.00  -0.000490519  -0.000015920  -0.000005031
 C     -0.280160      0.856566      1.370939    0.00  -0.000231755   0.000136165  -0.000012575
 H     -2.543991      0.930463     -1.919911    0.00  -0.000032464   0.000010818   0.000005453
 H     -2.428205      2.298123      0.188944    0.00  -0.000041682   0.000020570   0.000016470
 H     -1.461598      3.023133     -1.100335    0.00  -0.000017407   0.000017960   0.000020386
 H      0.633795      2.077864     -0.166110    0.00  -0.000013180   0.000010146   0.000004836
 H     -0.211996      3.004082      1.085375    0.00  -0.000017304   0.000017727   0.000010382
 H     -2.671554     -0.248647      0.316193    0.00  -0.000071604   0.000012630  -0.000021894
 H     -1.048592      0.931193      2.167681    0.00  -0.000032641   0.000021941   0.000004575
 H      0.688917      0.760183      1.904050    0.00  -0.000008802   0.000004504   0.000005498
 H     -0.782955      0.751206     -1.928885    0.00  -0.000003012   0.000013659  -0.000020093
 O     -0.737860     -1.443023      1.576678    0.00   0.001034058   0.001284519   0.001613618
 C     -1.975062     -1.651295     -1.166620    0.00  -0.000607106   0.000044637  -0.000523420
 H     -2.012540     -2.535797     -0.518403    0.00  -0.000012729   0.000025445   0.000004969
 H     -2.918156     -1.621187     -1.725112    0.00  -0.000038794   0.000005495  -0.000086658
 H     -1.167042     -1.798182     -1.893814    0.00  -0.000076602  -0.000016308  -0.000025114
 H     -0.483914     -2.352452      1.262174    0.00  -0.000083824  -0.000818552  -0.000114582
 O      0.763410     -0.619823      0.025313    0.00  -0.001242244  -0.002180713   0.001280576
 O      0.952927     -1.554656     -1.015015    0.00   0.000087351  -0.002664725  -0.002123153
 C      1.263983     -2.839726     -0.589837    0.00   0.000990400   0.006353117   0.000603705
 H      1.921806     -3.255793     -1.364093    0.00   0.000233381   0.001707194   0.000450689
 O      0.795349     -3.390777      0.374371    0.00   0.002211471  -0.004511480  -0.000769598
26
 Energy =       -0.20065343907
 C     -0.278342      2.088673      0.465963    0.00  -0.000209137   0.000163080   0.000052834
 C     -1.522610      2.144831     -0.428947    0.00  -0.000325371   0.000195100   0.000110476
 C     -1.659419      0.862691     -1.260241    0.00  -0.000366805   0.000099780  -0.000132797
 C     -1.777512     -0.376419     -0.354784    0.00  -0.000627832   0.000005295  -0.000446938
 C     -0.561145     -0.449473      0.586216    0.00  -0.000453997  -0.000089514  -0.000046437
 C     -0.280126      0.856028      1.370725    0.00  -0.000196233   0.000095423  -0.000030247
 H     -2.543913      0.929464     -1.920007    0.00  -0.000035111   0.000010564   0.000004444
 H     -2.428431      2.296727      0.188905    0.00  -0.000043782   0.000021670   0.000016817
 H     -1.462132      3.022394     -1.100241    0.00  -0.000016169   0.000019698   0.000021302
 H      0.633664      2.077444     -0.166219    0.00  -0.000010742   0.000010299   0.000002941
 H     -0.212333      3.003467      1.085235    0.00  -0.000013538   0.000018718   0.000007626
 H     -2.670560     -0.250430      0.315507    0.00  -0.000073125   0.000007823  -0.000024803
 H     -1.048727      0.930217      2.167381    0.00  -0.000028387   0.000020100   0.000002648
 H      0.688861      0.759979      1.904119    0.00  -0.000002503  -0.000000092   0.000004728
 H     -0.782823      0.751181     -1.929594    0.00  -0.000002637   0.000013014  -0.000022999
 O     -0.741894     -1.442621      1.577365    0.00   0.001002865   0.001319585   0.001557518
 C     -1.973792     -1.652313     -1.167614    0.00  -0.000614348   0.000011258  -0.000536446
 H     -2.012779     -2.536375     -0.518769    0.00  -0.000019220   0.000014018  -0.000003739
 H     -2.916431     -1.621649     -1.726912    0.00  -0.000040660   0.000001490  -0.000075816
 H     -1.165506     -1.799782     -1.894166    0.00  -0.000071550  -0.000010297  -0.000029649
 H     -0.464568     -2.349111      1.274204    0.00  -0.000048816  -0.000833240  -0.000108808
 O      0.765643     -0.621343      0.029524    0.00  -0.001319447  -0.002196726   0.001258783
 O      0.957806     -1.552137     -1.014802    0.00   0.000248491  -0.002170016  -0.001753787
 C      1.252084     -2.841838     -0.598251    0.00   0.001051124   0.005876261   0.000658331
 H      1.883436     -3.268579     -1.388900    0.00   0.000259306   0.001547041   0.000453097
 O      0.799958     -3.384922      0.378636    0.00   0.001957625  -0.004150334  -0.000939078
26
 Energy =      -0.201142641312
 C     -0.278495      2.088074      0.465773    0.00  -0.000176866   0.000155647   0.000028714
 C     -1.522797      2.143856     -0.429076    0.00  -0.000321687   0.000199777   0.000099935
 C     -1.658987      0.861852     -1.260682    0.00  -0.000374768   0.000085260  -0.000162664
 C     -1.776145     -0.377570     -0.355653    0.00  -0.000629078  -0.000042809  -0.000479966
 C     -0.560378     -0.450313      0.586267    0.00  -0.000408711  -0.000159906  -0.000074665
 C     -0.280028      0.855581      1.370532    0.00  -0.000155119   0.000051347  -0.000047580
 H     -2.543766      0.928327     -1.920136    0.00  -0.000037685   0.000010051   0.000002619
 H     -2.428677      2.295155      0.188849    0.00  -0.000045560   0.000022634   0.000016864
 H     -1.462774      3.021616     -1.100156    0.00  -0.000014666   0.000021339   0.000021938
 H      0.633529      2.077078     -0.166384    0.00  -0.000008142   0.000010309   0.000000886
 H     -0.212709      3.002930      1.084998    0.00  -0.000009367   0.000019555   0.000004455
 H     -2.669335     -0.252318      0.314792    0.00  -0.000073347   0.000003723  -0.000027438
 H     -1.048846      0.929332      2.167059    0.00  -0.000023235   0.000017521   0.000000551
 H      0.688840      0.759987      1.904266    0.00   0.000003986  -0.000004702   0.000003626
 H     -0.782609      0.751190     -1.930402    0.00  -0.000002633   0.000011586  -0.000025724
 O     -0.746210     -1.442220      1.577980    0.00   0.000951580   0.001360826   0.001493242
 C     -1.972333     -1.653387     -1.168647    0.00  -0.000617784  -0.000029636  -0.000546231
 H     -2.012527     -2.537001     -0.519131    0.00  -0.000026308   0.000000644  -0.000013279
 H     -2.914666     -1.622263     -1.728497    0.00  -0.000043135  -0.000002955  -0.000063137
 H     -1.163962     -1.801362     -1.894769    0.00  -0.000064926  -0.000004351  -0.000034546
 H     -0.443714     -2.344859      1.287503    0.00  -0.000008311  -0.000850171  -0.000103910
 O      0.768124     -0.623102      0.034038    0.00  -0.001389110  -0.002176973   0.001249642
 O      0.961871     -1.549606     -1.014654    0.00   0.000405090  -0.001678303  -0.001390598
 C      1.240026     -2.843672     -0.606447    0.00   0.001085791   0.005377950   0.000686443
 H      1.844970     -3.280271     -1.412461    0.00   0.000276428   0.001386234   0.000446078
 O      0.804818     -3.379178      0.382556    0.00   0.001707563  -0.003784596  -0.001085257
26
 Energy =       -0.20159495435
 C     -0.278638      2.087539      0.465529    0.00  -0.000141366   0.000145881   0.000002421
 C     -1.522992      2.142823     -0.429247    0.00  -0.000313707   0.000201873   0.000085808
 C     -1.658430      0.860963     -1.261191    0.00  -0.000379590   0.000067073  -0.000193382
 C     -1.774537     -0.378747     -0.356567    0.00  -0.000617848  -0.000088496  -0.000502837
 C     -0.559437     -0.451025      0.586394    0.00  -0.000355860  -0.000223755  -0.000088228
 C     -0.279853      0.855255      1.370370    0.00  -0.000109855   0.000005650  -0.000064327
 H     -2.543515      0.927047     -1.920318    0.00  -0.000040070   0.000009248  -0.000000124
 H     -2.428940      2.293403      0.188765    0.00  -0.000046837   0.000023390   0.000016517
 H     -1.463533      3.020803     -1.100085    0.00  -0.000012938   0.000022774   0.000022168
 H      0.633392      2.076781     -0.166613    0.00  -0.000005463   0.000010142  -0.000001281
 H     -0.213122      3.002500      1.084644    0.00  -0.000004937   0.000020165   0.000000967
 H     -2.667887     -0.254288      0.314038    0.00  -0.000072079   0.000000544  -0.000029634
 H     -1.048937      0.928589      2.166724    0.00  -0.000017339   0.000014285  -0.000001692
 H      0.688866      0.760243      1.904495    0.00   0.000010429  -0.000009124   0.000002152
 H     -0.782282      0.751232     -1.931301    0.00  -0.000003089   0.000009259  -0.000028114
 O     -0.750830     -1.441857      1.578489    0.00   0.000875691   0.001411331   0.001420257
 C     -1.970658     -1.654510     -1.169699    0.00  -0.000616804  -0.000077585  -0.000551712
 H     -2.011635     -2.537673     -0.519465    0.00  -0.000033869  -0.000014632  -0.000023534
 H     -2.912878     -1.623084     -1.729774    0.00  -0.000046341  -0.000007758  -0.000048682
 H     -1.162425     -1.802862     -1.895665    0.00  -0.000056645   0.000001347  -0.000039681
 H     -0.421072     -2.339488      1.302265    0.00   0.000039345  -0.000870472  -0.000099666
 O      0.770811     -0.625144      0.038865    0.00  -0.001446426  -0.002120883   0.001251010
 O      0.965012     -1.547069     -1.014586    0.00   0.000549869  -0.001207556  -0.001044012
 C      1.227907     -2.845216     -0.614396    0.00   0.001094972   0.004875590   0.000690696
 H      1.806715     -3.290822     -1.434711    0.00   0.000284825   0.001230071   0.000430488
 O      0.809930     -3.373577      0.386100    0.00   0.001465933  -0.003428361  -0.001205579
26
 Energy =      -0.202013048928
 C     -0.278765      2.087089      0.465226    0.00  -0.000103967   0.000133801  -0.000025203
 C     -1.523187      2.141747     -0.429469    0.00  -0.000301055   0.000200728   0.000067972
 C     -1.657728      0.860035     -1.261774    0.00  -0.000380445   0.000045443  -0.000223613
 C     -1.772699     -0.379919     -0.357508    0.00  -0.000593084  -0.000129737  -0.000513496
 C     -0.558348     -0.451582      0.586625    0.00  -0.000297370  -0.000277824  -0.000086934
 C     -0.279597      0.855080      1.370249    0.00  -0.000062605  -0.000039654  -0.000080244
 H     -2.543122      0.925629     -1.920581    0.00  -0.000042115   0.000008147  -0.000003799
 H     -2.429218      2.291476      0.188645    0.00  -0.000047428   0.000023858   0.000015683
 H     -1.464411      3.019972     -1.100040    0.00  -0.000011057   0.000023874   0.000021865
 H      0.633260      2.076568     -0.166912    0.00  -0.000002814   0.000009771  -0.000003490
 H     -0.213566      3.002210      1.084157    0.00  -0.000000452   0.000020470  -0.000002689
 H     -2.666245     -0.256310      0.313233    0.00  -0.000069225  -0.000001597  -0.000031243
 H     -1.048987      0.928043      2.166389    0.00  -0.000010949   0.000010557  -0.000004048
 H      0.688953      0.760783      1.904801    0.00   0.000016569  -0.000013163   0.000000300
 H     -0.781803      0.751305     -1.932269    0.00  -0.000004059   0.000005994  -0.000030016
 O     -0.755765     -1.441583      1.578841    0.00   0.000769916   0.001474351   0.001336771
 C     -1.968738     -1.655669     -1.170746    0.00  -0.000610798  -0.000131290  -0.000551645
 H     -2.009937     -2.538381     -0.519737    0.00  -0.000041685  -0.000031580  -0.000034331
 H     -2.911093     -1.624178     -1.730629    0.00  -0.000050334  -0.000012820  -0.000032607
 H     -1.160914     -1.804198     -1.896895    0.00  -0.000046715   0.000006659  -0.000044847
 H     -0.396358     -2.332748      1.318697    0.00   0.000096195  -0.000894595  -0.000095511
 O      0.773643     -0.627503      0.043991    0.00  -0.001486724  -0.002030736   0.001259074
 O      0.967143     -1.544542     -1.014609    0.00   0.000676278  -0.000774716  -0.000723743
 C      1.215851     -2.846469     -0.622060    0.00   0.001080890   0.004386600   0.000676372
 H      1.769030     -3.300203     -1.455581    0.00   0.000285161   0.001083615   0.000407866
 O      0.815286     -3.368157      0.389247    0.00   0.001237871  -0.003096157  -0.001298444
26
 Energy =      -0.202400814252
 C     -0.278867      2.086752      0.464859    0.00  -0.000066475   0.000119497  -0.000052998
 C     -1.523373      2.140649     -0.429749    0.00  -0.000283708   0.000195743   0.000046614
 C     -1.656865      0.859086     -1.262422    0.00  -0.000376587   0.000020976  -0.000251766
 C     -1.770665     -0.381052     -0.358450    0.00  -0.000554758  -0.000164745  -0.000510807
 C     -0.557155     -0.451959      0.586982    0.00  -0.000235929  -0.000319448  -0.000072235
 C     -0.279254      0.855084      1.370176    0.00  -0.000016109  -0.000082536  -0.000094949
 H     -2.542545      0.924090     -1.920951    0.00  -0.000043669   0.000006762  -0.000008285
 H     -2.429498      2.289401      0.188478    0.00  -0.000047167   0.000023955   0.000014305
 H     -1.465395      3.019142     -1.100032    0.00  -0.000009123   0.000024500   0.000020912
 H      0.633144      2.076460     -0.167287    0.00  -0.000000323   0.000009171  -0.000005649
 H     -0.214029      3.002088      1.083526    0.00   0.000003841   0.000020400  -0.000006330
 H     -2.664462     -0.258332      0.312371    0.00  -0.000064804  -0.000002694  -0.000032142
 H     -1.048983      0.927749      2.166066    0.00  -0.000004385   0.000006574  -0.000006452
 H      0.689109      0.761630      1.905172    0.00   0.000022149  -0.000016664  -0.000001892
 H     -0.781132      0.751397     -1.933268    0.00  -0.000005526   0.000001874  -0.000031299
 O     -0.761008     -1.441477      1.578960    0.00   0.000628559   0.001552427   0.001239328
 C     -1.966561     -1.656842     -1.171748    0.00  -0.000599212  -0.000188518  -0.000544788
 H     -2.007263     -2.539112     -0.519906    0.00  -0.000049420  -0.000049731  -0.000045441
 H     -2.909350     -1.625620     -1.730940    0.00  -0.000055063  -0.000018042  -0.000015199
 H     -1.159462     -1.805273     -1.898489    0.00  -0.000035270   0.000011523  -0.000049741
 H     -0.369346     -2.324344      1.336997    0.00   0.000164322  -0.000921581  -0.000090445
 O      0.776538     -0.630189      0.049373    0.00  -0.001506119  -0.001911666   0.001268517
 O      0.968213     -1.542053     -1.014720    0.00   0.000779226  -0.000393848  -0.000437585
 C      1.203994     -2.847447     -0.629393    0.00   0.001047807   0.003926769   0.000650646
 H      1.732292     -3.308406     -1.475012    0.00   0.000278735   0.000951146   0.000380503
 O      0.820872     -3.362962      0.391990    0.00   0.001029005  -0.002801842  -0.001362822
26
 Energy =      -0.202762912463
 C     -0.278933      2.086546      0.464430    0.00  -0.000031057   0.000103163  -0.000079536
 C     -1.523533      2.139562     -0.430092    0.00  -0.000262151   0.000186453   0.000022305
 C     -1.655832      0.858139     -1.263127    0.00  -0.000367491  -0.000005298  -0.000276217
 C     -1.768496     -0.382101     -0.359361    0.00  -0.000504111  -0.000192282  -0.000494895
 C     -0.555912     -0.452141      0.587480    0.00  -0.000174564  -0.000346894  -0.000047087
 C     -0.278821      0.855281      1.370155    0.00   0.000026525  -0.000121169  -0.000107739
 H     -2.541747      0.922462     -1.921457    0.00  -0.000044572   0.000005130  -0.000013330
 H     -2.429769      2.287227      0.188252    0.00  -0.000045945   0.000023611   0.000012363
 H     -1.466456      3.018337     -1.100073    0.00  -0.000007255   0.000024518   0.000019248
 H      0.633054      2.076463     -0.167733    0.00   0.000001852   0.000008324  -0.000007652
 H     -0.214495      3.002153      1.082748    0.00   0.000007677   0.000019887  -0.000009741
 H     -2.662612     -0.260294      0.311451    0.00  -0.000058978  -0.000002880  -0.000032289
 H     -1.048910      0.927751      2.165765    0.00   0.000001991   0.000002592  -0.000008813
 H      0.689345      0.762791      1.905588    0.00   0.000026918  -0.000019523  -0.000004324
 H     -0.780238      0.751495     -1.934249    0.00  -0.000007400  -0.000002885  -0.000031884
 O     -0.766519     -1.441640      1.578754    0.00   0.000446904   0.001645750   0.001122831
 C     -1.964133     -1.658001     -1.172665    0.00  -0.000581619  -0.000246180  -0.000530130
 H     -2.003474     -2.539846     -0.519928    0.00  -0.000056641  -0.000068347  -0.000056593
 H     -2.907702     -1.627477     -1.730584    0.00  -0.000060346  -0.000023328   0.000003099
 H     -1.158113     -1.805980     -1.900464    0.00  -0.000022594   0.000015963  -0.000053995
 H     -0.339946     -2.313967      1.357321    0.00   0.000244751  -0.000948069  -0.000083055
 O      0.779403     -0.633184      0.054933    0.00  -0.001501947  -0.001771311   0.001272966
 O      0.968230     -1.539626     -1.014911    0.00   0.000855886  -0.000073885  -0.000190573
 C      1.192469     -2.848182     -0.636338    0.00   0.001001298   0.003507972   0.000622402
 H      1.696844     -3.315471     -1.492966    0.00   0.000267451   0.000835528   0.000351295
 O      0.826669     -3.358023      0.394351    0.00   0.000845416  -0.002556841  -0.001398656
26
 Energy =      -0.203104098789
 C     -0.278952      2.086480      0.463947    0.00  -0.000000079   0.000085061  -0.000103177
 C     -1.523651      2.138524     -0.430499    0.00  -0.000237389   0.000172595  -0.000003999
 C     -1.654637      0.857221     -1.263872    0.00  -0.000352987  -0.000032056  -0.000295628
 C     -1.766266     -0.383026     -0.360209    0.00  -0.000443625  -0.000211767  -0.000467319
 C     -0.554680     -0.452127      0.588119    0.00  -0.000116427  -0.000359572  -0.000015420
 C     -0.278307      0.855669      1.370190    0.00   0.000062228  -0.000154130  -0.000117359
 H     -2.540707      0.920792     -1.922114    0.00  -0.000044696   0.000003323  -0.000018579
 H     -2.430015      2.285024      0.187959    0.00  -0.000043736   0.000022783   0.000009900
 H     -1.467551      3.017583     -1.100176    0.00  -0.000005573   0.000023809   0.000016872
 H      0.633004      2.076579     -0.168240    0.00   0.000003522   0.000007233  -0.000009367
 H     -0.214942      3.002408      1.081841    0.00   0.000010796   0.000018892  -0.000012717
 H     -2.660778     -0.262128      0.310480    0.00  -0.000052019  -0.000002382  -0.000031735
 H     -1.048760      0.928072      2.165497    0.00   0.000007831  -0.000001158  -0.000010988
 H      0.689668      0.764244      1.906027    0.00   0.000030654  -0.000021698  -0.000006827
 H     -0.779100      0.751584     -1.935157    0.00  -0.000009521  -0.000007969  -0.000031753
 O     -0.772224     -1.442192      1.578108    0.00   0.000223588   0.001749997   0.000981334
 C     -1.961484     -1.659116     -1.173450    0.00  -0.000557793  -0.000300604  -0.000507196
 H     -1.998484     -2.540557     -0.519765    0.00  -0.000062877  -0.000086458  -0.000067463
 H     -2.906205     -1.629801     -1.729464    0.00  -0.000065849  -0.000028564   0.000021682
 H     -1.156915     -1.806220     -1.902809    0.00  -0.000009109   0.000020062  -0.000057251
 H     -0.308309     -2.301329      1.379725    0.00   0.000336063  -0.000967497  -0.000071584
 O      0.782147     -0.636433      0.060571    0.00  -0.001472746  -0.001618124   0.001265430
 O      0.967265     -1.537298     -1.015162    0.00   0.000906040   0.000182564   0.000015794
 C      1.181376     -2.848718     -0.642839    0.00   0.000947317   0.003136274   0.000600830
 H      1.662918     -3.321486     -1.509444    0.00   0.000253516   0.000737672   0.000323380
 O      0.832646     -3.353348      0.396390    0.00   0.000692871  -0.002368287  -0.001406862
26
 Energy =      -0.203428367177
 C     -0.278914      2.086552      0.463421    0.00   0.000024059   0.000065541  -0.000122107
 C     -1.523710      2.137568     -0.430963    0.00  -0.000210838   0.000154128  -0.000031102
 C     -1.653296      0.856363     -1.264636    0.00  -0.000333332  -0.000057916  -0.000309228
 C     -1.764055     -0.383789     -0.360963    0.00  -0.000376633  -0.000223066  -0.000430818
 C     -0.553512     -0.451926      0.588880    0.00  -0.000064462  -0.000357998   0.000018493
 C     -0.277721      0.856225      1.370280    0.00   0.000088376  -0.000180311  -0.000121861
 H     -2.539416      0.919132     -1.922930    0.00  -0.000043959   0.000001410  -0.000023664
 H     -2.430215      2.282865      0.187590    0.00  -0.000040616   0.000021461   0.000007016
 H     -1.468620      3.016904     -1.100344    0.00  -0.000004187   0.000022280   0.000013854
 H      0.633007      2.076792     -0.168788    0.00   0.000004482   0.000005902  -0.000010643
 H     -0.215344      3.002839      1.080834    0.00   0.000012955   0.000017387  -0.000015075
 H     -2.659040     -0.263771      0.309473    0.00  -0.000044262  -0.000001468  -0.000030616
 H     -1.048533      0.928708      2.165269    0.00   0.000012837  -0.000004497  -0.000012770
 H      0.690081      0.765947      1.906463    0.00   0.000033137  -0.000023177  -0.000009162
 H     -0.777716      0.751650     -1.935948    0.00  -0.000011690  -0.000013012  -0.000030963
 O     -0.778014     -1.443262      1.576899    0.00  -0.000035908   0.001854429   0.000810294
 C     -1.958663     -1.660160     -1.174069    0.00  -0.000527700  -0.000347960  -0.000476262
 H     -1.992285     -2.541225     -0.519397    0.00  -0.000067706  -0.000102935  -0.000077693
 H     -2.904916     -1.632617     -1.727524    0.00  -0.000071112  -0.000033586   0.000039816
 H     -1.155923     -1.805926     -1.905501    0.00   0.000004673   0.000023950  -0.000059222
 H     -0.274903     -2.286237      1.404125    0.00   0.000432748  -0.000970172  -0.000054356
 O      0.784699     -0.639855      0.066176    0.00  -0.001417874  -0.001459508   0.001238916
 O      0.965438     -1.535089     -1.015446    0.00   0.000931653   0.000379321   0.000183308
 C      1.170756     -2.849109     -0.648845    0.00   0.000891069   0.002810830   0.000593622
 H      1.630566     -3.326586     -1.524491    0.00   0.000238969   0.000656341   0.000299524
 O      0.838784     -3.348908      0.398210    0.00   0.000575320  -0.002237374  -0.001389301
26
 Energy =      -0.203738126722
 C     -0.278812      2.086738      0.462877    0.00   0.000039124   0.000044969  -0.000134389
 C     -1.523691      2.136718     -0.431475    0.00  -0.000184130   0.000131186  -0.000057738
 C     -1.651832      0.855586     -1.265401    0.00  -0.000309166  -0.000081651  -0.000316958
 C     -1.761929     -0.384369     -0.361610    0.00  -0.000306882  -0.000226252  -0.000388887
 C     -0.552449     -0.451565      0.589737    0.00  -0.000021311  -0.000343546   0.000050668
 C     -0.277080      0.856908      1.370433    0.00   0.000103058  -0.000198631  -0.000118721
 H     -2.537885      0.917530     -1.923899    0.00  -0.000042336  -0.000000545  -0.000028287
 H     -2.430354      2.280822      0.187144    0.00  -0.000036737   0.000019682   0.000003837
 H     -1.469601      3.016314     -1.100577    0.00  -0.000003190   0.000019857   0.000010303
 H      0.633079      2.077071     -0.169352    0.00   0.000004518   0.000004331  -0.000011299
 H     -0.215679      3.003408      1.079765    0.00   0.000013949   0.000015366  -0.000016654
 H     -2.657455     -0.265174      0.308440    0.00  -0.000036062  -0.000000395  -0.000029121
 H     -1.048233      0.929629      2.165088    0.00   0.000016750  -0.000007293  -0.000013881
 H      0.690576      0.767834      1.906883    0.00   0.000034140  -0.000023933  -0.000010987
 H     -0.776100      0.751681     -1.936585    0.00  -0.000013698  -0.000017682  -0.000029625
 O     -0.783760     -1.444959      1.575014    0.00  -0.000316303   0.001941861   0.000609811
 C     -1.955727     -1.661111     -1.174501    0.00  -0.000491477  -0.000384491  -0.000438397
 H     -1.984933     -2.541834     -0.518831    0.00  -0.000070810  -0.000116602  -0.000086886
 H     -2.903879     -1.635919     -1.724747    0.00  -0.000075600  -0.000038186   0.000056687
 H     -1.155187     -1.805060     -1.908511    0.00   0.000018207   0.000027779  -0.000059730
 H     -0.240537     -2.268671      1.430256    0.00   0.000524742  -0.000945103  -0.000030430
 O      0.787024     -0.643356      0.071642    0.00  -0.001336763  -0.001300054   0.001186939
 O      0.962885     -1.533013     -1.015741    0.00   0.000935763   0.000525032   0.000316111
 C      1.160576     -2.849403     -0.654318    0.00   0.000836011   0.002524402   0.000604985
 H      1.599628     -3.330945     -1.538200    0.00   0.000225151   0.000588444   0.000281488
 O      0.845076     -3.344637      0.399940    0.00   0.000493053  -0.002158545  -0.001348838
26
 Energy =      -0.204033669619
 C     -0.278640      2.087004      0.462338    0.00   0.000043289   0.000023679  -0.000138052
 C     -1.523575      2.135987     -0.432026    0.00  -0.000158941   0.000103991  -0.000082768
 C     -1.650261      0.854906     -1.266155    0.00  -0.000281401  -0.000102313  -0.000319439
 C     -1.759931     -0.384758     -0.362145    0.00  -0.000238225  -0.000221500  -0.000345333
 C     -0.551508     -0.451082      0.590656    0.00   0.000010859  -0.000317936   0.000077848
 C     -0.276405      0.857663      1.370658    0.00   0.000105245  -0.000207834  -0.000105309
 H     -2.536127      0.916029     -1.925015    0.00  -0.000039825  -0.000002479  -0.000032233
 H     -2.430414      2.278947      0.186619    0.00  -0.000032289   0.000017501   0.000000474
 H     -1.470431      3.015824     -1.100870    0.00  -0.000002664   0.000016478   0.000006372
 H      0.633230      2.077368     -0.169897    0.00   0.000003440   0.000002504  -0.000011150
 H     -0.215922      3.004069      1.078676    0.00   0.000013625   0.000012834  -0.000017288
 H     -2.656058     -0.266302      0.307390    0.00  -0.000027777   0.000000631  -0.000027470
 H     -1.047875      0.930785      2.164966    0.00   0.000019335  -0.000009389  -0.000014009
 H      0.691142      0.769832      1.907284    0.00   0.000033451  -0.000023902  -0.000011853
 H     -0.774262      0.751672     -1.937054    0.00  -0.000015369  -0.000021731  -0.000027911
 O     -0.789329     -1.447361      1.572367    0.00  -0.000591914   0.001991442   0.000387844
 C     -1.952730     -1.661958     -1.174742    0.00  -0.000449369  -0.000406597  -0.000395288
 H     -1.976515     -2.542373     -0.518097    0.00  -0.000071947  -0.000126355  -0.000094620
 H     -2.903127     -1.639691     -1.721143    0.00  -0.000078752  -0.000042109   0.000071483
 H     -1.154759     -1.803609     -1.911821    0.00   0.000030956   0.000031704  -0.000058686
 H     -0.206289     -2.248846      1.457665    0.00   0.000598640  -0.000883661  -0.000000504
 O      0.789115     -0.646842      0.076883    0.00  -0.001228678  -0.001141010   0.001104227
 O      0.959724     -1.531072     -1.016029    0.00   0.000921124   0.000630757   0.000419133
 C      1.150742     -2.849636     -0.659233    0.00   0.000783328   0.002265318   0.000634274
 H      1.569771     -3.334750     -1.550688    0.00   0.000212469   0.000529776   0.000269660
 O      0.851546     -3.340433      0.401727    0.00   0.000441392  -0.002119800  -0.001289403
26
 Energy =      -0.204313210669
 C     -0.278391      2.087304      0.461834    0.00   0.000035478   0.000001777  -0.000131308
 C     -1.523340      2.135377     -0.432602    0.00  -0.000136813   0.000072836  -0.000105266
 C     -1.648591      0.854331     -1.266898    0.00  -0.000251145  -0.000119325  -0.000317705
 C     -1.758079     -0.384958     -0.362588    0.00  -0.000174229  -0.000208932  -0.000303730
 C     -0.550693     -0.450520      0.591607    0.00   0.000030560  -0.000283331   0.000097403
 C     -0.275725      0.858428      1.370972    0.00   0.000095044  -0.000206642  -0.000079751
 H     -2.534148      0.914663     -1.926271    0.00  -0.000036474  -0.000004360  -0.000035384
 H     -2.430379      2.277275      0.186008    0.00  -0.000027507   0.000015016  -0.000002950
 H     -1.471042      3.015433     -1.101208    0.00  -0.000002660   0.000012108   0.000002196
 H      0.633476      2.077621     -0.170378    0.00   0.000001164   0.000000359  -0.000010019
 H     -0.216051      3.004762      1.077616    0.00   0.000011912   0.000009823  -0.000016832
 H     -2.654850     -0.267138      0.306317    0.00  -0.000019770   0.000001468  -0.000025848
 H     -1.047488      0.932111      2.164919    0.00   0.000020389  -0.000010515  -0.000012867
 H      0.691755      0.771852      1.907684    0.00   0.000030952  -0.000023007  -0.000011214
 H     -0.772211      0.751626     -1.937351    0.00  -0.000016546  -0.000024959  -0.000026007
 O     -0.794604     -1.450495      1.568915    0.00  -0.000830362   0.001984258   0.000161423
 C     -1.949717     -1.662698     -1.174804    0.00  -0.000401715  -0.000410909  -0.000349003
 H     -1.967122     -2.542843     -0.517252    0.00  -0.000070884  -0.000131265  -0.000100493
 H     -2.902686     -1.643906     -1.716735    0.00  -0.000080057  -0.000045138   0.000083444
 H     -1.154691     -1.801578     -1.915441    0.00   0.000042401   0.000035903  -0.000056008
 H     -0.173365     -2.227262      1.485733    0.00   0.000640933  -0.000783943   0.000032388
 O      0.790989     -0.650221      0.081827    0.00  -0.001093221  -0.000980917   0.000987938
 O      0.956026     -1.529261     -1.016307    0.00   0.000889224   0.000707658   0.000496697
 C      1.141117     -2.849827     -0.663581    0.00   0.000731760   0.002020337   0.000675885
 H      1.540555     -3.338186     -1.562065    0.00   0.000200436   0.000475855   0.000263083
 O      0.858256     -3.336187      0.403717    0.00   0.000411128  -0.002104155  -0.001216071
26
 Energy =      -0.204573574298
 C     -0.278060      2.087579      0.461411    0.00   0.000015997  -0.000020940  -0.000113141
 C     -1.522956      2.134882     -0.433193    0.00  -0.000119041   0.000038106  -0.000124573
 C     -1.646814      0.853866     -1.267635    0.00  -0.000219627  -0.000132482  -0.000312876
 C     -1.756372     -0.384980     -0.362967    0.00  -0.000117898  -0.000188921  -0.000266808
 C     -0.549993     -0.449929      0.592558    0.00   0.000037797  -0.000242009   0.000107588
 C     -0.275077      0.859132      1.371402    0.00   0.000073959  -0.000194337  -0.000041722
 H     -2.531940      0.913461     -1.927670    0.00  -0.000032355  -0.000006167  -0.000037661
 H     -2.430227      2.275826      0.185301    0.00  -0.000022616   0.000012321  -0.000006336
 H     -1.471355      3.015139     -1.101571    0.00  -0.000003214   0.000006771  -0.000002078
 H      0.633841      2.077756     -0.170735    0.00  -0.000002224  -0.000002214  -0.000007811
 H     -0.216045      3.005418      1.076641    0.00   0.000008906   0.000006397  -0.000015153
 H     -2.653816     -0.267668      0.305210    0.00  -0.000012399   0.000002065  -0.000024377
 H     -1.047116      0.933521      2.164960    0.00   0.000019812  -0.000010309  -0.000010303
 H      0.692368      0.773791      1.908129    0.00   0.000026725  -0.000021224  -0.000008545
 H     -0.769942      0.751548     -1.937488    0.00  -0.000017124  -0.000027234  -0.000024099
 O     -0.799492     -1.454336      1.564662    0.00  -0.001000644   0.001909353  -0.000046183
 C     -1.946728     -1.663332     -1.174717    0.00  -0.000348849  -0.000394627  -0.000301735
 H     -1.956833     -2.543248     -0.516365    0.00  -0.000067384  -0.000130669  -0.000104121
 H     -2.902593     -1.648537     -1.711538    0.00  -0.000079088  -0.000047115   0.000091884
 H     -1.155052     -1.798972     -1.919416    0.00   0.000052021   0.000040461  -0.000051589
 H     -0.142920     -2.204678      1.513714    0.00   0.000642237  -0.000653475   0.000063086
 O      0.792670     -0.653407      0.086399    0.00  -0.000931995  -0.000816994   0.000839245
 O      0.951807     -1.527583     -1.016585    0.00   0.000840143   0.000765205   0.000551636
 C      1.131565     -2.849980     -0.667352    0.00   0.000677779   0.001777577   0.000720610
 H      1.511543     -3.341426     -1.572402    0.00   0.000188083   0.000422775   0.000259757
 O      0.865302     -3.331791      0.406048    0.00   0.000390998  -0.002092315  -0.001134695
26
 Energy =       -0.20481131817
 C     -0.277636      2.087764      0.461121    0.00  -0.000012878  -0.000044985  -0.000083980
 C     -1.522380      2.134494     -0.433786    0.00  -0.000106379   0.000000428  -0.000140336
 C     -1.644912      0.853518     -1.268380    0.00  -0.000188099  -0.000142028  -0.000305792
 C     -1.754799     -0.384839     -0.363324    0.00  -0.000071092  -0.000162099  -0.000235615
 C     -0.549395     -0.449358      0.593478    0.00   0.000034503  -0.000196341   0.000108090
 C     -0.274516      0.859697      1.371982    0.00   0.000045094  -0.000171408   0.000006843
 H     -2.529488      0.912462     -1.929218    0.00  -0.000027608  -0.000007904  -0.000039044
 H     -2.429933      2.274620      0.184484    0.00  -0.000017861   0.000009513  -0.000009568
 H     -1.471267      3.014942     -1.101934    0.00  -0.000004295   0.000000619  -0.000006300
 H      0.634355      2.077690     -0.170883    0.00  -0.000006397  -0.000005338  -0.000004573
 H     -0.215882      3.005958      1.075825    0.00   0.000004905   0.000002663  -0.000012214
 H     -2.652931     -0.267885      0.304043    0.00  -0.000005939   0.000002477  -0.000023071
 H     -1.046841      0.934908      2.165101    0.00   0.000017724  -0.000008417  -0.000006381
 H      0.692907      0.775530      1.908700    0.00   0.000021135  -0.000018642  -0.000003527
 H     -0.767438      0.751449     -1.937481    0.00  -0.000017095  -0.000028497  -0.000022302
 O     -0.803932     -1.458806      1.559667    0.00  -0.001082916   0.001767632  -0.000212247
 C     -1.943812     -1.663858     -1.174524    0.00  -0.000291093  -0.000356305  -0.000255503
 H     -1.945742     -2.543588     -0.515526    0.00  -0.000061267  -0.000124260  -0.000105153
 H     -2.902893     -1.653545     -1.705572    0.00  -0.000075547  -0.000047936   0.000096195
 H     -1.155937     -1.795805     -1.923813    0.00   0.000059302   0.000045250  -0.000045333
 H     -0.115892     -2.182041      1.540787    0.00   0.000600983  -0.000508237   0.000085759
 O      0.794170     -0.656304      0.090496    0.00  -0.000750397  -0.000646772   0.000664843
 O      0.947034     -1.526059     -1.016893    0.00   0.000773411   0.000809983   0.000585265
 C      1.121987     -2.850091     -0.670520    0.00   0.000616209   0.001528885   0.000758090
 H      1.482401     -3.344626     -1.581703    0.00   0.000174311   0.000367858   0.000257063
 O      0.872806     -3.327160      0.408837    0.00   0.000371285  -0.002066140  -0.001051211
26
 Energy =      -0.205023853673
 C     -0.277105      2.087790      0.461043    0.00  -0.000046768  -0.000070771  -0.000046217
 C     -1.521550      2.134200     -0.434362    0.00  -0.000098665  -0.000039150  -0.000152528
 C     -1.642849      0.853297     -1.269147    0.00  -0.000157714  -0.000148671  -0.000296673
 C     -1.753351     -0.384547     -0.363708    0.00  -0.000033940  -0.000129667  -0.000209007
 C     -0.548887     -0.448855      0.594333    0.00   0.000024695  -0.000148100   0.000100416
 C     -0.274105      0.860041      1.372753    0.00   0.000012788  -0.000139827   0.000061613
 H     -2.526761      0.911717     -1.930922    0.00  -0.000022427  -0.000009573  -0.000039567
 H     -2.429459      2.273678      0.183532    0.00  -0.000013418   0.000006679  -0.000012570
 H     -1.470646      3.014838     -1.102263    0.00  -0.000005813  -0.000006034  -0.000010304
 H      0.635062      2.077336     -0.170699    0.00  -0.000010791  -0.000009080  -0.000000551
 H     -0.215547      3.006301      1.075269    0.00   0.000000442  -0.000001207  -0.000008134
 H     -2.652171     -0.267777      0.302787    0.00  -0.000000523   0.000002881  -0.000021823
 H     -1.046779      0.936141      2.165339    0.00   0.000014510  -0.000004729  -0.000001483
 H      0.693260      0.776929      1.909522    0.00   0.000014814  -0.000015461   0.000003686
 H     -0.764669      0.751343     -1.937349    0.00  -0.000016591  -0.000028836  -0.000020625
 O     -0.807884     -1.463777      1.554050    0.00  -0.001075935   0.001571747  -0.000322519
 C     -1.941043     -1.664268     -1.174290    0.00  -0.000228779  -0.000296832  -0.000211792
 H     -1.933998     -2.543857     -0.514842    0.00  -0.000052571  -0.000112206  -0.000103228
 H     -2.903649     -1.658849     -1.698883    0.00  -0.000069293  -0.000047457   0.000095884
 H     -1.157460     -1.792108     -1.928707    0.00   0.000063807   0.000049734  -0.000037300
 H     -0.092858     -2.160353      1.566135    0.00   0.000524820  -0.000367747   0.000096249
 O      0.795473     -0.658807      0.093980    0.00  -0.000558688  -0.000469863   0.000477353
 O      0.941641     -1.524736     -1.017281    0.00   0.000689152   0.000845027   0.000598217
 C      1.112362     -2.850153     -0.673042    0.00   0.000542144   0.001271634   0.000778939
 H      1.453001     -3.347929     -1.589885    0.00   0.000158159   0.000310161   0.000252219
 O      0.880898     -3.322233      0.412187    0.00   0.000346583  -0.002012651  -0.000970254
26
 Energy =      -0.205210209068
 C     -0.276447      2.087594      0.461276    0.00  -0.000079893  -0.000097960  -0.000004255
 C     -1.520392      2.133998     -0.434900    0.00  -0.000094439  -0.000078883  -0.000161452
 C     -1.640592      0.853218     -1.269948    0.00  -0.000129251  -0.000153371  -0.000284987
 C     -1.752040     -0.384120     -0.364167    0.00  -0.000004590  -0.000093186  -0.000183886
 C     -0.548482     -0.448464      0.595081    0.00   0.000012911  -0.000098702   0.000087856
 C     -0.273925      0.860078      1.373757    0.00  -0.000018312  -0.000102825   0.000116270
 H     -2.523719      0.911300     -1.932791    0.00  -0.000017074  -0.000011191  -0.000039373
 H     -2.428754      2.273035      0.182424    0.00  -0.000009374   0.000003877  -0.000015272
 H     -1.469332      3.014829     -1.102520    0.00  -0.000007588  -0.000012695  -0.000013937
 H      0.636023      2.076628     -0.170026    0.00  -0.000014698  -0.000013347   0.000003828
 H     -0.215033      3.006361      1.075102    0.00  -0.000003857  -0.000004991  -0.000003223
 H     -2.651536     -0.267332      0.301405    0.00   0.000003931   0.000003467  -0.000020424
 H     -1.047094      0.937072      2.165652    0.00   0.000010766   0.000000420   0.000003730
 H      0.693276      0.777832      1.910754    0.00   0.000008471  -0.000011909   0.000012284
 H     -0.761605      0.751233     -1.937099    0.00  -0.000015849  -0.000028485  -0.000018930
 O     -0.811322     -1.469086      1.547985    0.00  -0.000997549   0.001343099  -0.000376108
 C     -1.938538     -1.664540     -1.174099    0.00  -0.000162384  -0.000220376  -0.000171201
 H     -1.921879     -2.544037     -0.514443    0.00  -0.000041722  -0.000095258  -0.000097953
 H     -2.904937     -1.664297     -1.691597    0.00  -0.000060366  -0.000045397   0.000090720
 H     -1.159743     -1.787946     -1.934143    0.00   0.000065220   0.000053001  -0.000027883
 H     -0.073962     -2.140496      1.589045    0.00   0.000428683  -0.000248520   0.000093829
 O      0.796522     -0.660811      0.096660    0.00  -0.000371238  -0.000289480   0.000293483
 O      0.935562     -1.523703     -1.017819    0.00   0.000589461   0.000869716   0.000591703
 C      1.102782     -2.850177     -0.674849    0.00   0.000453544   0.001009367   0.000776436
 H      1.423516     -3.351462     -1.596783    0.00   0.000138968   0.000250709   0.000242750
 O      0.889699     -3.316981      0.416176    0.00   0.000316230  -0.001927081  -0.000894008
26
 Energy =      -0.205371290882
 C     -0.275639      2.087131      0.461930    0.00  -0.000106776  -0.000124822   0.000036376
 C     -1.518819      2.133892     -0.435369    0.00  -0.000091079  -0.000116280  -0.000167494
 C     -1.638108      0.853303     -1.270776    0.00  -0.000102834  -0.000156865  -0.000269736
 C     -1.750916     -0.383566     -0.364742    0.00   0.000020157  -0.000055002  -0.000156770
 C     -0.548217     -0.448223      0.595673    0.00   0.000002698  -0.000049487   0.000074303
 C     -0.274063      0.859734      1.375023    0.00  -0.000044760  -0.000064281   0.000163523
 H     -2.520320      0.911305     -1.934828    0.00  -0.000011851  -0.000012739  -0.000038621
 H     -2.427762      2.272749      0.181132    0.00  -0.000005693   0.000001172  -0.000017634
 H     -1.467148      3.014922     -1.102672    0.00  -0.000009370  -0.000018786  -0.000017054
 H      0.637306      2.075536     -0.168688    0.00  -0.000017467  -0.000017789   0.000008019
 H     -0.214347      3.006068      1.075479    0.00  -0.000007442  -0.000008422   0.000002018
 H     -2.651061     -0.266525      0.299871    0.00   0.000007661   0.000004299  -0.000018663
 H     -1.047963      0.937561      2.165994    0.00   0.000007049   0.000006207   0.000008432
 H      0.692788      0.778078      1.912552    0.00   0.000002710  -0.000008186   0.000020869
 H     -0.758211      0.751113     -1.936722    0.00  -0.000015100  -0.000027744  -0.000017002
 O     -0.814218     -1.474555      1.541686    0.00  -0.000877933   0.001107549  -0.000384232
 C     -1.936468     -1.664628     -1.174048    0.00  -0.000092863  -0.000134442  -0.000133205
 H     -1.909864     -2.544091     -0.514464    0.00  -0.000029677  -0.000074898  -0.000088888
 H     -2.906822     -1.669624     -1.683975    0.00  -0.000048960  -0.000041231   0.000081041
 H     -1.162865     -1.783436     -1.940075    0.00   0.000063426   0.000053991  -0.000018028
 H     -0.058911     -2.123068      1.609018    0.00   0.000329884  -0.000159195   0.000081390
 O      0.797219     -0.662230      0.098322    0.00  -0.000203363  -0.000113387   0.000130087
 O      0.928752     -1.523081     -1.018592    0.00   0.000479136   0.000880617   0.000568533
 C      1.093477     -2.850195     -0.675859    0.00   0.000353345   0.000751362   0.000747777
 H      1.394483     -3.355336     -1.602170    0.00   0.000116587   0.000192435   0.000226970
 O      0.899291     -3.311399      0.420852    0.00   0.000282517  -0.001814078  -0.000822012
26
 Energy =      -0.205509718708
 C     -0.274663      2.086393      0.463099    0.00  -0.000124155  -0.000148335   0.000070426
 C     -1.516761      2.133906     -0.435744    0.00  -0.000085711  -0.000148450  -0.000170766
 C     -1.635388      0.853584     -1.271608    0.00  -0.000077876  -0.000159001  -0.000250188
 C     -1.750074     -0.382889     -0.365441    0.00   0.000043439  -0.000018210  -0.000125990
 C     -0.548162     -0.448164      0.596053    0.00  -0.000004457  -0.000002574   0.000062623
 C     -0.274585      0.858954      1.376545    0.00  -0.000065351  -0.000028145   0.000196968
 H     -2.516541      0.911836     -1.937021    0.00  -0.000007023  -0.000014151  -0.000037406
 H     -2.426433      2.272900      0.179648    0.00  -0.000002299  -0.000001378  -0.000019606
 H     -1.463943      3.015128     -1.102698    0.00  -0.000010897  -0.000023783  -0.000019491
 H      0.638972      2.074093     -0.166527    0.00  -0.000018751  -0.000021825   0.000011513
 H     -0.213518      3.005380      1.076551    0.00  -0.000010035  -0.000011247   0.000006996
 H     -2.650827     -0.265323      0.298184    0.00   0.000010922   0.000005214  -0.000016455
 H     -1.049527      0.937491      2.166306    0.00   0.000003705   0.000011496   0.000011867
 H      0.691664      0.777530      1.915014    0.00  -0.000002146  -0.000004449   0.000027850
 H     -0.754477      0.750962     -1.936175    0.00  -0.000014417  -0.000026796  -0.000014687
 O     -0.816546     -1.480019      1.535374    0.00  -0.000748361   0.000891011  -0.000364215
 C     -1.935052     -1.664465     -1.174233    0.00  -0.000022086  -0.000048745  -0.000096491
 H     -1.898674     -2.543969     -0.515012    0.00  -0.000017878  -0.000053293  -0.000075784
 H     -2.909332     -1.674443     -1.676453    0.00  -0.000035447  -0.000034338   0.000068062
 H     -1.166820     -1.778760     -1.946313    0.00   0.000058573   0.000052048  -0.000009204
 H     -0.047086     -2.108291      1.625845    0.00   0.000242455  -0.000099639   0.000063936
 O      0.797435     -0.663029      0.098766    0.00  -0.000067192   0.000047100  -0.000000491
 O      0.921244     -1.523010     -1.019675    0.00   0.000365389   0.000873392   0.000533439
 C      1.084813     -2.850262     -0.675998    0.00   0.000249932   0.000510903   0.000694394
 H      1.366803     -3.359634     -1.605812    0.00   0.000091701   0.000139469   0.000204556
 O      0.909690     -3.305523      0.426219    0.00   0.000247965  -0.001686275  -0.000751855
26
 Energy =       -0.20562934075
 C     -0.273513      2.085410      0.464822    0.00  -0.000132101  -0.000165449   0.000094481
 C     -1.514198      2.134083     -0.436000    0.00  -0.000076645  -0.000173036  -0.000170833
 C     -1.632475      0.854089     -1.272396    0.00  -0.000053487  -0.000158639  -0.000226652
 C     -1.749636     -0.382073     -0.366240    0.00   0.000066915   0.000013912  -0.000093052
 C     -0.548398     -0.448310      0.596175    0.00  -0.000008757   0.000039415   0.000053573
 C     -0.275501      0.857722      1.378270    0.00  -0.000080952   0.000002118   0.000213191
 H     -2.512410      0.912983     -1.939331    0.00  -0.000002749  -0.000015290  -0.000035674
 H     -2.424742      2.273584      0.177978    0.00   0.000000806  -0.000003724  -0.000021087
 H     -1.459656      3.015468     -1.102597    0.00  -0.000011947  -0.000027388  -0.000021060
 H      0.641040      2.072398     -0.163480    0.00  -0.000018653  -0.000024812   0.000013960
 H     -0.212585      3.004290      1.078418    0.00  -0.000011690  -0.000013288   0.000011120
 H     -2.650933     -0.263682      0.296388    0.00   0.000013850   0.000005893  -0.000013931
 H     -1.051805      0.936808      2.166534    0.00   0.000000821   0.000015272   0.000013646
 H      0.689874      0.776109      1.918101    0.00  -0.000006053  -0.000000894   0.000032047
 H     -0.750445      0.750752     -1.935406    0.00  -0.000013642  -0.000025581  -0.000012025
 O     -0.818309     -1.485352      1.529227    0.00  -0.000631530   0.000714080  -0.000332464
 C     -1.934524     -1.663971     -1.174707    0.00   0.000046747   0.000027444  -0.000059967
 H     -1.889209     -2.543599     -0.516103    0.00  -0.000007764  -0.000032911  -0.000059157
 H     -2.912447     -1.678276     -1.669598    0.00  -0.000020587  -0.000024615   0.000053802
 H     -1.171476     -1.774169     -1.952500    0.00   0.000051253   0.000047395  -0.000002865
 H     -0.037727     -2.096036      1.639625    0.00   0.000173727  -0.000063617   0.000046359
 O      0.797055     -0.663240      0.097882    0.00   0.000031702   0.000180338  -0.000093374
 O      0.913185     -1.523612     -1.021101    0.00   0.000256335   0.000845828   0.000492176
 C      1.077225     -2.850444     -0.675233    0.00   0.000154360   0.000301713   0.000622215
 H      1.341572     -3.364394     -1.607553    0.00   0.000066145   0.000095611   0.000177097
 O      0.920827     -3.299425      0.432221    0.00   0.000213897  -0.001559777  -0.000681526
26
 Energy =      -0.205734494029
 C     -0.272204      2.084243      0.467049    0.00  -0.000133314  -0.000174677   0.000107679
 C     -1.511182      2.134465     -0.436120    0.00  -0.000064157  -0.000189198  -0.000167049
 C     -1.629474      0.854846     -1.273087    0.00  -0.000029089  -0.000154534  -0.000200630
 C     -1.749706     -0.381094     -0.367088    0.00   0.000090169   0.000039260  -0.000061615
 C     -0.548980     -0.448667      0.596004    0.00  -0.000011188   0.000074203   0.000046337
 C     -0.276740      0.856064      1.380091    0.00  -0.000093197   0.000024424   0.000213052
 H     -2.508053      0.914784     -1.941683    0.00   0.000000953  -0.000016007  -0.000033354
 H     -2.422712      2.274867      0.176186    0.00   0.000003475  -0.000005844  -0.000021903
 H     -1.454370      3.015968     -1.102377    0.00  -0.000012385  -0.000029590  -0.000021627
 H      0.643466      2.070585     -0.159632    0.00  -0.000017661  -0.000026368   0.000015248
 H     -0.211581      3.002838      1.081069    0.00  -0.000012701  -0.000014543   0.000013974
 H     -2.651452     -0.261565      0.294578    0.00   0.000016410   0.000006090  -0.000011376
 H     -1.054646      0.935531      2.166655    0.00  -0.000001628   0.000017082   0.000013925
 H      0.687539      0.773832      1.921608    0.00  -0.000009160   0.000002191   0.000033179
 H     -0.746247      0.750484     -1.934390    0.00  -0.000012523  -0.000023912  -0.000009273
 O     -0.819576     -1.490487      1.523332    0.00  -0.000537525   0.000586407  -0.000300285
 C     -1.935061     -1.663079     -1.175460    0.00   0.000109384   0.000088380  -0.000024062
 H     -1.882318     -2.542914     -0.517633    0.00   0.000000061  -0.000015644  -0.000040886
 H     -2.916092     -1.680688     -1.663957    0.00  -0.000005775  -0.000013316   0.000040354
 H     -1.176596     -1.769934     -1.958193    0.00   0.000042657   0.000041164   0.000000636
 H     -0.030144     -2.085943      1.650691    0.00   0.000124479  -0.000042978   0.000031871
 O      0.796035     -0.662970      0.095722    0.00   0.000094957   0.000279252  -0.000151255
 O      0.904842     -1.524942     -1.022836    0.00   0.000158909   0.000800252   0.000450112
 C      1.071090     -2.850796     -0.673602    0.00   0.000075369   0.000133123   0.000540774
 H      1.319748     -3.369582     -1.607413    0.00   0.000042582   0.000062496   0.000148052
 O      0.932545     -3.293217      0.438744    0.00   0.000180900  -0.001447713  -0.000611878
26
 Energy =      -0.205829182935
 C     -0.270765      2.082955      0.469649    0.00  -0.000131198  -0.000176755   0.000111400
 C     -1.507842      2.135076     -0.436095    0.00  -0.000049930  -0.000197900  -0.000159239
 C     -1.626533      0.855872     -1.273649    0.00  -0.000004852  -0.000146487  -0.000174132
 C     -1.750323     -0.379924     -0.367932    0.00   0.000111436   0.000057533  -0.000035019
 C     -0.549908     -0.449222      0.595532    0.00  -0.000012507   0.000101013   0.000039941
 C     -0.278165      0.854048      1.381888    0.00  -0.000103305   0.000038729   0.000200852
 H     -2.503669      0.917217     -1.943971    0.00   0.000004190  -0.000016204  -0.000030477
 H     -2.420405      2.276737      0.174376    0.00   0.000005568  -0.000007739  -0.000021925
 H     -1.448321      3.016649     -1.102034    0.00  -0.000012189  -0.000030610  -0.000021218
 H      0.646150      2.068763     -0.155218    0.00  -0.000016372  -0.000026508   0.000015458
 H     -0.210507      3.001086      1.084374    0.00  -0.000013372  -0.000015184   0.000015451
 H     -2.652383     -0.258972      0.292867    0.00   0.000018459   0.000005789  -0.000009064
 H     -1.057770      0.933750      2.166684    0.00  -0.000003667   0.000017141   0.000013226
 H      0.684899      0.770805      1.925239    0.00  -0.000011646   0.000004555   0.000031855
 H     -0.742090      0.750191     -1.933166    0.00  -0.000010942  -0.000021725  -0.000006771
 O     -0.820487     -1.495412      1.517679    0.00  -0.000466291   0.000504817  -0.000273009
 C     -1.936720     -1.661765     -1.176425    0.00   0.000161899   0.000133170   0.000008978
 H     -1.878496     -2.541876     -0.519405    0.00   0.000006140  -0.000002156  -0.000023761
 H     -2.920169     -1.681433     -1.659858    0.00   0.000007260  -0.000002802   0.000028974
 H     -1.181920     -1.766270     -1.963028    0.00   0.000034306   0.000034780   0.000002396
 H     -0.023845     -2.077570      1.659522    0.00   0.000091501  -0.000030911   0.000021602
 O      0.794427     -0.662371      0.092494    0.00   0.000129377   0.000344113  -0.000181759
 O      0.896527     -1.526964     -1.024780    0.00   0.000077151   0.000743371   0.000411029
 C      1.066585     -2.851338     -0.671217    0.00   0.000015668   0.000006422   0.000460844
 H      1.301788     -3.375108     -1.605604    0.00   0.000023331   0.000039026   0.000121392
 O      0.944647     -3.287018      0.445631    0.00   0.000149985  -0.001355477  -0.000547024
26
 Energy =      -0.205916520004
 C     -0.269222      2.081597      0.472464    0.00  -0.000128265  -0.000173761   0.000108202
 C     -1.504327      2.135914     -0.435913    0.00  -0.000035762  -0.000201099  -0.000148034
 C     -1.623795      0.857161     -1.274067    0.00   0.000018484  -0.000135554  -0.000148744
 C     -1.751448     -0.378556     -0.368741    0.00   0.000129056   0.000069870  -0.000014636
 C     -0.551134     -0.449938      0.594778    0.00  -0.000013126   0.000120490   0.000033920
 C     -0.279624      0.851758      1.383563    0.00  -0.000111680   0.000046555   0.000181960
 H     -2.499478      0.920210     -1.946087    0.00   0.000007058  -0.000015915  -0.000027230
 H     -2.417903      2.279111      0.172681    0.00   0.000007053  -0.000009420  -0.000021152
 H     -1.441812      3.017522     -1.101544    0.00  -0.000011439  -0.000030762  -0.000020063
 H      0.648974      2.066981     -0.150527    0.00  -0.000015205  -0.000025559   0.000014827
 H     -0.209325      2.999106      1.088129    0.00  -0.000013906  -0.000015461   0.000015718
 H     -2.653669     -0.255948      0.291341    0.00   0.000019882   0.000005163  -0.000007131
 H     -1.060881      0.931591      2.166653    0.00  -0.000005303   0.000016046   0.000012072
 H      0.682214      0.767186      1.928713    0.00  -0.000013636   0.000006145   0.000029064
 H     -0.738185      0.749939     -1.931824    0.00  -0.000008968  -0.000019160  -0.000004733
 O     -0.821212     -1.500152      1.512190    0.00  -0.000412894   0.000457741  -0.000251474
 C     -1.939418     -1.660053     -1.177517    0.00   0.000202344   0.000164204   0.000036359
 H     -1.877742     -2.540483     -0.521231    0.00   0.000011331   0.000007900  -0.000009998
 H     -2.924574     -1.680527     -1.657334    0.00   0.000017331   0.000005044   0.000019904
 H     -1.187258     -1.763256     -1.966847    0.00   0.000027379   0.000029238   0.000003821
 H     -0.018534     -2.070499      1.666624    0.00   0.000070278  -0.000023151   0.000015125
 O      0.792354     -0.661593      0.088493    0.00   0.000143608   0.000381178  -0.000193792
 O      0.888494     -1.529575     -1.026813    0.00   0.000011767   0.000683119   0.000376976
 C      1.063653     -2.852063     -0.668231    0.00  -0.000027244  -0.000084133   0.000390755
 H      1.287561     -3.380856     -1.602456    0.00   0.000009201   0.000022713   0.000099649
 O      0.956956     -3.280918      0.452737    0.00   0.000122657  -0.001281430  -0.000491363
26
 Energy =      -0.205998619573
 C     -0.267593      2.080194      0.475347    0.00  -0.000125670  -0.000167856   0.000100730
 C     -1.500768      2.136949     -0.435564    0.00  -0.000022817  -0.000200785  -0.000134560
 C     -1.621360      0.858701     -1.274348    0.00   0.000040112  -0.000123262  -0.000125335
 C     -1.753000     -0.376999     -0.369507    0.00   0.000142279   0.000077767  -0.000000098
 C     -0.552590     -0.450776      0.593774    0.00  -0.000013227   0.000133982   0.000028269
 C     -0.281001      0.849273      1.385057    0.00  -0.000118373   0.000049947   0.000160746
 H     -2.495653      0.923671     -1.947952    0.00   0.000009614  -0.000015270  -0.000023831
 H     -2.415272      2.281868      0.171221    0.00   0.000008009  -0.000010899  -0.000019752
 H     -1.435126      3.018585     -1.100873    0.00  -0.000010290  -0.000030348  -0.000018435
 H      0.651842      2.065236     -0.145820    0.00  -0.000014335  -0.000023925   0.000013650
 H     -0.207981      2.996962      1.092129    0.00  -0.000014377  -0.000015573   0.000015106
 H     -2.655222     -0.252581      0.290036    0.00   0.000020660   0.000004432  -0.000005579
 H     -1.063766      0.929174      2.166597    0.00  -0.000006571   0.000014393   0.000010777
 H      0.679678      0.763133      1.931850    0.00  -0.000015188   0.000007105   0.000025699
 H     -0.734697      0.749796     -1.930462    0.00  -0.000006778  -0.000016452  -0.000003201
 O     -0.821897     -1.504737      1.506780    0.00  -0.000371769   0.000432122  -0.000234457
 C     -1.942982     -1.657992     -1.178679    0.00   0.000231170   0.000184733   0.000056254
 H     -1.879675     -2.538766     -0.523004    0.00   0.000015974   0.000015214  -0.000000275
 H     -2.929215     -1.678175     -1.656206    0.00   0.000024286   0.000009854   0.000012845
 H     -1.192504     -1.760849     -1.969696    0.00   0.000022278   0.000024856   0.000005489
 H     -0.014046     -2.064391      1.672447    0.00   0.000056715  -0.000017554   0.000011393
 O      0.789953     -0.660758      0.083998    0.00   0.000145332   0.000398764  -0.000194875
 O      0.880883     -1.532655     -1.028830    0.00  -0.000038974   0.000625569   0.000348680
 C      1.062083     -2.852943     -0.664789    0.00  -0.000057638  -0.000147035   0.000334102
 H      1.276545     -3.386732     -1.598301    0.00  -0.000000447   0.000011256   0.000083255
 O      0.969356     -3.274960      0.459954    0.00   0.000100026  -0.001221035  -0.000446595
26
 Energy =      -0.206076796266
 C     -0.265886      2.078761      0.478202    0.00  -0.000123658  -0.000160619   0.000091145
 C     -1.497255      2.138150     -0.435040    0.00  -0.000011538  -0.000198446  -0.000119944
 C     -1.619280      0.860467     -1.274505    0.00   0.000059487  -0.000110885  -0.000104165
 C     -1.754880     -0.375277     -0.370235    0.00   0.000151270   0.000082589   0.000009726
 C     -0.554213     -0.451698      0.592558    0.00  -0.000012989   0.000142839   0.000023043
 C     -0.282228      0.846656      1.386353    0.00  -0.000123371   0.000050622   0.000139896
 H     -2.492300      0.927521     -1.949516    0.00   0.000011858  -0.000014443  -0.000020480
 H     -2.412565      2.284886      0.170086    0.00   0.000008550  -0.000012187  -0.000017946
 H     -1.428472      3.019828     -1.099993    0.00  -0.000008919  -0.000029602  -0.000016582
 H      0.654691      2.063494     -0.141281    0.00  -0.000013747  -0.000021948   0.000012207
 H     -0.206416      2.994699      1.096215    0.00  -0.000014803  -0.000015619   0.000013947
 H     -2.656961     -0.248972      0.288951    0.00   0.000020870   0.000003751  -0.000004338
 H     -1.066309      0.926600      2.166536    0.00  -0.000007518   0.000012592   0.000009491
 H      0.677403      0.758773      1.934571    0.00  -0.000016351   0.000007639   0.000022313
 H     -0.731715      0.749816     -1.929158    0.00  -0.000004534  -0.000013796  -0.000002082
 O     -0.822638     -1.509191      1.501391    0.00  -0.000338617   0.000417731  -0.000220420
 C     -1.947211     -1.655643     -1.179891    0.00   0.000250274   0.000197551   0.000068375
 H     -1.883752     -2.536772     -0.524703    0.00   0.000019950   0.000020424   0.000005907
 H     -2.934003     -1.674651     -1.656222    0.00   0.000028674   0.000012314   0.000007375
 H     -1.197617     -1.758925     -1.971741    0.00   0.000018809   0.000021534   0.000007212
 H     -0.010278     -2.058999      1.677338    0.00   0.000047815  -0.000013181   0.000009368
 O      0.787340     -0.659946      0.079216    0.00   0.000140067   0.000404186  -0.000190201
 O      0.873730     -1.536100     -1.030769    0.00  -0.000077880   0.000573975   0.000325973
 C      1.061616     -2.853954     -0.661006    0.00  -0.000079230  -0.000190130   0.000290523
 H      1.268106     -3.392680     -1.593407    0.00  -0.000006814   0.000003055   0.000071349
 O      0.981781     -3.269149      0.467214    0.00   0.000082343  -0.001169945  -0.000411691
26
 Energy =      -0.206151832596
 C     -0.264106      2.077301      0.480967    0.00  -0.000122023  -0.000152989   0.000080910
 C     -1.493842      2.139484     -0.434338    0.00  -0.000001943  -0.000195000  -0.000105030
 C     -1.617569      0.862437     -1.274549    0.00   0.000076408  -0.000099204  -0.000085232
 C     -1.757007     -0.373420     -0.370938    0.00   0.000156639   0.000085297   0.000016044
 C     -0.555953     -0.452676      0.591167    0.00  -0.000012541   0.000148216   0.000018291
 C     -0.283277      0.843953      1.387455    0.00  -0.000126817   0.000049782   0.000120672
 H     -2.489462      0.931689     -1.950756    0.00   0.000013789  -0.000013564  -0.000017295
 H     -2.409814      2.288072      0.169328    0.00   0.000008786  -0.000013292  -0.000015949
 H     -1.421987      3.021237     -1.098886    0.00  -0.000007470  -0.000028677  -0.000014651
 H      0.657482      2.061721     -0.137016    0.00  -0.000013356  -0.000019859   0.000010699
 H     -0.204597      2.992353      1.100279    0.00  -0.000015169  -0.000015627   0.000012518
 H     -2.658824     -0.245224      0.288063    0.00   0.000020629   0.000003196  -0.000003333
 H     -1.068473      0.923936      2.166481    0.00  -0.000008210   0.000010858   0.000008272
 H      0.675427      0.754199      1.936865    0.00  -0.000017178   0.000007914   0.000019182
 H     -0.729273      0.750037     -1.927962    0.00  -0.000002354  -0.000011325  -0.000001262
 O     -0.823484     -1.513528      1.495996    0.00  -0.000310652   0.000408098  -0.000208248
 C     -1.951914     -1.653053     -1.181156    0.00   0.000261891   0.000204794   0.000073601
 H     -1.889436     -2.534552     -0.526367    0.00   0.000023084   0.000024038   0.000009442
 H     -2.938866     -1.670221     -1.657143    0.00   0.000031219   0.000013305   0.000003115
 H     -1.202584     -1.757338     -1.973180    0.00   0.000016565   0.000019027   0.000008631
 H     -0.007151     -2.054149      1.681544    0.00   0.000041674  -0.000009628   0.000008314
 O      0.784595     -0.659206      0.074283    0.00   0.000131272   0.000402615  -0.000182936
 O      0.867005     -1.539835     -1.032596    0.00  -0.000107782   0.000529287   0.000308140
 C      1.062009     -2.855074     -0.656967    0.00  -0.000094661  -0.000219399   0.000257792
 H      1.261657     -3.398673     -1.587967    0.00  -0.000010985  -0.000002915   0.000062764
 O      0.994196     -3.263469      0.474483    0.00   0.000069185  -0.001124948  -0.000384456
26
 Energy =       -0.20622418767
 C     -0.262256      2.075819      0.483617    0.00  -0.000120470  -0.000145438   0.000070926
 C     -1.490559      2.140926     -0.433458    0.00   0.000006155  -0.000190942  -0.000090358
 C     -1.616217      0.864589     -1.274488    0.00   0.000090909  -0.000088589  -0.000068392
 C     -1.759312     -0.371458     -0.371630    0.00   0.000159127   0.000086544   0.000019849
 C     -0.557769     -0.453690      0.589632    0.00  -0.000011981   0.000151005   0.000013980
 C     -0.284143      0.841193      1.388374    0.00  -0.000128925   0.000048150   0.000103466
 H     -2.487143      0.936122     -1.951669    0.00   0.000015413  -0.000012715  -0.000014344
 H     -2.407041      2.291354      0.168973    0.00   0.000008802  -0.000014224  -0.000013910
 H     -1.415752      3.022795     -1.097539    0.00  -0.000006037  -0.000027670  -0.000012729
 H      0.660197      2.059895     -0.133076    0.00  -0.000013066  -0.000017797   0.000009250
 H     -0.202506      2.989946      1.104263    0.00  -0.000015466  -0.000015596   0.000011011
 H     -2.660766     -0.241420      0.287339    0.00   0.000020058   0.000002785  -0.000002505
 H     -1.070264      0.921228      2.166433    0.00  -0.000008707   0.000009275   0.000007146
 H      0.673755      0.749473      1.938755    0.00  -0.000017730   0.000008037   0.000016389
 H     -0.727366      0.750477     -1.926895    0.00  -0.000000303  -0.000009098  -0.000000643
 O     -0.824450     -1.517755      1.490589    0.00  -0.000286234   0.000399749  -0.000197297
 C     -1.956935     -1.650265     -1.182497    0.00   0.000267982   0.000208035   0.000073343
 H     -1.896272     -2.532152     -0.528056    0.00   0.000025336   0.000026460   0.000011154
 H     -2.943741     -1.665107     -1.658780    0.00   0.000032520   0.000013484  -0.000000233
 H     -1.207398     -1.755953     -1.974200    0.00   0.000015159   0.000017103   0.000009545
 H     -0.004596     -2.049724      1.685234    0.00   0.000037173  -0.000006693   0.000007770
 O      0.781770     -0.658561      0.069274    0.00   0.000120913   0.000397252  -0.000174827
 O      0.860654     -1.543811     -1.034302    0.00  -0.000131027   0.000491127   0.000294235
 C      1.063063     -2.856288     -0.652726    0.00  -0.000105708  -0.000239045   0.000233363
 H      1.256733     -3.404706     -1.582109    0.00  -0.000013728  -0.000007322   0.000056506
 O      1.006587     -3.257893      0.481744    0.00   0.000059837  -0.001083877  -0.000362696
26
 Energy =      -0.206294132705
 C     -0.260344      2.074317      0.486141    0.00  -0.000118756  -0.000138168   0.000061677
 C     -1.487419      2.142453     -0.432398    0.00   0.000012992  -0.000186523  -0.000076232
 C     -1.615204      0.866904     -1.274329    0.00   0.000103160  -0.000079142  -0.000053467
 C     -1.761746     -0.369417     -0.372318    0.00   0.000159414   0.000086770   0.000021868
 C     -0.559637     -0.454726      0.587977    0.00  -0.000011405   0.000151883   0.000010048
 C     -0.284832      0.838399      1.389128    0.00  -0.000129940   0.000046122   0.000088223
 H     -2.485326      0.940781     -1.952260    0.00   0.000016746  -0.000011934  -0.000011657
 H     -2.404262      2.294680      0.169026    0.00   0.000008661  -0.000014986  -0.000011915
 H     -1.409809      3.024491     -1.095952    0.00  -0.000004674  -0.000026631  -0.000010867
 H      0.662830      2.058003     -0.129477    0.00  -0.000012800  -0.000015839   0.000007923
 H     -0.200143      2.987494      1.108136    0.00  -0.000015687  -0.000015511   0.000009546
 H     -2.662757     -0.237630      0.286749    0.00   0.000019261   0.000002496  -0.000001813
 H     -1.071702      0.918504      2.166393    0.00  -0.000009064   0.000007867   0.000006122
 H      0.672373      0.744640      1.940274    0.00  -0.000018062   0.000008067   0.000013930
 H     -0.725970      0.751146     -1.925964    0.00   0.000001588  -0.000007135  -0.000000157
 O     -0.825535     -1.521872      1.485175    0.00  -0.000264410   0.000391088  -0.000187238
 C     -1.962151     -1.647309     -1.183937    0.00   0.000270072   0.000208410   0.000069093
 H     -1.903904     -2.529610     -0.529833    0.00   0.000026793   0.000027999   0.000011665
 H     -2.948579     -1.659475     -1.660993    0.00   0.000033002   0.000013248  -0.000002895
 H     -1.212061     -1.754660     -1.974952    0.00   0.000014300   0.000015589   0.000009927
 H     -0.002550     -2.045645      1.688520    0.00   0.000033680  -0.000004249   0.000007476
 O      0.778899     -0.658024      0.064233    0.00   0.000110077   0.000389917  -0.000166790
 O      0.854613     -1.547996     -1.035884    0.00  -0.000149369   0.000458500   0.000283310
 C      1.064626     -2.857586     -0.648323    0.00  -0.000113574  -0.000251897   0.000215065
 H      1.252978     -3.410783     -1.575917    0.00  -0.000015542  -0.000010618   0.000051854
 O      1.018943     -3.252397      0.488994    0.00   0.000053537  -0.001045321  -0.000344695
26
 Energy =      -0.206361831396
 C     -0.258377      2.072800      0.488540    0.00  -0.000116715  -0.000131239   0.000053381
 C     -1.484431      2.144052     -0.431164    0.00   0.000018783  -0.000181850  -0.000062800
 C     -1.614507      0.869367     -1.274076    0.00   0.000113371  -0.000070831  -0.000040284
 C     -1.764269     -0.367317     -0.373013    0.00   0.000158077   0.000086260   0.000022637
 C     -0.561537     -0.455773      0.586222    0.00  -0.000010844   0.000151326   0.000006406
 C     -0.285354      0.835580      1.389732    0.00  -0.000130090   0.000043919   0.000074732
 H     -2.483981      0.945633     -1.952545    0.00   0.000017813  -0.000011237  -0.000009241
 H     -2.401490      2.298014      0.169483    0.00   0.000008409  -0.000015589  -0.000010015
 H     -1.404181      3.026310     -1.094125    0.00  -0.000003402  -0.000025585  -0.000009085
 H      0.665373      2.056046     -0.126215    0.00  -0.000012509  -0.000014021   0.000006739
 H     -0.197521      2.985006      1.111887    0.00  -0.000015827  -0.000015367   0.000008191
 H     -2.664776     -0.233901      0.286266    0.00   0.000018320   0.000002307  -0.000001232
 H     -1.072815      0.915776      2.166361    0.00  -0.000009322   0.000006618   0.000005196
 H      0.671260      0.739728      1.941458    0.00  -0.000018223   0.000008039   0.000011761
 H     -0.725051      0.752048     -1.925167    0.00   0.000003308  -0.000005431   0.000000236
 O     -0.826727     -1.525881      1.479765    0.00  -0.000244652   0.000381566  -0.000177924
 C     -1.967470     -1.644208     -1.185493    0.00   0.000269277   0.000206733   0.000062160
 H     -1.912066     -2.526958     -0.531747    0.00   0.000027590   0.000028886   0.000011405
 H     -2.953344     -1.653454     -1.663676    0.00   0.000032946   0.000012810  -0.000005027
 H     -1.216571     -1.753371     -1.975554    0.00   0.000013787   0.000014362   0.000009849
 H     -0.000953     -2.041855      1.691482    0.00   0.000030843  -0.000002211   0.000007291
 O      0.776001     -0.657600      0.059177    0.00   0.000099306   0.000381568  -0.000159224
 O      0.848828     -1.552372     -1.037351    0.00  -0.000164060   0.000430329   0.000274539
 C      1.066579     -2.858963     -0.643783    0.00  -0.000119060  -0.000259896   0.000201199
 H      1.250125     -3.416914     -1.569447    0.00  -0.000016729  -0.000013110   0.000048313
 O      1.031258     -3.246956      0.496230    0.00   0.000049605  -0.001008356  -0.000329202
26
 Energy =      -0.206427385606
 C     -0.256363      2.071274      0.490822    0.00  -0.000114273  -0.000124640   0.000046092
 C     -1.481595      2.145708     -0.429758    0.00   0.000023709  -0.000176976  -0.000050134
 C     -1.614098      0.871964     -1.273735    0.00   0.000121770  -0.000063557  -0.000028667
 C     -1.766852     -0.365174     -0.373720    0.00   0.000155542   0.000085204   0.000022520
 C     -0.563451     -0.456826      0.584378    0.00  -0.000010334   0.000149699   0.000003003
 C     -0.285719      0.832749      1.390201    0.00  -0.000129569   0.000041649   0.000062741
 H     -2.483077      0.950654     -1.952539    0.00   0.000018639  -0.000010620  -0.000007085
 H     -2.398736      2.301329      0.170332    0.00   0.000008077  -0.000016041  -0.000008230
 H     -1.398877      3.028244     -1.092062    0.00  -0.000002231  -0.000024550  -0.000007396
 H      0.667822      2.054031     -0.123276    0.00  -0.000012163  -0.000012353   0.000005700
 H     -0.194661      2.982493      1.115519    0.00  -0.000015887  -0.000015160   0.000006977
 H     -2.666808     -0.230268      0.285869    0.00   0.000017295   0.000002187  -0.000000745
 H     -1.073630      0.913052      2.166337    0.00  -0.000009515   0.000005508   0.000004363
 H      0.670397      0.734760      1.942336    0.00  -0.000018251   0.000007971   0.000009835
 H     -0.724571      0.753182     -1.924496    0.00   0.000004858  -0.000003966   0.000000564
 O     -0.828012     -1.529780      1.474367    0.00  -0.000226621   0.000371106  -0.000169290
 C     -1.972826     -1.640982     -1.187182    0.00   0.000266402   0.000203579   0.000053591
 H     -1.920561     -2.524219     -0.533838    0.00   0.000027875   0.000029292   0.000010668
 H     -2.958009     -1.647136     -1.666751    0.00   0.000032536   0.000012280  -0.000006742
 H     -1.220929     -1.752028     -1.976094    0.00   0.000013487   0.000013342   0.000009423
 H      0.000245     -2.038310      1.694171    0.00   0.000028461  -0.000000500   0.000007148
 O      0.773090     -0.657288      0.054116    0.00   0.000088890   0.000372696  -0.000152300
 O      0.843253     -1.556926     -1.038709    0.00  -0.000175955   0.000405600   0.000267257
 C      1.068836     -2.860411     -0.639122    0.00  -0.000122735  -0.000264347   0.000190535
 H      1.247982     -3.423105     -1.562736    0.00  -0.000017486  -0.000015014   0.000045548
 O      1.043524     -3.241551      0.503453    0.00   0.000047478  -0.000972388  -0.000315377
26
 Energy =      -0.206490860806
 C     -0.254312      2.069741      0.492995    0.00  -0.000111410  -0.000118349   0.000039785
 C     -1.478913      2.147414     -0.428186    0.00   0.000027905  -0.000171927  -0.000038260
 C     -1.613957      0.874683     -1.273309    0.00   0.000128559  -0.000057196  -0.000018460
 C     -1.769472     -0.363003     -0.374442    0.00   0.000152134   0.000083724   0.000021785
 C     -0.565368     -0.457880      0.582458    0.00  -0.000009877   0.000147271  -0.000000209
 C     -0.285939      0.829912      1.390544    0.00  -0.000128523   0.000039373   0.000052021
 H     -2.482578      0.955823     -1.952259    0.00   0.000019254  -0.000010076  -0.000005172
 H     -2.396010      2.304602      0.171558    0.00   0.000007690  -0.000016355  -0.000006571
 H     -1.393901      3.030284     -1.089768    0.00  -0.000001160  -0.000023528  -0.000005802
 H      0.670178      2.051973     -0.120640    0.00  -0.000011754  -0.000010835   0.000004796
 H     -0.191589      2.979961      1.119041    0.00  -0.000015867  -0.000014891   0.000005914
 H     -2.668843     -0.226758      0.285540    0.00   0.000016231   0.000002113  -0.000000339
 H     -1.074165      0.910331      2.166321    0.00  -0.000009663   0.000004516   0.000003612
 H      0.669768      0.729751      1.942932    0.00  -0.000018173   0.000007874   0.000008109
 H     -0.724494      0.754544     -1.923941    0.00   0.000006241  -0.000002719   0.000000843
 O     -0.829373     -1.533572      1.468990    0.00  -0.000210097   0.000359847  -0.000161286
 C     -1.978171     -1.637643     -1.189011    0.00   0.000262012   0.000199354   0.000044180
 H     -1.929244     -2.521412     -0.536135    0.00   0.000027773   0.000029339   0.000009647
 H     -2.962559     -1.640591     -1.670160    0.00   0.000031890   0.000011712  -0.000008121
 H     -1.225138     -1.750585     -1.976637    0.00   0.000013313   0.000012474   0.000008751
 H      0.001091     -2.034977      1.696630    0.00   0.000026409   0.000000935   0.000007009
 O      0.770178     -0.657088      0.049051    0.00   0.000078956   0.000363524  -0.000146033
 O      0.837852     -1.561650     -1.039964    0.00  -0.000185638   0.000383493   0.000260943
 C      1.071330     -2.861931     -0.634353    0.00  -0.000124992  -0.000266166   0.000182184
 H      1.246402     -3.429366     -1.555806    0.00  -0.000017927  -0.000016477   0.000043332
 O      1.055733     -3.236167      0.510666    0.00   0.000046714  -0.000937031  -0.000302659
26
 Energy =      -0.206552300161
 C     -0.252235      2.068206      0.495070    0.00  -0.000108154  -0.000112325   0.000034376
 C     -1.476384      2.149161     -0.426451    0.00   0.000031476  -0.000166719  -0.000027185
 C     -1.614059      0.877517     -1.272802    0.00   0.000133919  -0.000051634  -0.000009508
 C     -1.772114     -0.360811     -0.375185    0.00   0.000148106   0.000081930   0.000020624
 C     -0.567280     -0.458932      0.580467    0.00  -0.000009485   0.000144214  -0.000003252
 C     -0.286019      0.827070      1.390774    0.00  -0.000127067   0.000037122   0.000042384
 H     -2.482453      0.961123     -1.951725    0.00   0.000019679  -0.000009595  -0.000003483
 H     -2.393321      2.307820      0.173147    0.00   0.000007263  -0.000016541  -0.000005036
 H     -1.389256      3.032422     -1.087248    0.00  -0.000000187  -0.000022526  -0.000004305
 H      0.672437      2.049885     -0.118286    0.00  -0.000011281  -0.000009459   0.000004014
 H     -0.188328      2.977414      1.122461    0.00  -0.000015774  -0.000014565   0.000004998
 H     -2.670872     -0.223383      0.285266    0.00   0.000015155   0.000002067  -0.000000004
 H     -1.074438      0.907612      2.166315    0.00  -0.000009781   0.000003624   0.000002935
 H      0.669359      0.724714      1.943263    0.00  -0.000018010   0.000007758   0.000006551
 H     -0.724784      0.756133     -1.923490    0.00   0.000007468  -0.000001665   0.000001082
 O     -0.830798     -1.537260      1.463639    0.00  -0.000194914   0.000347962  -0.000153877
 C     -1.983470     -1.634205     -1.190987    0.00   0.000256509   0.000194345   0.000034479
 H     -1.938012     -2.518550     -0.538651    0.00   0.000027385   0.000029117   0.000008473
 H     -2.966981     -1.633870     -1.673853    0.00   0.000031086   0.000011132  -0.000009221
 H     -1.229202     -1.749014     -1.977229    0.00   0.000013207   0.000011720   0.000007924
 H      0.001625     -2.031830      1.698889    0.00   0.000024615   0.000002145   0.000006864
 O      0.767270     -0.656994      0.043978    0.00   0.000069568   0.000354159  -0.000140378
 O      0.832596     -1.566537     -1.041126    0.00  -0.000193497   0.000363361   0.000255216
 C      1.074012     -2.863517     -0.629484    0.00  -0.000126120  -0.000265994   0.000175513
 H      1.245276     -3.435702     -1.548677    0.00  -0.000018134  -0.000017605   0.000041506
 O      1.067879     -3.230790      0.517870    0.00   0.000046967  -0.000902030  -0.000290690
26
 Energy =      -0.206611732413
 C     -0.250139      2.066676      0.497055    0.00  -0.000104550  -0.000106534   0.000029770
 C     -1.474008      2.150944     -0.424560    0.00   0.000034500  -0.000161383  -0.000016902
 C     -1.614383      0.880456     -1.272218    0.00   0.000138006  -0.000046747  -0.000001680
 C     -1.774766     -0.358606     -0.375949    0.00   0.000143608   0.000079871   0.000019175
 C     -0.569179     -0.459980      0.578413    0.00  -0.000009148   0.000140695  -0.000006135
 C     -0.285968      0.824228      1.390894    0.00  -0.000125270   0.000034912   0.000033687
 H     -2.482671      0.966540     -1.950951    0.00   0.000019939  -0.000009164  -0.000001997
 H     -2.390677      2.310967      0.175080    0.00   0.000006810  -0.000016614  -0.000003628
 H     -1.384936      3.034654     -1.084509    0.00   0.000000692  -0.000021544  -0.000002904
 H      0.674598      2.047787     -0.116196    0.00  -0.000010747  -0.000008215   0.000003339
 H     -0.184907      2.974855      1.125793    0.00  -0.000015615  -0.000014188   0.000004219
 H     -2.672888     -0.220152      0.285037    0.00   0.000014087   0.000002039   0.000000267
 H     -1.074465      0.904890      2.166322    0.00  -0.000009875   0.000002817   0.000002323
 H      0.669162      0.719656      1.943345    0.00  -0.000017778   0.000007627   0.000005131
 H     -0.725410      0.757942     -1.923132    0.00   0.000008546  -0.000000780   0.000001290
 O     -0.832275     -1.540845      1.458315    0.00  -0.000180933   0.000335622  -0.000147007
 C     -1.988698     -1.630676     -1.193111    0.00   0.000250180   0.000188748   0.000024883
 H     -1.946787     -2.515646     -0.541397    0.00   0.000026792   0.000028694   0.000007228
 H     -2.971270     -1.627013     -1.677794    0.00   0.000030172   0.000010556  -0.000010090
 H     -1.233126     -1.747299     -1.977901    0.00   0.000013132   0.000011052   0.000007009
 H      0.001882     -2.028848      1.700970    0.00   0.000023021   0.000003165   0.000006703
 O      0.764373     -0.657004      0.038896    0.00   0.000060740   0.000344640  -0.000135268
 O      0.827465     -1.571581     -1.042197    0.00  -0.000199808   0.000344713   0.000249808
 C      1.076840     -2.865168     -0.624522    0.00  -0.000126308  -0.000264272   0.000170038
 H      1.244521     -3.442118     -1.541362    0.00  -0.000018155  -0.000018473   0.000039964
 O      1.079953     -3.225412      0.525067    0.00   0.000047963  -0.000867237  -0.000279222
26
 Energy =      -0.206669176425
 C     -0.248033      2.065154      0.498961    0.00  -0.000100658  -0.000100954   0.000025863
 C     -1.471784      2.152757     -0.422516    0.00   0.000037035  -0.000155926  -0.000007405
 C     -1.614914      0.883493     -1.271558    0.00   0.000140951  -0.000042443   0.000005150
 C     -1.777415     -0.356392     -0.376735    0.00   0.000138783   0.000077608   0.000017543
 C     -0.571058     -0.461021      0.576298    0.00  -0.000008868   0.000136800  -0.000008862
 C     -0.285789      0.821387      1.390915    0.00  -0.000123193   0.000032757   0.000025817
 H     -2.483204      0.972063     -1.949956    0.00   0.000020052  -0.000008778  -0.000000694
 H     -2.388086      2.314035      0.177345    0.00   0.000006340  -0.000016586  -0.000002341
 H     -1.380938      3.036974     -1.081556    0.00   0.000001478  -0.000020584  -0.000001600
 H      0.676659      2.045690     -0.114349    0.00  -0.000010165  -0.000007093   0.000002760
 H     -0.181347      2.972287      1.129047    0.00  -0.000015397  -0.000013766   0.000003560
 H     -2.674886     -0.217070      0.284845    0.00   0.000013040   0.000002017   0.000000483
 H     -1.074255      0.902161      2.166341    0.00  -0.000009950   0.000002087   0.000001767
 H      0.669167      0.714587      1.943190    0.00  -0.000017486   0.000007485   0.000003837
 H     -0.726344      0.759966     -1.922858    0.00   0.000009483  -0.000000043   0.000001472
 O     -0.833791     -1.544330      1.453022    0.00  -0.000168036   0.000322966  -0.000140621
 C     -1.993840     -1.627067     -1.195382    0.00   0.000243219   0.000182725   0.000015638
 H     -1.955513     -2.512708     -0.544377    0.00   0.000026050   0.000028113   0.000005971
 H     -2.975423     -1.620048     -1.681950    0.00   0.000029185   0.000009985  -0.000010763
 H     -1.236914     -1.745423     -1.978677    0.00   0.000013063   0.000010449   0.000006056
 H      0.001895     -2.026011      1.702894    0.00   0.000021594   0.000004028   0.000006526
 O      0.761491     -0.657114      0.033802    0.00   0.000052478   0.000334982  -0.000130617
 O      0.822445     -1.576778     -1.043183    0.00  -0.000204760   0.000327186   0.000244525
 C      1.079786     -2.866881     -0.619471    0.00  -0.000125694  -0.000261324   0.000165409
 H      1.244073     -3.448615     -1.533867    0.00  -0.000018029  -0.000019135   0.000038627
 O      1.091948     -3.220023      0.532256    0.00   0.000049485  -0.000832557  -0.000268102
26
 Energy =      -0.206724643805
 C     -0.245925      2.063644      0.500793    0.00  -0.000096540  -0.000095561   0.000022555
 C     -1.469710      2.154596     -0.420325    0.00   0.000039119  -0.000150372   0.000001319
 C     -1.615633      0.886623     -1.270829    0.00   0.000142869  -0.000038636   0.000011092
 C     -1.780056     -0.354175     -0.377544    0.00   0.000133714   0.000075182   0.000015803
 C     -0.572912     -0.462054      0.574126    0.00  -0.000008632   0.000132608  -0.000011423
 C     -0.285491      0.818547      1.390838    0.00  -0.000120868   0.000030666   0.000018688
 H     -2.484027      0.977679     -1.948752    0.00   0.000020034  -0.000008428   0.000000446
 H     -2.385553      2.317013      0.179925    0.00   0.000005859  -0.000016468  -0.000001173
 H     -1.377260      3.039377     -1.078393    0.00   0.000002177  -0.000019644  -0.000000391
 H      0.678619      2.043611     -0.112730    0.00  -0.000009547  -0.000006079   0.000002263
 H     -0.177672      2.969715      1.132234    0.00  -0.000015127  -0.000013305   0.000003006
 H     -2.676861     -0.214141      0.284684    0.00   0.000012023   0.000001996   0.000000650
 H     -1.073816      0.899420      2.166375    0.00  -0.000010007   0.000001426   0.000001261
 H      0.669367      0.709510      1.942807    0.00  -0.000017143   0.000007335   0.000002654
 H     -0.727559      0.762202     -1.922657    0.00   0.000010290   0.000000568   0.000001633
 O     -0.835338     -1.547722      1.447758    0.00  -0.000156115   0.000310095  -0.000134658
 C     -1.998883     -1.623383     -1.197796    0.00   0.000235773   0.000176375   0.000006909
 H     -1.964149     -2.509742     -0.547589    0.00   0.000025202   0.000027410   0.000004738
 H     -2.979439     -1.612999     -1.686296    0.00   0.000028147   0.000009423  -0.000011267
 H     -1.240571     -1.743384     -1.979572    0.00   0.000012984   0.000009896   0.000005101
 H      0.001687     -2.023307      1.704674    0.00   0.000020305   0.000004758   0.000006334
 O      0.758627     -0.657318      0.028691    0.00   0.000044769   0.000325187  -0.000126341
 O      0.817522     -1.582122     -1.044088    0.00  -0.000208479   0.000310513   0.000239231
 C      1.082821     -2.868653     -0.614337    0.00  -0.000124396  -0.000257388   0.000161380
 H      1.243879     -3.455196     -1.526200    0.00  -0.000017778  -0.000019631   0.000037438
 O      1.103854     -3.214618      0.539439    0.00   0.000051367  -0.000797926  -0.000257247
26
 Energy =       -0.20677814062
 C     -0.243821      2.062149      0.502561    0.00  -0.000092254  -0.000090338   0.000019751
 C     -1.467784      2.156455     -0.417989    0.00   0.000040788  -0.000144736   0.000009278
 C     -1.616527      0.889838     -1.270029    0.00   0.000143856  -0.000035254   0.000016240
 C     -1.782680     -0.351958     -0.378378    0.00   0.000128467   0.000072623   0.000014013
 C     -0.574735     -0.463080      0.571899    0.00  -0.000008434   0.000128179  -0.000013810
 C     -0.285075      0.815711      1.390671    0.00  -0.000118321   0.000028644   0.000012237
 H     -2.485119      0.983379     -1.947352    0.00   0.000019902  -0.000008106   0.000001441
 H     -2.383083      2.319895      0.182808    0.00   0.000005374  -0.000016272  -0.000000122
 H     -1.373895      3.041859     -1.075027    0.00   0.000002789  -0.000018725   0.000000724
 H      0.680477      2.041563     -0.111320    0.00  -0.000008902  -0.000005164   0.000001838
 H     -0.173902      2.967138      1.135363    0.00  -0.000014812  -0.000012812   0.000002542
 H     -2.678809     -0.211365      0.284549    0.00   0.000011038   0.000001976   0.000000775
 H     -1.073158      0.896663      2.166426    0.00  -0.000010044   0.000000829   0.000000799
 H      0.669755      0.704433      1.942205    0.00  -0.000016755   0.000007180   0.000001574
 H     -0.729034      0.764642     -1.922521    0.00   0.000010973   0.000001070   0.000001777
 O     -0.836906     -1.551019      1.442524    0.00  -0.000145072   0.000297093  -0.000129053
 C     -2.003818     -1.619631     -1.200352    0.00   0.000227938   0.000169773  -0.000001207
 H     -1.972663     -2.506755     -0.551030    0.00   0.000024280   0.000026613   0.000003551
 H     -2.983320     -1.605886     -1.690807    0.00   0.000027073   0.000008870  -0.000011626
 H     -1.244102     -1.741178     -1.980598    0.00   0.000012885   0.000009381   0.000004167
 H      0.001286     -2.020718      1.706324    0.00   0.000019131   0.000005373   0.000006128
 O      0.755787     -0.657614      0.023560    0.00   0.000037596   0.000315243  -0.000122355
 O      0.812689     -1.587609     -1.044917    0.00  -0.000211053   0.000294503   0.000233833
 C      1.085928     -2.870481     -0.609122    0.00  -0.000122497  -0.000252641   0.000157754
 H      1.243900     -3.461859     -1.518367    0.00  -0.000017421  -0.000019990   0.000036356
 O      1.115666     -3.209192      0.546616    0.00   0.000053473  -0.000763313  -0.000246604
26
 Energy =      -0.206829668494
 C     -0.241727      2.060672      0.504269    0.00  -0.000087853  -0.000085270   0.000017370
 C     -1.466003      2.158334     -0.415516    0.00   0.000042067  -0.000139039   0.000016489
 C     -1.617584      0.893134     -1.269165    0.00   0.000143995  -0.000032230   0.000020675
 C     -1.785284     -0.349743     -0.379235    0.00   0.000123087   0.000069955   0.000012216
 C     -0.576525     -0.464096      0.569621    0.00  -0.000008261   0.000123560  -0.000016009
 C     -0.284545      0.812878      1.390415    0.00  -0.000115564   0.000026696   0.000006411
 H     -2.486460      0.989155     -1.945769    0.00   0.000019667  -0.000007808   0.000002305
 H     -2.380680      2.322677      0.185979    0.00   0.000004888  -0.000016007   0.000000817
 H     -1.370837      3.044415     -1.071463    0.00   0.000003319  -0.000017828   0.000001747
 H      0.682234      2.039557     -0.110109    0.00  -0.000008242  -0.000004338   0.000001477
 H     -0.170054      2.964559      1.138444    0.00  -0.000014458  -0.000012291   0.000002150
 H     -2.680729     -0.208739      0.284436    0.00   0.000010089   0.000001952   0.000000863
 H     -1.072286      0.893885      2.166495    0.00  -0.000010060   0.000000290   0.000000377
 H      0.670327      0.699357      1.941388    0.00  -0.000016325   0.000007022   0.000000591
 H     -0.730748      0.767283     -1.922442    0.00   0.000011540   0.000001478   0.000001905
 O     -0.838488     -1.554229      1.437318    0.00  -0.000134820   0.000284013  -0.000123746
 C     -2.008641     -1.615815     -1.203045    0.00   0.000219791   0.000162978  -0.000008661
 H     -1.981035     -2.503752     -0.554696    0.00   0.000023307   0.000025739   0.000002425
 H     -2.987067     -1.598722     -1.695466    0.00   0.000025972   0.000008328  -0.000011860
 H     -1.247512     -1.738803     -1.981759    0.00   0.000012761   0.000008896   0.000003273
 H      0.000711     -2.018237      1.707855    0.00   0.000018055   0.000005888   0.000005910
 O      0.752971     -0.657997      0.018406    0.00   0.000030945   0.000305146  -0.000118584
 O      0.807938     -1.593236     -1.045670    0.00  -0.000212554   0.000279017   0.000228270
 C      1.089089     -2.872363     -0.603827    0.00  -0.000120070  -0.000247222   0.000154397
 H      1.244102     -3.468605     -1.510372    0.00  -0.000016969  -0.000020234   0.000035349
 O      1.127373     -3.203741      0.553787    0.00   0.000055694  -0.000728691  -0.000236155
26
 Energy =      -0.206879225352
 C     -0.239648      2.059213      0.505924    0.00  -0.000083383  -0.000080347   0.000015338
 C     -1.464368      2.160229     -0.412907    0.00   0.000042977  -0.000133290   0.000022965
 C     -1.618792      0.896507     -1.268236    0.00   0.000143356  -0.000029517   0.000024472
 C     -1.787861     -0.347533     -0.380116    0.00   0.000117615   0.000067210   0.000010447
 C     -0.578278     -0.465103      0.567291    0.00  -0.000008111   0.000118775  -0.000018013
 C     -0.283905      0.810048      1.390075    0.00  -0.000112610   0.000024823   0.000001170
 H     -2.488034      0.994999     -1.944010    0.00   0.000019338  -0.000007530   0.000003051
 H     -2.378348      2.325354      0.189427    0.00   0.000004405  -0.000015681   0.000001647
 H     -1.368081      3.047045     -1.067706    0.00   0.000003768  -0.000016950   0.000002678
 H      0.683889      2.037602     -0.109082    0.00  -0.000007576  -0.000003592   0.000001172
 H     -0.166142      2.961978      1.141481    0.00  -0.000014073  -0.000011748   0.000001820
 H     -2.682616     -0.206266      0.284343    0.00   0.000009179   0.000001925   0.000000917
 H     -1.071207      0.891083      2.166583    0.00  -0.000010051  -0.000000192  -0.000000011
 H      0.671079      0.694288      1.940364    0.00  -0.000015856   0.000006861  -0.000000299
 H     -0.732684      0.770118     -1.922414    0.00   0.000011999   0.000001804   0.000002021
 O     -0.840080     -1.557354      1.432140    0.00  -0.000125274   0.000270891  -0.000118677
 C     -2.013346     -1.611943     -1.205868    0.00   0.000211384   0.000156030  -0.000015426
 H     -1.989243     -2.500734     -0.558582    0.00   0.000022299   0.000024806   0.000001368
 H     -2.990682     -1.591519     -1.700255    0.00   0.000024853   0.000007794  -0.000011984
 H     -1.250804     -1.736261     -1.983063    0.00   0.000012605   0.000008433   0.000002428
 H     -0.000019     -2.015851      1.709277    0.00   0.000017062   0.000006320   0.000005684
 O      0.750182     -0.658464      0.013226    0.00   0.000024795   0.000294894  -0.000114966
 O      0.803266     -1.598996     -1.046352    0.00  -0.000213031   0.000263941   0.000222500
 C      1.092289     -2.874297     -0.598456    0.00  -0.000117169  -0.000241217   0.000151189
 H      1.244457     -3.475431     -1.502219    0.00  -0.000016436  -0.000020381   0.000034392
 O      1.138972     -3.198260      0.560951    0.00   0.000057933  -0.000694062  -0.000225884
26
 Energy =      -0.206926805986
 C     -0.237587      2.057776      0.507530    0.00  -0.000078880  -0.000075559   0.000013597
 C     -1.462873      2.162135     -0.410168    0.00   0.000043538  -0.000127504   0.000028717
 C     -1.620142      0.899949     -1.267245    0.00   0.000141999  -0.000027067   0.000027690
 C     -1.790412     -0.345330     -0.381019    0.00   0.000112073   0.000064391   0.000008727
 C     -0.579993     -0.466101      0.564913    0.00  -0.000007966   0.000113861  -0.000019808
 C     -0.283158      0.807223      1.389654    0.00  -0.000109462   0.000023028  -0.000003520
 H     -2.489825      1.000904     -1.942087    0.00   0.000018927  -0.000007268   0.000003691
 H     -2.376088      2.327921      0.193141    0.00   0.000003929  -0.000015301   0.000002371
 H     -1.365620      3.049741     -1.063761    0.00   0.000004139  -0.000016091   0.000003518
 H      0.685441      2.035706     -0.108227    0.00  -0.000006912  -0.000002919   0.000000918
 H     -0.162180      2.959397      1.144481    0.00  -0.000013659  -0.000011186   0.000001540
 H     -2.684468     -0.203940      0.284267    0.00   0.000008305   0.000001894   0.000000943
 H     -1.069926      0.888253      2.166688    0.00  -0.000010017  -0.000000621  -0.000000367
 H      0.672005      0.689228      1.939137    0.00  -0.000015351   0.000006700  -0.000001100
 H     -0.734827      0.773141     -1.922429    0.00   0.000012355   0.000002061   0.000002127
 O     -0.841673     -1.560398      1.426989    0.00  -0.000116363   0.000257760  -0.000113796
 C     -2.017931     -1.608018     -1.208820    0.00   0.000202759   0.000148963  -0.000021495
 H     -1.997275     -2.497708     -0.562681    0.00   0.000021269   0.000023825   0.000000385
 H     -2.994167     -1.584287     -1.705160    0.00   0.000023720   0.000007269  -0.000012011
 H     -1.253980     -1.733554     -1.984511    0.00   0.000012416   0.000007985   0.000001640
 H     -0.000890     -2.013552      1.710597    0.00   0.000016141   0.000006675   0.000005450
 O      0.747424     -0.659010      0.008019    0.00   0.000019124   0.000284469  -0.000111434
 O      0.798665     -1.604884     -1.046963    0.00  -0.000212530   0.000249211   0.000216496
 C      1.095517     -2.876277     -0.593013    0.00  -0.000113839  -0.000234720   0.000148048
 H      1.244943     -3.482336     -1.493913    0.00  -0.000015825  -0.000020441   0.000033468
 O      1.150456     -3.192749      0.568108    0.00   0.000060109  -0.000659417  -0.000215795
26
 Energy =       -0.20697240252
 C     -0.235547      2.056362      0.509089    0.00  -0.000074377  -0.000070896   0.000012089
 C     -1.461517      2.164052     -0.407301    0.00   0.000043769  -0.000121689   0.000033765
 C     -1.621626      0.903461     -1.266194    0.00   0.000139980  -0.000024844   0.000030375
 C     -1.792930     -0.343136     -0.381946    0.00   0.000106482   0.000061518   0.000007077
 C     -0.581665     -0.467089      0.562488    0.00  -0.000007823   0.000108834  -0.000021389
 C     -0.282306      0.804401      1.389154    0.00  -0.000106123   0.000021309  -0.000007686
 H     -2.491819      1.006863     -1.940004    0.00   0.000018440  -0.000007018   0.000004236
 H     -2.373901      2.330375      0.197109    0.00   0.000003458  -0.000014875   0.000002990
 H     -1.363449      3.052502     -1.059631    0.00   0.000004435  -0.000015252   0.000004271
 H      0.686893      2.033876     -0.107537    0.00  -0.000006255  -0.000002311   0.000000708
 H     -0.158176      2.956817      1.147450    0.00  -0.000013221  -0.000010608   0.000001300
 H     -2.686285     -0.201764      0.284205    0.00   0.000007470   0.000001859   0.000000943
 H     -1.068450      0.885393      2.166813    0.00  -0.000009955  -0.000000998  -0.000000694
 H      0.673102      0.684179      1.937715    0.00  -0.000014813   0.000006538  -0.000001816
 H     -0.737163      0.776348     -1.922485    0.00   0.000012615   0.000002258   0.000002224
 O     -0.843263     -1.563363      1.421863    0.00  -0.000108021   0.000244638  -0.000109048
 C     -2.022394     -1.604044     -1.211894    0.00   0.000193947   0.000141802  -0.000026873
 H     -2.005121     -2.494678     -0.566987    0.00   0.000020226   0.000022804  -0.000000519
 H     -2.997526     -1.577038     -1.710169    0.00   0.000022576   0.000006753  -0.000011953
 H     -1.257044     -1.730683     -1.986102    0.00   0.000012193   0.000007550   0.000000913
 H     -0.001885     -2.011332      1.711823    0.00   0.000015281   0.000006964   0.000005208
 O      0.744696     -0.659633      0.002782    0.00   0.000013916   0.000273870  -0.000107938
 O      0.794135     -1.610897     -1.047507    0.00  -0.000211087   0.000234765   0.000210242
 C      1.098763     -2.878303     -0.587497    0.00  -0.000110123  -0.000227786   0.000144902
 H      1.245538     -3.489317     -1.485453    0.00  -0.000015145  -0.000020426   0.000032563
 O      1.161819     -3.187203      0.575257    0.00   0.000062156  -0.000624762  -0.000205890
26
 Energy =      -0.207016004731
 C     -0.233532      2.054970      0.510607    0.00  -0.000069896  -0.000066353   0.000010775
 C     -1.460296      2.165976     -0.404312    0.00   0.000043683  -0.000115851   0.000038121
 C     -1.623235      0.907034     -1.265084    0.00   0.000137343  -0.000022815   0.000032575
 C     -1.795414     -0.340953     -0.382894    0.00   0.000100863   0.000058606   0.000005510
 C     -0.583294     -0.468067      0.560017    0.00  -0.000007674   0.000103710  -0.000022745
 C     -0.281354      0.801583      1.388576    0.00  -0.000102596   0.000019668  -0.000011353
 H     -2.494005      1.012871     -1.937769    0.00   0.000017883  -0.000006781   0.000004692
 H     -2.371790      2.332716      0.201324    0.00   0.000002998  -0.000014407   0.000003510
 H     -1.361561      3.055324     -1.055321    0.00   0.000004657  -0.000014430   0.000004938
 H      0.688244      2.032115     -0.107002    0.00  -0.000005613  -0.000001763   0.000000539
 H     -0.154142      2.954237      1.150389    0.00  -0.000012764  -0.000010017   0.000001091
 H     -2.688066     -0.199734      0.284156    0.00   0.000006672   0.000001821   0.000000919
 H     -1.066782      0.882500      2.166955    0.00  -0.000009862  -0.000001326  -0.000000995
 H      0.674363      0.679143      1.936100    0.00  -0.000014241   0.000006375  -0.000002447
 H     -0.739681      0.779734     -1.922573    0.00   0.000012782   0.000002402   0.000002314
 O     -0.844847     -1.566253      1.416762    0.00  -0.000100188   0.000231540  -0.000104399
 C     -2.026732     -1.600026     -1.215088    0.00   0.000184975   0.000134567  -0.000031570
 H     -2.012771     -2.491642     -0.571495    0.00   0.000019177   0.000021751  -0.000001346
 H     -3.000758     -1.569775     -1.715271    0.00   0.000021423   0.000006245  -0.000011819
 H     -1.259997     -1.727652     -1.987839    0.00   0.000011935   0.000007123   0.000000251
 H     -0.002990     -2.009185      1.712962    0.00   0.000014476   0.000007195   0.000004964
 O      0.742000     -0.660329     -0.002487    0.00   0.000009150   0.000263086  -0.000104432
 O      0.789671     -1.617028     -1.047984    0.00  -0.000208740   0.000220561   0.000203726
 C      1.102016     -2.880371     -0.581912    0.00  -0.000106058  -0.000220465   0.000141699
 H      1.246227     -3.496371     -1.476846    0.00  -0.000014402  -0.000020342   0.000031664
 O      1.173057     -3.181622      0.582398    0.00   0.000064014  -0.000590100  -0.000196181
26
 Energy =      -0.207057600359
 C     -0.231541      2.053603      0.512085    0.00  -0.000065456  -0.000061922   0.000009622
 C     -1.459209      2.167906     -0.401201    0.00   0.000043297  -0.000109998   0.000041801
 C     -1.624964      0.910666     -1.263916    0.00   0.000134130  -0.000020954   0.000034322
 C     -1.797862     -0.338781     -0.383866    0.00   0.000095227   0.000055656   0.000004035
 C     -0.584877     -0.469036      0.557502    0.00  -0.000007512   0.000098506  -0.000023877
 C     -0.280301      0.798770      1.387926    0.00  -0.000098881   0.000018101  -0.000014543
 H     -2.496374      1.018922     -1.935388    0.00   0.000017263  -0.000006552   0.000005067
 H     -2.369753      2.334940      0.205777    0.00   0.000002548  -0.000013900   0.000003933
 H     -1.359951      3.058205     -1.050836    0.00   0.000004810  -0.000013626   0.000005519
 H      0.689496      2.030428     -0.106614    0.00  -0.000004988  -0.000001270   0.000000407
 H     -0.150083      2.951660      1.153303    0.00  -0.000012289  -0.000009415   0.000000908
 H     -2.689809     -0.197850      0.284117    0.00   0.000005913   0.000001779   0.000000876
 H     -1.064928      0.879573      2.167116    0.00  -0.000009739  -0.000001607  -0.000001270
 H      0.675788      0.674123      1.934297    0.00  -0.000013638   0.000006213  -0.000002997
 H     -0.742371      0.783293     -1.922692    0.00   0.000012863   0.000002500   0.000002397
 O     -0.846419     -1.569071      1.411685    0.00  -0.000092811   0.000218475  -0.000099805
 C     -2.030945     -1.595966     -1.218395    0.00   0.000175863   0.000127278  -0.000035600
 H     -2.020217     -2.488607     -0.576198    0.00   0.000018128   0.000020673  -0.000002094
 H     -3.003867     -1.562509     -1.720459    0.00   0.000020267   0.000005744  -0.000011617
 H     -1.262841     -1.724463     -1.989720    0.00   0.000011642   0.000006702  -0.000000346
 H     -0.004197     -2.007102      1.714018    0.00   0.000013717   0.000007374   0.000004715
 O      0.739339     -0.661097     -0.007788    0.00   0.000004811   0.000252114  -0.000100879
 O      0.785271     -1.623274     -1.048396    0.00  -0.000205515   0.000206568   0.000196942
 C      1.105270     -2.882479     -0.576258    0.00  -0.000101677  -0.000212800   0.000138393
 H      1.246994     -3.503495     -1.468091    0.00  -0.000013598  -0.000020198   0.000030763
 O      1.184162     -3.176003      0.589529    0.00   0.000065628  -0.000555443  -0.000186670
26
 Energy =      -0.207097175382
 C     -0.229578      2.052261      0.513526    0.00  -0.000061071  -0.000057599   0.000008598
 C     -1.458252      2.169839     -0.397973    0.00   0.000042627  -0.000104131   0.000044820
 C     -1.626805      0.914355     -1.262690    0.00   0.000130374  -0.000019242   0.000035647
 C     -1.800275     -0.336622     -0.384858    0.00   0.000089589   0.000052690   0.000002659
 C     -0.586415     -0.469994      0.554944    0.00  -0.000007333   0.000093228  -0.000024778
 C     -0.279151      0.795960      1.387203    0.00  -0.000094979   0.000016609  -0.000017275
 H     -2.498916      1.025012     -1.932864    0.00   0.000016584  -0.000006332   0.000005367
 H     -2.367791      2.337045      0.210459    0.00   0.000002109  -0.000013360   0.000004261
 H     -1.358610      3.061141     -1.046178    0.00   0.000004894  -0.000012836   0.000006016
 H      0.690649      2.028820     -0.106369    0.00  -0.000004384  -0.000000829   0.000000309
 H     -0.146007      2.949084      1.156193    0.00  -0.000011799  -0.000008803   0.000000746
 H     -2.691513     -0.196109      0.284087    0.00   0.000005190   0.000001734   0.000000813
 H     -1.062890      0.876610      2.167295    0.00  -0.000009583  -0.000001843  -0.000001522
 H      0.677370      0.669121      1.932310    0.00  -0.000013005   0.000006051  -0.000003469
 H     -0.745224      0.787020     -1.922838    0.00   0.000012860   0.000002559   0.000002476
 O     -0.847975     -1.571819      1.406630    0.00  -0.000085844   0.000205453  -0.000095235
 C     -2.035030     -1.591869     -1.221814    0.00   0.000166632   0.000119943  -0.000038977
 H     -2.027456     -2.485574     -0.581091    0.00   0.000017084   0.000019574  -0.000002764
 H     -3.006853     -1.555242     -1.725722    0.00   0.000019104   0.000005251  -0.000011355
 H     -1.265577     -1.721118     -1.991743    0.00   0.000011312   0.000006286  -0.000000874
 H     -0.005493     -2.005079      1.715001    0.00   0.000013000   0.000007505   0.000004464
 O      0.736711     -0.661932     -0.013124    0.00   0.000000881   0.000240949  -0.000097242
 O      0.780932     -1.629631     -1.048744    0.00  -0.000201445   0.000192759   0.000189884
 C      1.108517     -2.884622     -0.570537    0.00  -0.000097010  -0.000204820   0.000134950
 H      1.247825     -3.510685     -1.459192    0.00  -0.000012741  -0.000019997   0.000029851
 O      1.195134     -3.170347      0.596650    0.00   0.000066953  -0.000520799  -0.000177370
26
 Energy =      -0.207134714243
 C     -0.227644      2.050943      0.514930    0.00  -0.000056749  -0.000053377   0.000007681
 C     -1.457424      2.171773     -0.394630    0.00   0.000041688  -0.000098254   0.000047195
 C     -1.628755      0.918098     -1.261409    0.00   0.000126110  -0.000017656   0.000036572
 C     -1.802647     -0.334479     -0.385870    0.00   0.000083957   0.000049698   0.000001389
 C     -0.587905     -0.470942      0.552344    0.00  -0.000007126   0.000087893  -0.000025443
 C     -0.277907      0.793155      1.386409    0.00  -0.000090893   0.000015187  -0.000019564
 H     -2.501624      1.031134     -1.930203    0.00   0.000015850  -0.000006117   0.000005594
 H     -2.365903      2.339032      0.215362    0.00   0.000001684  -0.000012788   0.000004497
 H     -1.357536      3.064127     -1.041351    0.00   0.000004913  -0.000012064   0.000006432
 H      0.691704      2.027290     -0.106258    0.00  -0.000003802  -0.000000434   0.000000244
 H     -0.141919      2.946512      1.159061    0.00  -0.000011297  -0.000008183   0.000000600
 H     -2.693177     -0.194514      0.284066    0.00   0.000004505   0.000001687   0.000000732
 H     -1.060674      0.873612      2.167491    0.00  -0.000009393  -0.000002035  -0.000001753
 H      0.679108      0.664138      1.930144    0.00  -0.000012343   0.000005889  -0.000003863
 H     -0.748232      0.790913     -1.923006    0.00   0.000012777   0.000002580   0.000002550
 O     -0.849515     -1.574500      1.401598    0.00  -0.000079247   0.000192480  -0.000090666
 C     -2.038987     -1.587735     -1.225340    0.00   0.000157295   0.000112583  -0.000041716
 H     -2.034479     -2.482545     -0.586170    0.00   0.000016049   0.000018457  -0.000003355
 H     -3.009717     -1.547981     -1.731055    0.00   0.000017940   0.000004764  -0.000011035
 H     -1.268203     -1.717622     -1.993910    0.00   0.000010949   0.000005872  -0.000001334
 H     -0.006871     -2.003110      1.715911    0.00   0.000012319   0.000007596   0.000004213
 O      0.734118     -0.662833     -0.018494    0.00  -0.000002657   0.000229585  -0.000093496
 O      0.776654     -1.636093     -1.049029    0.00  -0.000196559   0.000179116   0.000182548
 C      1.111750     -2.886801     -0.564753    0.00  -0.000092088  -0.000196557   0.000131339
 H      1.248710     -3.517939     -1.450151    0.00  -0.000011832  -0.000019744   0.000028922
 O      1.205967     -3.164651      0.603760    0.00   0.000067950  -0.000486179  -0.000168282
26
 Energy =      -0.207170200081
 C     -0.225740      2.049651      0.516300    0.00  -0.000052494  -0.000049254   0.000006856
 C     -1.456720      2.173707     -0.391175    0.00   0.000040488  -0.000092369   0.000048937
 C     -1.630808      0.921888     -1.260073    0.00   0.000121364  -0.000016181   0.000037118
 C     -1.804979     -0.332352     -0.386904    0.00   0.000078343   0.000046697   0.000000226
 C     -0.589346     -0.471880      0.549704    0.00  -0.000006895   0.000082503  -0.000025878
 C     -0.276570      0.790356      1.385546    0.00  -0.000086623   0.000013836  -0.000021426
 H     -2.504490      1.037286     -1.927405    0.00   0.000015066  -0.000005908   0.000005756
 H     -2.364091      2.340898      0.220482    0.00   0.000001273  -0.000012187   0.000004643
 H     -1.356722      3.067164     -1.036359    0.00   0.000004869  -0.000011304   0.000006768
 H      0.692663      2.025843     -0.106278    0.00  -0.000003245  -0.000000085   0.000000206
 H     -0.137823      2.943942      1.161907    0.00  -0.000010782  -0.000007557   0.000000467
 H     -2.694802     -0.193061      0.284050    0.00   0.000003856   0.000001636   0.000000637
 H     -1.058283      0.870575      2.167703    0.00  -0.000009170  -0.000002184  -0.000001962
 H      0.680996      0.659175      1.927800    0.00  -0.000011653   0.000005727  -0.000004182
 H     -0.751390      0.794965     -1.923195    0.00   0.000012618   0.000002570   0.000002619
 O     -0.851034     -1.577115      1.396589    0.00  -0.000072980   0.000179563  -0.000086070
 C     -2.042813     -1.583570     -1.228970    0.00   0.000147871   0.000105206  -0.000043827
 H     -2.041284     -2.479522     -0.591429    0.00   0.000015023   0.000017329  -0.000003870
 H     -3.012461     -1.540732     -1.736452    0.00   0.000016773   0.000004285  -0.000010666
 H     -1.270721     -1.713974     -1.996215    0.00   0.000010551   0.000005458  -0.000001727
 H     -0.008320     -2.001190      1.716756    0.00   0.000011670   0.000007649   0.000003961
 O      0.731561     -0.663798     -0.023901    0.00  -0.000005813   0.000218015  -0.000089615
 O      0.772434     -1.642655     -1.049252    0.00  -0.000190885   0.000165634   0.000174935
 C      1.114965     -2.889011     -0.558904    0.00  -0.000086934  -0.000188040   0.000127535
 H      1.249635     -3.525252     -1.440971    0.00  -0.000010874  -0.000019442   0.000027972
 O      1.216657     -3.158917      0.610857    0.00   0.000068581  -0.000451594  -0.000159414
26
 Energy =      -0.207203614933
 C     -0.223867      2.048385      0.517638    0.00  -0.000048315  -0.000045225   0.000006106
 C     -1.456140      2.175638     -0.387610    0.00   0.000039049  -0.000086475   0.000050064
 C     -1.632963      0.925726     -1.258681    0.00   0.000116163  -0.000014804   0.000037302
 C     -1.807271     -0.330243     -0.387958    0.00   0.000072754   0.000043691  -0.000000827
 C     -0.590738     -0.472808      0.547025    0.00  -0.000006632   0.000077068  -0.000026077
 C     -0.275142      0.787562      1.384614    0.00  -0.000082169   0.000012551  -0.000022873
 H     -2.507511      1.043464     -1.924476    0.00   0.000014232  -0.000005705   0.000005852
 H     -2.362351      2.342642      0.225810    0.00   0.000000877  -0.000011559   0.000004701
 H     -1.356164      3.070247     -1.031203    0.00   0.000004763  -0.000010559   0.000007024
 H      0.693527      2.024480     -0.106424    0.00  -0.000002714   0.000000223   0.000000198
 H     -0.133722      2.941376      1.164733    0.00  -0.000010256  -0.000006924   0.000000344
 H     -2.696387     -0.191752      0.284039    0.00   0.000003245   0.000001582   0.000000525
 H     -1.055719      0.867501      2.167930    0.00  -0.000008912  -0.000002294  -0.000002151
 H      0.683034      0.654237      1.925283    0.00  -0.000010936   0.000005565  -0.000004428
 H     -0.754691      0.799174     -1.923400    0.00   0.000012386   0.000002531   0.000002686
 O     -0.852530     -1.579667      1.391600    0.00  -0.000067014   0.000166705  -0.000081429
 C     -2.046508     -1.579374     -1.232702    0.00   0.000138373   0.000097821  -0.000045327
 H     -2.047864     -2.476507     -0.596864    0.00   0.000014014   0.000016190  -0.000004306
 H     -3.015083     -1.533496     -1.741907    0.00   0.000015607   0.000003812  -0.000010249
 H     -1.273129     -1.710178     -1.998659    0.00   0.000010118   0.000005046  -0.000002049
 H     -0.009833     -1.999315      1.717538    0.00   0.000011050   0.000007667   0.000003710
 O      0.729042     -0.664823     -0.029345    0.00  -0.000008602   0.000206241  -0.000085583
 O      0.768269     -1.649314     -1.049415    0.00  -0.000184451   0.000152288   0.000167042
 C      1.118154     -2.891250     -0.552994    0.00  -0.000081575  -0.000179280   0.000123518
 H      1.250593     -3.532623     -1.431654    0.00  -0.000009874  -0.000019096   0.000026994
 O      1.227201     -3.153144      0.617939    0.00   0.000068818  -0.000417064  -0.000150767
26
 Energy =      -0.207234939748
 C     -0.222025      2.047143      0.518944    0.00  -0.000044209  -0.000041287   0.000005422
 C     -1.455682      2.177565     -0.383937    0.00   0.000037380  -0.000080574   0.000050587
 C     -1.635213      0.929607     -1.257235    0.00   0.000110528  -0.000013511   0.000037136
 C     -1.809519     -0.328152     -0.389030    0.00   0.000067201   0.000040680  -0.000001768
 C     -0.592080     -0.473725      0.544309    0.00  -0.000006334   0.000071595  -0.000026045
 C     -0.273623      0.784774      1.383616    0.00  -0.000077536   0.000011330  -0.000023918
 H     -2.510678      1.049662     -1.921416    0.00   0.000013354  -0.000005504   0.000005888
 H     -2.360685      2.344262      0.231344    0.00   0.000000496  -0.000010906   0.000004675
 H     -1.355858      3.073373     -1.025885    0.00   0.000004598  -0.000009826   0.000007204
 H      0.694293      2.023203     -0.106693    0.00  -0.000002209   0.000000491   0.000000216
 H     -0.129622      2.938815      1.167538    0.00  -0.000009721  -0.000006286   0.000000229
 H     -2.697931     -0.190585      0.284031    0.00   0.000002670   0.000001524   0.000000400
 H     -1.052985      0.864389      2.168174    0.00  -0.000008620  -0.000002363  -0.000002321
 H      0.685218      0.649322      1.922592    0.00  -0.000010193   0.000005403  -0.000004600
 H     -0.758131      0.803536     -1.923620    0.00   0.000012084   0.000002465   0.000002748
 O     -0.853999     -1.582156      1.386634    0.00  -0.000061321   0.000153914  -0.000076727
 C     -2.050071     -1.575151     -1.236532    0.00   0.000128814   0.000090445  -0.000046221
 H     -2.054218     -2.473503     -0.602472    0.00   0.000013021   0.000015044  -0.000004668
 H     -3.017586     -1.526279     -1.747419    0.00   0.000014443   0.000003347  -0.000009790
 H     -1.275426     -1.706236     -2.001240    0.00   0.000009654   0.000004634  -0.000002304
 H     -0.011404     -1.997478      1.718264    0.00   0.000010454   0.000007656   0.000003459
 O      0.726558     -0.665909     -0.034824    0.00  -0.000011036   0.000194258  -0.000081380
 O      0.764159     -1.656066     -1.049516    0.00  -0.000177281   0.000139085   0.000158868
 C      1.121313     -2.893518     -0.547023    0.00  -0.000076034  -0.000170306   0.000119268
 H      1.251573     -3.540045     -1.422199    0.00  -0.000008832  -0.000018706   0.000025986
 O      1.237596     -3.147332      0.625008    0.00   0.000068631  -0.000382601  -0.000142343
26
 Energy =      -0.207264155161
 C     -0.220215      2.045930      0.520218    0.00  -0.000040183  -0.000037437   0.000004795
 C     -1.455344      2.179486     -0.380157    0.00   0.000035492  -0.000074667   0.000050516
 C     -1.637557      0.933530     -1.255734    0.00   0.000104483  -0.000012295   0.000036632
 C     -1.811724     -0.326080     -0.390122    0.00   0.000061691   0.000037671  -0.000002597
 C     -0.593370     -0.474631      0.541555    0.00  -0.000005999   0.000066089  -0.000025777
 C     -0.272015      0.781992      1.382552    0.00  -0.000072725   0.000010173  -0.000024569
 H     -2.513991      1.055879     -1.918227    0.00   0.000012432  -0.000005308   0.000005864
 H     -2.359090      2.345759      0.237077    0.00   0.000000132  -0.000010229   0.000004566
 H     -1.355801      3.076542     -1.020409    0.00   0.000004377  -0.000009106   0.000007309
 H      0.694965      2.022013     -0.107080    0.00  -0.000001731   0.000000721   0.000000259
 H     -0.125523      2.936259      1.170324    0.00  -0.000009177  -0.000005644   0.000000122
 H     -2.699433     -0.189561      0.284025    0.00   0.000002132   0.000001465   0.000000260
 H     -1.050084      0.861238      2.168430    0.00  -0.000008293  -0.000002396  -0.000002473
 H      0.687545      0.644435      1.919733    0.00  -0.000009424   0.000005242  -0.000004705
 H     -0.761706      0.808049     -1.923853    0.00   0.000011712   0.000002376   0.000002808
 O     -0.855442     -1.584584      1.381689    0.00  -0.000055877   0.000141197  -0.000071952
 C     -2.053498     -1.570903     -1.240459    0.00   0.000119207   0.000083082  -0.000046522
 H     -2.060341     -2.470510     -0.608249    0.00   0.000012047   0.000013893  -0.000004955
 H     -3.019967     -1.519085     -1.752982    0.00   0.000013279   0.000002888  -0.000009289
 H     -1.277610     -1.702148     -2.003955    0.00   0.000009156   0.000004224  -0.000002490
 H     -0.013025     -1.995678      1.718935    0.00   0.000009881   0.000007616   0.000003211
 O      0.724112     -0.667052     -0.040342    0.00  -0.000013124   0.000182066  -0.000076995
 O      0.760104     -1.662907     -1.049558    0.00  -0.000169402   0.000126009   0.000150411
 C      1.124436     -2.895811     -0.540994    0.00  -0.000070335  -0.000161129   0.000114775
 H      1.252568     -3.547519     -1.412612    0.00  -0.000007752  -0.000018276   0.000024944
 O      1.247837     -3.141481      0.632061    0.00   0.000068000  -0.000348226  -0.000134148
26
 Energy =      -0.207291241071
 C     -0.218436      2.044744      0.521462    0.00  -0.000036236  -0.000033674   0.000004217
 C     -1.455125      2.181402     -0.376272    0.00   0.000033401  -0.000068753   0.000049869
 C     -1.639993      0.937492     -1.254178    0.00   0.000098044  -0.000011148   0.000035797
 C     -1.813884     -0.324029     -0.391232    0.00   0.000056230   0.000034668  -0.000003312
 C     -0.594608     -0.475526      0.538765    0.00  -0.000005622   0.000060560  -0.000025280
 C     -0.270320      0.779218      1.381423    0.00  -0.000067738   0.000009079  -0.000024838
 H     -2.517445      1.062109     -1.914911    0.00   0.000011470  -0.000005114   0.000005781
 H     -2.357569      2.347129      0.243006    0.00  -0.000000216  -0.000009529   0.000004374
 H     -1.355991      3.079749     -1.014773    0.00   0.000004100  -0.000008397   0.000007338
 H      0.695542      2.020912     -0.107584    0.00  -0.000001281   0.000000915   0.000000328
 H     -0.121429      2.933710      1.173088    0.00  -0.000008624  -0.000004999   0.000000021
 H     -2.700895     -0.188682      0.284019    0.00   0.000001631   0.000001400   0.000000107
 H     -1.047016      0.858050      2.168702    0.00  -0.000007932  -0.000002391  -0.000002607
 H      0.690016      0.639576      1.916705    0.00  -0.000008632   0.000005081  -0.000004739
 H     -0.765413      0.812710     -1.924095    0.00   0.000011275   0.000002264   0.000002865
 O     -0.856853     -1.586953      1.376766    0.00  -0.000050662   0.000128555  -0.000067091
 C     -2.056788     -1.566630     -1.244482    0.00   0.000109568   0.000075747  -0.000046236
 H     -2.066228     -2.467530     -0.614193    0.00   0.000011094   0.000012741  -0.000005166
 H     -3.022226     -1.511916     -1.758594    0.00   0.000012121   0.000002436  -0.000008750
 H     -1.279678     -1.697916     -2.006804    0.00   0.000008626   0.000003815  -0.000002607
 H     -0.014690     -1.993908      1.719557    0.00   0.000009328   0.000007551   0.000002970
 O      0.721706     -0.668252     -0.045898    0.00  -0.000014874   0.000169661  -0.000072417
 O      0.756100     -1.669832     -1.049541    0.00  -0.000160840   0.000113067   0.000141669
 C      1.127521     -2.898129     -0.534906    0.00  -0.000064498  -0.000151769   0.000110019
 H      1.253569     -3.555041     -1.402892    0.00  -0.000006636  -0.000017808   0.000023866
 O      1.257922     -3.135595      0.639098    0.00   0.000066905  -0.000313957  -0.000126181
26
 Energy =      -0.207316177032
 C     -0.216694      2.043584      0.522674    0.00  -0.000032368  -0.000029996   0.000003687
 C     -1.455023      2.183307     -0.372282    0.00   0.000031116  -0.000062832   0.000048648
 C     -1.642519      0.941491     -1.252568    0.00   0.000091229  -0.000010060   0.000034638
 C     -1.815999     -0.322001     -0.392361    0.00   0.000050828   0.000031675  -0.000003914
 C     -0.595793     -0.476409      0.535940    0.00  -0.000005208   0.000055011  -0.000024551
 C     -0.268537      0.776451      1.380227    0.00  -0.000062579   0.000008042  -0.000024729
 H     -2.521037      1.068350     -1.911466    0.00   0.000010468  -0.000004922   0.000005643
 H     -2.356119      2.348370      0.249130    0.00  -0.000000546  -0.000008809   0.000004101
 H     -1.356425      3.082994     -1.008981    0.00   0.000003768  -0.000007701   0.000007295
 H      0.696023      2.019903     -0.108203    0.00  -0.000000858   0.000001074   0.000000420
 H     -0.117343      2.931168      1.175832    0.00  -0.000008064  -0.000004350  -0.000000075
 H     -2.702314     -0.187948      0.284013    0.00   0.000001167   0.000001332  -0.000000058
 H     -1.043781      0.854824      2.168985    0.00  -0.000007537  -0.000002350  -0.000002724
 H      0.692628      0.634750      1.913508    0.00  -0.000007815   0.000004920  -0.000004705
 H     -0.769249      0.817517     -1.924347    0.00   0.000010775   0.000002130   0.000002919
 O     -0.858232     -1.589262      1.371864    0.00  -0.000045657   0.000116005  -0.000062134
 C     -2.059939     -1.562337     -1.248597    0.00   0.000099908   0.000068447  -0.000045368
 H     -2.071875     -2.464566     -0.620301    0.00   0.000010164   0.000011587  -0.000005304
 H     -3.024361     -1.504776     -1.764253    0.00   0.000010967   0.000001991  -0.000008173
 H     -1.281628     -1.693542     -2.009784    0.00   0.000008066   0.000003408  -0.000002654
 H     -0.016394     -1.992166      1.720133    0.00   0.000008794   0.000007463   0.000002725
 O      0.719337     -0.669506     -0.051492    0.00  -0.000016297   0.000157046  -0.000067632
 O      0.752149     -1.676839     -1.049466    0.00  -0.000151620   0.000100253   0.000132644
 C      1.130562     -2.900469     -0.528762    0.00  -0.000058540  -0.000142238   0.000104990
 H      1.254566     -3.562608     -1.393041    0.00  -0.000005489  -0.000017303   0.000022749
 O      1.267847     -3.129674      0.646117    0.00   0.000065328  -0.000279824  -0.000118441
26
 Energy =      -0.207417694376
 C     -0.681526      1.970769      1.005046    0.00   0.000042529   0.000004456   0.000036070
 C     -1.893268      2.048169      0.067966    0.00  -0.000043930  -0.000026676  -0.000084593
 C     -1.805160      0.978016     -1.026528    0.00  -0.000086987  -0.000040563  -0.000096847
 C     -1.770949     -0.436081     -0.421323    0.00   0.000033116   0.000006117  -0.000024102
 C     -0.608772     -0.546009      0.584750    0.00   0.000015082   0.000001915   0.000034448
 C     -0.541611      0.584152      1.636989    0.00   0.000029557   0.000022711   0.000057659
 H     -2.664603      1.065665     -1.716829    0.00  -0.000042951  -0.000048542  -0.000007924
 H     -2.829797      1.927069      0.645631    0.00  -0.000017336  -0.000004175  -0.000045082
 H     -1.948300      3.052911     -0.392353    0.00  -0.000018902  -0.000007517   0.000001110
 H      0.242577      2.211182      0.439577    0.00   0.000019674   0.000005768   0.000048599
 H     -0.763998      2.736035      1.800069    0.00  -0.000012978   0.000037805  -0.000005330
 H     -2.708566     -0.603040      0.173780    0.00   0.000001101  -0.000006151  -0.000023959
 H     -1.349009      0.396516      2.373640    0.00   0.000001348   0.000005911  -0.000001176
 H      0.408846      0.517261      2.204167    0.00   0.000004499   0.000004730   0.000010237
 H     -0.898386      1.141404     -1.643256    0.00   0.000008025   0.000000055   0.000049854
 O     -0.743926     -1.808828      1.210636    0.00  -0.000002058   0.000007110   0.000024052
 C     -1.700343     -1.507297     -1.507330    0.00   0.000013419   0.000016301   0.000076418
 H     -1.607513     -2.505106     -1.056026    0.00   0.000007091  -0.000002162   0.000003262
 H     -2.602586     -1.505121     -2.127691    0.00  -0.000002867  -0.000009442   0.000010026
 H     -0.837960     -1.360064     -2.169506    0.00   0.000002772   0.000008160   0.000017832
 H      0.098924     -2.086480      1.663173    0.00  -0.000001544  -0.000000151   0.000000936
 O      0.757166     -0.440115      0.095788    0.00   0.000010936   0.000017148   0.000029514
 O      1.050722     -1.349455     -0.952394    0.00   0.000031042   0.000049469   0.000082215
 C      1.624911     -2.510784     -0.469174    0.00  -0.000011331  -0.000057769   0.000092502
 H      1.934544     -3.077367     -1.354455    0.00   0.000021156  -0.000021260   0.000034195
 O      1.724438     -2.788685      0.699479    0.00  -0.000000465   0.000036752  -0.000319916
26
 Energy =      -0.207386706195
 C     -0.676100      1.970246      0.998028    0.00   0.000116023  -0.000013742   0.000137674
 C     -1.898055      2.046846      0.074408    0.00  -0.000043950   0.000006590  -0.000110491
 C     -1.819515      0.977951     -1.022021    0.00  -0.000149157  -0.000105841  -0.000194124
 C     -1.772196     -0.437528     -0.421104    0.00   0.000013098  -0.000021685  -0.000053429
 C     -0.607560     -0.546245      0.582281    0.00   0.000018954  -0.000030419   0.000031697
 C     -0.535355      0.585310      1.633158    0.00   0.000059706   0.000020830   0.000097933
 H     -2.688172      1.063170     -1.701158    0.00  -0.000049796  -0.000052267  -0.000028712
 H     -2.828004      1.923484      0.662114    0.00  -0.000014256   0.000008763  -0.000045474
 H     -1.959916      3.051877     -0.384350    0.00  -0.000014342  -0.000005038  -0.000006746
 H      0.242607      2.204940      0.421440    0.00   0.000031889  -0.000007060   0.000060677
 H     -0.747023      2.738956      1.790771    0.00  -0.000007537   0.000048213   0.000012145
 H     -2.707202     -0.613125      0.175840    0.00   0.000006954  -0.000005995  -0.000021104
 H     -1.340138      0.399796      2.373073    0.00   0.000000385   0.000008676   0.000003658
 H      0.417187      0.518402      2.196906    0.00   0.000007725   0.000001820   0.000013804
 H     -0.921565      1.146274     -1.650152    0.00  -0.000003917  -0.000017059   0.000042270
 O     -0.744210     -1.808122      1.209039    0.00  -0.000017764  -0.000049205   0.000011649
 C     -1.696871     -1.504053     -1.511486    0.00  -0.000024738   0.000005775   0.000069302
 H     -1.606761     -2.503891     -1.064152    0.00   0.000006716  -0.000010736  -0.000007576
 H     -2.595931     -1.498705     -2.136453    0.00  -0.000015783  -0.000018501   0.000019359
 H     -0.830933     -1.354276     -2.168487    0.00   0.000008124   0.000015191   0.000018803
 H      0.098268     -2.087262      1.661907    0.00  -0.000000510  -0.000005200  -0.000000185
 O      0.758907     -0.439586      0.095205    0.00  -0.000000481   0.000038582   0.000004299
 O      1.061152     -1.347256     -0.951653    0.00   0.000076780   0.000195554   0.000182089
 C      1.629043     -2.510304     -0.465378    0.00  -0.000010393   0.000019648   0.000184855
 H      1.951223     -3.073601     -1.348319    0.00   0.000043084  -0.000018134   0.000069168
 O      1.711873     -2.793411      0.703490    0.00  -0.000036813  -0.000008759  -0.000491542
26
 Energy =      -0.207330187746
 C     -0.668915      1.968710      0.990229    0.00   0.000197739  -0.000031998   0.000252409
 C     -1.900260      2.046261      0.079402    0.00  -0.000039146   0.000040844  -0.000131455
 C     -1.833111      0.977609     -1.018020    0.00  -0.000226224  -0.000170048  -0.000292580
 C     -1.775042     -0.438805     -0.420387    0.00  -0.000020498  -0.000053729  -0.000092563
 C     -0.607773     -0.547481      0.579946    0.00   0.000025204  -0.000076388   0.000029428
 C     -0.530026      0.585594      1.629468    0.00   0.000099555   0.000020506   0.000154953
 H     -2.710727      1.061300     -1.685866    0.00  -0.000055678  -0.000049133  -0.000050823
 H     -2.824089      1.923068      0.676700    0.00  -0.000010443   0.000022400  -0.000045792
 H     -1.966584      3.051351     -0.378570    0.00  -0.000013113  -0.000002594  -0.000011368
 H      0.244992      2.195669      0.402989    0.00   0.000041333  -0.000022946   0.000066930
 H     -0.727401      2.741384      1.780022    0.00   0.000005899   0.000050158   0.000033731
 H     -2.707480     -0.620704      0.178953    0.00   0.000009283  -0.000005421  -0.000022962
 H     -1.333186      0.403507      2.371811    0.00   0.000000795   0.000012818   0.000008940
 H      0.423897      0.517502      2.190816    0.00   0.000013559   0.000000004   0.000019726
 H     -0.943904      1.148849     -1.657604    0.00  -0.000018968  -0.000035466   0.000030086
 O     -0.746452     -1.808456      1.207158    0.00  -0.000048176  -0.000131463  -0.000009324
 C     -1.697545     -1.501932     -1.513959    0.00  -0.000085547  -0.000036059   0.000030741
 H     -1.614776     -2.503701     -1.069503    0.00  -0.000000247  -0.000024680  -0.000020760
 H     -2.592340     -1.490463     -2.144921    0.00  -0.000027976  -0.000021472   0.000027843
 H     -0.826401     -1.353780     -2.164439    0.00   0.000014658   0.000018411   0.000012903
 H      0.096120     -2.090345      1.658768    0.00   0.000002103  -0.000013315  -0.000000882
 O      0.759521     -0.439346      0.095992    0.00  -0.000006058   0.000055259  -0.000033143
 O      1.073179     -1.343246     -0.950437    0.00   0.000141731   0.000392921   0.000306834
 C      1.636738     -2.507389     -0.461939    0.00   0.000018655   0.000159094   0.000276762
 H      1.975339     -3.064915     -1.342393    0.00   0.000062154   0.000004236   0.000099025
 O      1.700350     -2.797754      0.706496    0.00  -0.000080592  -0.000101938  -0.000638661
26
 Energy =      -0.207243115835
 C     -0.661566      1.966888      0.982530    0.00   0.000277046  -0.000051006   0.000363664
 C     -1.901418      2.045975      0.083589    0.00  -0.000033297   0.000071173  -0.000153513
 C     -1.845567      0.977285     -1.014436    0.00  -0.000303402  -0.000226841  -0.000383777
 C     -1.778578     -0.439812     -0.419498    0.00  -0.000060016  -0.000086747  -0.000134770
 C     -0.608605     -0.549131      0.577593    0.00   0.000033264  -0.000129173   0.000029692
 C     -0.524957      0.585503      1.625776    0.00   0.000147744   0.000023037   0.000224451
 H     -2.731302      1.060002     -1.671720    0.00  -0.000062072  -0.000045425  -0.000070624
 H     -2.819585      1.923687      0.689727    0.00  -0.000006401   0.000034942  -0.000047268
 H     -1.971184      3.051080     -0.373811    0.00  -0.000013282  -0.000000719  -0.000015536
 H      0.247871      2.186167      0.385484    0.00   0.000049102  -0.000038197   0.000072791
 H     -0.708179      2.743266      1.769373    0.00   0.000020026   0.000050604   0.000054009
 H     -2.708523     -0.626378      0.182579    0.00   0.000009352  -0.000004213  -0.000026878
 H     -1.326492      0.406987      2.370546    0.00   0.000003211   0.000018519   0.000014700
 H      0.430334      0.515938      2.184724    0.00   0.000020627  -0.000001558   0.000028364
 H     -0.964487      1.150422     -1.664582    0.00  -0.000032974  -0.000051894   0.000018734
 O     -0.749705     -1.809164      1.205167    0.00  -0.000089548  -0.000224940  -0.000036152
 C     -1.700690     -1.500447     -1.515446    0.00  -0.000158809  -0.000098366  -0.000028474
 H     -1.627050     -2.503915     -1.073168    0.00  -0.000012507  -0.000039409  -0.000032320
 H     -2.591067     -1.481773     -2.152423    0.00  -0.000038382  -0.000021161   0.000033033
 H     -0.824062     -1.356040     -2.159367    0.00   0.000018968   0.000017033   0.000001595
 H      0.093191     -2.094538      1.654617    0.00   0.000005081  -0.000023414  -0.000001302
 O      0.759648     -0.439409      0.097310    0.00  -0.000004576   0.000066513  -0.000075692
 O      1.085856     -1.338634     -0.948996    0.00   0.000218366   0.000613501   0.000443673
 C      1.646221     -2.503448     -0.458608    0.00   0.000061002   0.000328157   0.000370466
 H      2.002958     -3.054082     -1.336207    0.00   0.000079641   0.000036542   0.000126041
 O      1.689651     -2.801911      0.708853    0.00  -0.000128163  -0.000216961  -0.000774908
26
 Energy =      -0.207123173188
 C     -0.654413      1.964991      0.975070    0.00   0.000352680  -0.000070818   0.000469790
 C     -1.902112      2.045766      0.087335    0.00  -0.000025411   0.000097746  -0.000179345
 C     -1.857033      0.977026     -1.011151    0.00  -0.000375483  -0.000275954  -0.000466523
 C     -1.782453     -0.440612     -0.418559    0.00  -0.000101999  -0.000120800  -0.000177449
 C     -0.609740     -0.550998      0.575174    0.00   0.000043013  -0.000186749   0.000031885
 C     -0.519853      0.585224      1.622018    0.00   0.000204165   0.000028644   0.000304383
 H     -2.750072      1.059151     -1.658658    0.00  -0.000068495  -0.000041872  -0.000087718
 H     -2.814925      1.924484      0.701699    0.00  -0.000001719   0.000046262  -0.000049946
 H     -1.974916      3.050906     -0.369485    0.00  -0.000014255   0.000000711  -0.000020260
 H      0.250713      2.177108      0.368916    0.00   0.000055559  -0.000052411   0.000079157
 H     -0.689885      2.744705      1.759101    0.00   0.000033469   0.000050823   0.000072503
 H     -2.709964     -0.630726      0.186476    0.00   0.000008068  -0.000002524  -0.000031515
 H     -1.319467      0.410125      2.369462    0.00   0.000007550   0.000025689   0.000020674
 H      0.436994      0.514153      2.178247    0.00   0.000028811  -0.000002933   0.000039510
 H     -0.983455      1.151507     -1.670908    0.00  -0.000045356  -0.000065953   0.000008544
 O     -0.753576     -1.810007      1.203159    0.00  -0.000140388  -0.000323291  -0.000069664
 C     -1.705425     -1.499359     -1.516353    0.00  -0.000240614  -0.000174910  -0.000101047
 H     -1.641275     -2.504271     -1.075816    0.00  -0.000026907  -0.000053312  -0.000042164
 H     -2.591658     -1.473306     -2.158786    0.00  -0.000047953  -0.000020356   0.000034141
 H     -0.823647     -1.359666     -2.154237    0.00   0.000020309   0.000011605  -0.000011812
 H      0.089767     -2.099359      1.649870    0.00   0.000008111  -0.000034804  -0.000001703
 O      0.759531     -0.439728      0.098856    0.00   0.000002505   0.000072641  -0.000121438
 O      1.098907     -1.333767     -0.947429    0.00   0.000302000   0.000847953   0.000587944
 C      1.656722     -2.498973     -0.455243    0.00   0.000109199   0.000515408   0.000463975
 H      2.032549     -3.042138     -1.329479    0.00   0.000096281   0.000074947   0.000150791
 O      1.679425     -2.805924      0.710745    0.00  -0.000183139  -0.000345742  -0.000902711
26
 Energy =      -0.206969002827
 C     -0.647515      1.963083      0.967854    0.00   0.000425500  -0.000091022   0.000571420
 C     -1.902571      2.045519      0.090827    0.00  -0.000013853   0.000121147  -0.000210217
 C     -1.867642      0.976827     -1.008091    0.00  -0.000440153  -0.000317834  -0.000540933
 C     -1.786514     -0.441268     -0.417630    0.00  -0.000144253  -0.000156508  -0.000219626
 C     -0.611054     -0.553013      0.572681    0.00   0.000054441  -0.000248390   0.000034963
 C     -0.514589      0.584824      1.618166    0.00   0.000268933   0.000037503   0.000393696
 H     -2.767254      1.058654     -1.646566    0.00  -0.000074576  -0.000038470  -0.000102165
 H     -2.810236      1.925077      0.712936    0.00   0.000003952   0.000056450  -0.000053778
 H     -1.978303      3.050739     -0.365305    0.00  -0.000015779   0.000001795  -0.000025953
 H      0.253363      2.168637      0.353137    0.00   0.000060916  -0.000065695   0.000086065
 H     -0.672535      2.745779      1.749230    0.00   0.000046117   0.000051005   0.000089439
 H     -2.711645     -0.634111      0.190509    0.00   0.000005950  -0.000000605  -0.000036334
 H     -1.311895      0.412920      2.368612    0.00   0.000013716   0.000034291   0.000026796
 H      0.444067      0.512292      2.171267    0.00   0.000038111  -0.000004156   0.000052963
 H     -1.000985      1.152313     -1.676573    0.00  -0.000056041  -0.000077684  -0.000000646
 O     -0.757890     -1.810881      1.201206    0.00  -0.000200194  -0.000422648  -0.000111552
 C     -1.711282     -1.498548     -1.516908    0.00  -0.000328675  -0.000262320  -0.000182023
 H     -1.656308     -2.504667     -1.077813    0.00  -0.000041467  -0.000066056  -0.000050763
 H     -2.593847     -1.465362     -2.164008    0.00  -0.000057491  -0.000020546   0.000031381
 H     -0.824949     -1.363937     -2.149521    0.00   0.000018845   0.000002822  -0.000025161
 H      0.085969     -2.104587      1.644751    0.00   0.000011051  -0.000047067  -0.000002284
 O      0.759257     -0.440266      0.100507    0.00   0.000013500   0.000073438  -0.000169791
 O      1.112208     -1.328758     -0.945775    0.00   0.000389289   0.001092270   0.000737570
 C      1.667856     -2.494152     -0.451778    0.00   0.000158893   0.000715345   0.000555266
 H      2.063367     -3.029532     -1.322064    0.00   0.000112235   0.000117628   0.000173186
 O      1.669458     -2.809771      0.712262    0.00  -0.000248967  -0.000484692  -0.001021521
26
 Energy =      -0.206779662879
 C     -0.640863      1.961180      0.960863    0.00   0.000496678  -0.000111103   0.000669347
 C     -1.902896      2.045161      0.094175    0.00   0.000002888   0.000141966  -0.000246761
 C     -1.877486      0.976665     -1.005212    0.00  -0.000496010  -0.000353017  -0.000607428
 C     -1.790681     -0.441841     -0.416741    0.00  -0.000185153  -0.000194534  -0.000260966
 C     -0.612494     -0.555147      0.570118    0.00   0.000067445  -0.000313877   0.000037851
 C     -0.509100      0.584337      1.614214    0.00   0.000342228   0.000049913   0.000491793
 H     -2.783019      1.058450     -1.635352    0.00  -0.000080113  -0.000035158  -0.000114104
 H     -2.805552      1.925268      0.723641    0.00   0.000010863   0.000065632  -0.000058725
 H     -1.981598      3.050515     -0.361112    0.00  -0.000017681   0.000002604  -0.000032798
 H      0.255789      2.160765      0.338013    0.00   0.000065324  -0.000078176   0.000093420
 H     -0.656044      2.746551      1.739732    0.00   0.000058100   0.000051162   0.000105094
 H     -2.713488     -0.636776      0.194589    0.00   0.000003330   0.000001287  -0.000041080
 H     -1.303683      0.415390      2.368013    0.00   0.000021653   0.000044346   0.000033058
 H      0.451629      0.510405      2.163742    0.00   0.000048569  -0.000005257   0.000068609
 H     -1.017206      1.152935     -1.681608    0.00  -0.000065027  -0.000087205  -0.000008987
 O     -0.762558     -1.811740      1.199368    0.00  -0.000268860  -0.000520236  -0.000163579
 C     -1.717979     -1.497950     -1.517253    0.00  -0.000420930  -0.000358361  -0.000267635
 H     -1.671562     -2.505073     -1.079390    0.00  -0.000055236  -0.000077823  -0.000058559
 H     -2.597428     -1.458047     -2.168174    0.00  -0.000067431  -0.000022291   0.000025508
 H     -0.827770     -1.368468     -2.145444    0.00   0.000015107  -0.000008583  -0.000037370
 H      0.081861     -2.110097      1.639401    0.00   0.000013815  -0.000059922  -0.000003204
 O      0.758863     -0.440990      0.102202    0.00   0.000026581   0.000068244  -0.000220387
 O      1.125684     -1.323646     -0.944058    0.00   0.000477569   0.001344044   0.000891264
 C      1.679393     -2.489074     -0.448181    0.00   0.000207031   0.000924419   0.000642848
 H      2.094955     -3.016509     -1.313882    0.00   0.000127471   0.000163445   0.000193030
 O      1.659629     -2.813415      0.713448    0.00  -0.000328209  -0.000631519  -0.001130239
26
 Energy =      -0.206554434395
 C     -0.634421      1.959288      0.954075    0.00   0.000567253  -0.000130511   0.000764272
 C     -1.903134      2.044640      0.097447    0.00   0.000026121   0.000160735  -0.000289234
 C     -1.886634      0.976517     -1.002488    0.00  -0.000542122  -0.000382024  -0.000666504
 C     -1.794909     -0.442376     -0.415914    0.00  -0.000223510  -0.000235531  -0.000301520
 C     -0.614032     -0.557389      0.567497    0.00   0.000081768  -0.000383146   0.000039404
 C     -0.503345      0.583775      1.610160    0.00   0.000424368   0.000066222   0.000598392
 H     -2.797494      1.058492     -1.624945    0.00  -0.000084993  -0.000031880  -0.000123677
 H     -2.800872      1.924943      0.733949    0.00   0.000019176   0.000073916  -0.000064724
 H     -1.984937      3.050191     -0.356810    0.00  -0.000019816   0.000003190  -0.000040884
 H      0.257996      2.153461      0.323443    0.00   0.000068907  -0.000089934   0.000101142
 H     -0.640313      2.747061      1.730573    0.00   0.000069550   0.000051280   0.000119664
 H     -2.715452     -0.638898      0.198648    0.00   0.000000438   0.000002900  -0.000045624
 H     -1.294781      0.417558      2.367674    0.00   0.000031357   0.000055937   0.000039473
 H      0.459724      0.508509      2.155656    0.00   0.000060236  -0.000006261   0.000086409
 H     -1.032218      1.153414     -1.686048    0.00  -0.000072299  -0.000094641  -0.000016600
 O     -0.767526     -1.812552      1.197694    0.00  -0.000346333  -0.000614069  -0.000227248
 C     -1.725315     -1.497522     -1.517484    0.00  -0.000515299  -0.000461212  -0.000354839
 H     -1.686742     -2.505484     -1.080702    0.00  -0.000067908  -0.000088997  -0.000065851
 H     -2.602202     -1.451360     -2.171418    0.00  -0.000077900  -0.000025588   0.000017520
 H     -0.831900     -1.373054     -2.142085    0.00   0.000009758  -0.000021899  -0.000048094
 H      0.077477     -2.115811      1.633923    0.00   0.000016334  -0.000073182  -0.000004577
 O      0.758353     -0.441877      0.103904    0.00   0.000039790   0.000056076  -0.000272950
 O      1.139282     -1.318441     -0.942291    0.00   0.000564587   0.001601541   0.001048063
 C      1.691173     -2.483783     -0.444436    0.00   0.000251225   0.001139981   0.000725626
 H      2.126997     -3.003216     -1.304899    0.00   0.000141893   0.000211559   0.000210153
 O      1.649864     -2.816814      0.714326    0.00  -0.000422580  -0.000784462  -0.001227793
26
 Energy =      -0.206292736074
 C     -0.628156      1.957402      0.947472    0.00   0.000638088  -0.000148703   0.000856751
 C     -1.903302      2.043926      0.100687    0.00   0.000056925   0.000177901  -0.000337607
 C     -1.895135      0.976359     -0.999896    0.00  -0.000577775  -0.000405309  -0.000718706
 C     -1.799171     -0.442916     -0.415159    0.00  -0.000258525  -0.000280185  -0.000341596
 C     -0.615663     -0.559736      0.564833    0.00   0.000097110  -0.000456264   0.000038462
 C     -0.497302      0.583145      1.606006    0.00   0.000515744   0.000086874   0.000713535
 H     -2.810782      1.058741     -1.615291    0.00  -0.000089133  -0.000028584  -0.000130999
 H     -2.796186      1.924036      0.743959    0.00   0.000028997   0.000081402  -0.000071714
 H     -1.988388      3.049733     -0.352340    0.00  -0.000022046   0.000003599  -0.000050220
 H      0.260004      2.146692      0.309350    0.00   0.000071740  -0.000101008   0.000109164
 H     -0.625253      2.747344      1.721721    0.00   0.000080587   0.000051342   0.000133295
 H     -2.717522     -0.640614      0.202629    0.00  -0.000002576   0.000004001  -0.000049908
 H     -1.285147      0.419444      2.367601    0.00   0.000042858   0.000069188   0.000046061
 H      0.468378      0.506601      2.147002    0.00   0.000073186  -0.000007184   0.000106409
 H     -1.046094      1.153767     -1.689930    0.00  -0.000077837  -0.000100121  -0.000023590
 O     -0.772759     -1.813302      1.196228    0.00  -0.000432436  -0.000702862  -0.000303697
 C     -1.733140     -1.497241     -1.517668    0.00  -0.000609779  -0.000569275  -0.000441104
 H     -1.701717     -2.505911     -1.081860    0.00  -0.000079522  -0.000099997  -0.000072807
 H     -2.607973     -1.445245     -2.173901    0.00  -0.000088825  -0.000030158   0.000008458
 H     -0.837127     -1.377598     -2.139441    0.00   0.000003456  -0.000036452  -0.000057393
 H      0.072839     -2.121674      1.628391    0.00   0.000018540  -0.000086703  -0.000006520
 O      0.757719     -0.442902      0.105583    0.00   0.000051022   0.000035880  -0.000327236
 O      1.152959     -1.313145     -0.940486    0.00   0.000648370   0.001863414   0.001207026
 C      1.703080     -2.478304     -0.440538    0.00   0.000289535   0.001359961   0.000802796
 H      2.159250     -2.989753     -1.295098    0.00   0.000155361   0.000261317   0.000224427
 O      1.640115     -2.819936      0.714913    0.00  -0.000533063  -0.000942077  -0.001313288
26
 Energy =      -0.205994070877
 C     -0.622034      1.955519      0.941039    0.00   0.000709799  -0.000165196   0.000947291
 C     -1.903408      2.042990      0.103927    0.00   0.000096192   0.000193856  -0.000391614
 C     -1.903026      0.976170     -0.997422    0.00  -0.000602356  -0.000423269  -0.000764550
 C     -1.803451     -0.443492     -0.414484    0.00  -0.000289732  -0.000329154  -0.000381792
 C     -0.617387     -0.562186      0.562140    0.00   0.000113087  -0.000533440   0.000033774
 C     -0.490945      0.582452      1.601753    0.00   0.000616853   0.000112382   0.000837598
 H     -2.822966      1.059172     -1.606344    0.00  -0.000092478  -0.000025228  -0.000136159
 H     -2.791477      1.922507      0.753736    0.00   0.000040388   0.000088177  -0.000079609
 H     -1.991987      3.049112     -0.347665    0.00  -0.000024238   0.000003859  -0.000060776
 H      0.261836      2.140423      0.295677    0.00   0.000073864  -0.000111389   0.000117443
 H     -0.610792      2.747424      1.713153    0.00   0.000091291   0.000051332   0.000146073
 H     -2.719692     -0.642029      0.206485    0.00  -0.000005621   0.000004374  -0.000053920
 H     -1.274747      0.421068      2.367804    0.00   0.000056234   0.000084286   0.000052850
 H      0.477615      0.504681      2.137765    0.00   0.000087516  -0.000008037   0.000128746
 H     -1.058888      1.153996     -1.693286    0.00  -0.000081593  -0.000103751  -0.000030053
 O     -0.778237     -1.813979      1.195000    0.00  -0.000526702  -0.000785927  -0.000393689
 C     -1.741331     -1.497088     -1.517858    0.00  -0.000702613  -0.000681166  -0.000524305
 H     -1.716445     -2.506371     -1.082957    0.00  -0.000090258  -0.000111202  -0.000079481
 H     -2.614544     -1.439621     -2.175787    0.00  -0.000100045  -0.000035636  -0.000000724
 H     -0.843242     -1.382059     -2.137456    0.00  -0.000003227  -0.000051628  -0.000065502
 H      0.067959     -2.127647      1.622868    0.00   0.000020390  -0.000100389  -0.000009105
 O      0.756944     -0.444042      0.107218    0.00   0.000058042   0.000006531  -0.000383178
 O      1.166675     -1.307754     -0.938647    0.00   0.000727162   0.002128909   0.001367304
 C      1.715022     -2.472649     -0.436486    0.00   0.000320286   0.001582623   0.000873656
 H      2.191523     -2.976191     -1.284486    0.00   0.000167703   0.000312154   0.000235747
 O      1.630357     -2.822751      0.715218    0.00  -0.000659944  -0.001103070  -0.001386024
26
 Energy =      -0.205657979662
 C     -0.616024      1.953639      0.934765    0.00   0.000782740  -0.000179515   0.001036400
 C     -1.903449      2.041815      0.107187    0.00   0.000144629   0.000208890  -0.000450775
 C     -1.910338      0.975928     -0.995055    0.00  -0.000615271  -0.000436197  -0.000804528
 C     -1.807744     -0.444134     -0.413891    0.00  -0.000316942  -0.000383134  -0.000423035
 C     -0.619215     -0.564743      0.559434    0.00   0.000129276  -0.000615061   0.000023958
 C     -0.484254      0.581699      1.597403    0.00   0.000728305   0.000143303   0.000971380
 H     -2.834108      1.059759     -1.598069    0.00  -0.000094980  -0.000021775  -0.000139204
 H     -2.786725      1.920336      0.763328    0.00   0.000053370   0.000094317  -0.000088293
 H     -1.995750      3.048307     -0.342763    0.00  -0.000026255   0.000003985  -0.000072483
 H      0.263517      2.134631      0.282381    0.00   0.000075271  -0.000121043   0.000125967
 H     -0.596868      2.747320      1.704849    0.00   0.000101707   0.000051233   0.000158040
 H     -2.721970     -0.643231      0.210176    0.00  -0.000008649   0.000003812  -0.000057688
 H     -1.263537      0.422446      2.368294    0.00   0.000071613   0.000101480   0.000059881
 H      0.487460      0.502744      2.127927    0.00   0.000103340  -0.000008832   0.000153659
 H     -1.070644      1.154091     -1.696141    0.00  -0.000083475  -0.000105605  -0.000036086
 O     -0.783940     -1.814580      1.194039    0.00  -0.000628195  -0.000863139  -0.000497594
 C     -1.749784     -1.497051     -1.518089    0.00  -0.000792422  -0.000795720  -0.000602597
 H     -1.730928     -2.506876     -1.084065    0.00  -0.000100320  -0.000122929  -0.000085842
 H     -2.621726     -1.434398     -2.177239    0.00  -0.000111375  -0.000041679  -0.000009214
 H     -0.850051     -1.386429     -2.136050    0.00  -0.000009851  -0.000066879  -0.000072681
 H      0.062844     -2.133702      1.617399    0.00   0.000021846  -0.000114159  -0.000012396
 O      0.756009     -0.445277      0.108792    0.00   0.000058442  -0.000033026  -0.000440947
 O      1.180398     -1.302260     -0.936775    0.00   0.000799355   0.002397870   0.001527985
 C      1.726923     -2.466828     -0.432282    0.00   0.000342011   0.001806467   0.000937554
 H      2.223648     -2.962581     -1.273080    0.00   0.000178702   0.000363562   0.000244026
 O      1.620573     -2.825238      0.715251    0.00  -0.000802873  -0.001266228  -0.001445487
26
 Energy =      -0.205283995076
 C     -0.610102      1.951760      0.928641    0.00   0.000856981  -0.000191181   0.001124663
 C     -1.903418      2.040389      0.110478    0.00   0.000202758   0.000223255  -0.000514368
 C     -1.917096      0.975616     -0.992784    0.00  -0.000615868  -0.000444271  -0.000839143
 C     -1.812054     -0.444868     -0.413379    0.00  -0.000340241  -0.000442888  -0.000466607
 C     -0.621158     -0.567410      0.556731    0.00   0.000145158  -0.000701736   0.000007409
 C     -0.477209      0.580889      1.592955    0.00   0.000850819   0.000180207   0.001116171
 H     -2.844259      1.060486     -1.590441    0.00  -0.000096590  -0.000018189  -0.000140130
 H     -2.781917      1.917518      0.772769    0.00   0.000067926   0.000099891  -0.000097627
 H     -1.999672      3.047300     -0.337625    0.00  -0.000027969   0.000003971  -0.000085238
 H      0.265070      2.129302      0.269432    0.00   0.000075908  -0.000129895   0.000134750
 H     -0.583440      2.747047      1.696800    0.00   0.000111845   0.000051033   0.000169194
 H     -2.724370     -0.644292      0.213668    0.00  -0.000011655   0.000002103  -0.000061272
 H     -1.251468      0.423594      2.369087    0.00   0.000089176   0.000121095   0.000067222
 H      0.497942      0.500789      2.117456    0.00   0.000120793  -0.000009589   0.000181499
 H     -1.081392      1.154034     -1.698517    0.00  -0.000083332  -0.000105725  -0.000041790
 O     -0.789851     -1.815109      1.193358    0.00  -0.000735343  -0.000934852  -0.000615388
 C     -1.758414     -1.497115     -1.518392    0.00  -0.000878246  -0.000912011  -0.000674347
 H     -1.745188     -2.507438     -1.085248    0.00  -0.000109870  -0.000135419  -0.000091777
 H     -2.629345     -1.429487     -2.178403    0.00  -0.000122647  -0.000048012  -0.000016358
 H     -0.857373     -1.390709     -2.135134    0.00  -0.000016128  -0.000081721  -0.000079132
 H      0.057506     -2.139813      1.612025    0.00   0.000022888  -0.000127944  -0.000016423
 O      0.754886     -0.446584      0.110290    0.00   0.000049615  -0.000083795  -0.000501071
 O      1.194097     -1.296656     -0.934870    0.00   0.000863443   0.002670907   0.001688117
 C      1.738718     -2.460845     -0.427933    0.00   0.000353328   0.002030050   0.000993816
 H      2.255476     -2.948966     -1.260913    0.00   0.000188104   0.000415031   0.000249174
 O      1.610760     -2.827381      0.715020    0.00  -0.000960854  -0.001430316  -0.001491345
26
 Energy =      -0.204871594867
 C     -0.604244      1.949885      0.922660    0.00   0.000932245  -0.000199668   0.001212810
 C     -1.903307      2.038704      0.113806    0.00   0.000270904   0.000237183  -0.000581444
 C     -1.923315      0.975214     -0.990598    0.00  -0.000603363  -0.000447496  -0.000868917
 C     -1.816390     -0.445715     -0.412943    0.00  -0.000359977  -0.000509348  -0.000514217
 C     -0.623237     -0.570192      0.554048    0.00   0.000160224  -0.000794332  -0.000017755
 C     -0.469786      0.580026      1.588402    0.00   0.000985150   0.000223695   0.001273854
 H     -2.853452      1.061339     -1.583444    0.00  -0.000097254  -0.000014427  -0.000138879
 H     -2.777034      1.914060      0.782076    0.00   0.000084003   0.000104969  -0.000107446
 H     -2.003747      3.046076     -0.332259    0.00  -0.000029251   0.000003786  -0.000098891
 H      0.266518      2.124437      0.256810    0.00   0.000075660  -0.000137830   0.000143840
 H     -0.570475      2.746621      1.689000    0.00   0.000121685   0.000050724   0.000179496
 H     -2.726914     -0.645274      0.216933    0.00  -0.000014669  -0.000000976  -0.000064766
 H     -1.238477      0.424528      2.370199    0.00   0.000109153   0.000143528   0.000074971
 H      0.509095      0.498818      2.106309    0.00   0.000140025  -0.000010337   0.000212744
 H     -1.091150      1.153801     -1.700425    0.00  -0.000080959  -0.000104103  -0.000047281
 O     -0.795955     -1.815576      1.192967    0.00  -0.000845776  -0.001001897  -0.000746667
 C     -1.767145     -1.497271     -1.518793    0.00  -0.000959542  -0.001029330  -0.000738020
 H     -1.759246     -2.508067     -1.086567    0.00  -0.000119011  -0.000148853  -0.000097092
 H     -2.637242     -1.424809     -2.179414    0.00  -0.000133713  -0.000054440  -0.000021648
 H     -0.865046     -1.394900     -2.134616    0.00  -0.000021918  -0.000095736  -0.000084974
 H      0.051956     -2.145961      1.606781    0.00   0.000023521  -0.000141646  -0.000021170
 O      0.753547     -0.447940      0.111701    0.00   0.000028645  -0.000146793  -0.000564552
 O      1.207745     -1.290929     -0.932921    0.00   0.000917954   0.002949478   0.001846624
 C      1.750347     -2.454705     -0.423442    0.00   0.000352912   0.002251838   0.001041697
 H      2.286863     -2.935383     -1.248029    0.00   0.000195616   0.000466005   0.000251109
 O      1.600926     -2.829174      0.714535    0.00  -0.001132264  -0.001593994  -0.001523426
26
 Energy =      -0.204420154018
 C     -0.598433      1.948022      0.916815    0.00   0.001007873  -0.000204283   0.001301780
 C     -1.903105      2.036758      0.117171    0.00   0.000349161   0.000250940  -0.000650799
 C     -1.929008      0.974704     -0.988490    0.00  -0.000576811  -0.000445634  -0.000894451
 C     -1.820765     -0.446698     -0.412574    0.00  -0.000376747  -0.000583685  -0.000568030
 C     -0.625476     -0.573099      0.551405    0.00   0.000173847  -0.000894036  -0.000053797
 C     -0.461961      0.579119      1.583737    0.00   0.001132040   0.000274326   0.001447018
 H     -2.861712      1.062306     -1.577067    0.00  -0.000096901  -0.000010432  -0.000135324
 H     -2.772064      1.909980      0.791259    0.00   0.000101516   0.000109630  -0.000117569
 H     -2.007955      3.044622     -0.326679    0.00  -0.000029984   0.000003379  -0.000113252
 H      0.267880      2.120043      0.244501    0.00   0.000074340  -0.000144683   0.000153324
 H     -0.557956      2.746055      1.681450    0.00   0.000131161   0.000050308   0.000188883
 H     -2.729633     -0.646231      0.219942    0.00  -0.000017759  -0.000005678  -0.000068300
 H     -1.224492      0.425262      2.371650    0.00   0.000131827   0.000169257   0.000083280
 H      0.520956      0.496840      2.094433    0.00   0.000161201  -0.000011133   0.000248012
 H     -1.099922      1.153360     -1.701873    0.00  -0.000076071  -0.000100692  -0.000052690
 O     -0.802230     -1.815999      1.192868    0.00  -0.000956101  -0.001065559  -0.000890597
 C     -1.775910     -1.497507     -1.519312    0.00  -0.001036097  -0.001147169  -0.000792116
 H     -1.773118     -2.508770     -1.088080    0.00  -0.000127762  -0.000163355  -0.000101520
 H     -2.645276     -1.420299     -2.180393    0.00  -0.000144448  -0.000060840  -0.000024698
 H     -0.872928     -1.398992     -2.134416    0.00  -0.000027224  -0.000108546  -0.000090227
 H      0.046212     -2.152125      1.601695    0.00   0.000023784  -0.000155137  -0.000026569
 O      0.751957     -0.449324      0.113019    0.00  -0.000007728  -0.000223091  -0.000632975
 O      1.221318     -1.285067     -0.930915    0.00   0.000961389   0.003235921   0.002002205
 C      1.761750     -2.448412     -0.418820    0.00   0.000339424   0.002470097   0.001080402
 H      2.317663     -2.921866     -1.234487    0.00   0.000200910   0.000515848   0.000249760
 O      1.591082     -2.830613      0.713809    0.00  -0.001314839  -0.001755754  -0.001541751
26
 Energy =      -0.203928892976
 C     -0.592655      1.946188      0.911104    0.00   0.001082700  -0.000204075   0.001392875
 C     -1.902800      2.034554      0.120567    0.00   0.000437375   0.000264945  -0.000720993
 C     -1.934180      0.974070     -0.986448    0.00  -0.000535078  -0.000438141  -0.000916441
 C     -1.825204     -0.447837     -0.412261    0.00  -0.000391346  -0.000667322  -0.000630721
 C     -0.627901     -0.576138      0.548820    0.00   0.000185289  -0.001002466  -0.000103418
 C     -0.453711      0.578174      1.578945    0.00   0.001292125   0.000332562   0.001639072
 H     -2.869046      1.063382     -1.571309    0.00  -0.000095460  -0.000006139  -0.000129290
 H     -2.766996      1.905308      0.800316    0.00   0.000120337   0.000113976  -0.000127783
 H     -2.012272      3.042931     -0.320911    0.00  -0.000030068   0.000002667  -0.000128099
 H      0.269175      2.116151      0.232501    0.00   0.000071684  -0.000150225   0.000163339
 H     -0.545875      2.745363      1.674160    0.00   0.000140174   0.000049818   0.000197242
 H     -2.732563     -0.647210      0.222674    0.00  -0.000021018  -0.000012310  -0.000072027
 H     -1.209426      0.425814      2.373457    0.00   0.000157532   0.000198830   0.000092367
 H      0.533569      0.494864      2.081757    0.00   0.000184479  -0.000012067   0.000288059
 H     -1.107703      1.152671     -1.702854    0.00  -0.000068302  -0.000095367  -0.000058169
 O     -0.808650     -1.816403      1.193053    0.00  -0.001061702  -0.001127539  -0.001045867
 C     -1.784655     -1.497807     -1.519971    0.00  -0.001107904  -0.001265198  -0.000835105
 H     -1.786807     -2.509553     -1.089846    0.00  -0.000136066  -0.000179012  -0.000104727
 H     -2.653320     -1.415896     -2.181442    0.00  -0.000154736  -0.000067161  -0.000025222
 H     -0.880891     -1.402965     -2.134456    0.00  -0.000032163  -0.000119801  -0.000094812
 H      0.040305     -2.158285      1.596792    0.00   0.000023770  -0.000168253  -0.000032465
 O      0.750079     -0.450712      0.114241    0.00  -0.000063195  -0.000313928  -0.000708678
 O      1.234794     -1.279057     -0.928833    0.00   0.000992163   0.003533493   0.002153274
 C      1.772867     -2.441974     -0.414080    0.00   0.000311460   0.002682756   0.001109079
 H      2.347726     -2.908455     -1.220365    0.00   0.000203637   0.000563804   0.000245075
 O      1.581252     -2.831704      0.712854    0.00  -0.001505686  -0.001913846  -0.001546564
26
 Energy =      -0.203396815797
 C     -0.586900      1.944400      0.905521    0.00   0.001154985  -0.000197643   0.001487826
 C     -1.902380      2.032102      0.123984    0.00   0.000535123   0.000279878  -0.000790354
 C     -1.938834      0.973294     -0.984461    0.00  -0.000476819  -0.000424080  -0.000935774
 C     -1.829732     -0.449150     -0.411989    0.00  -0.000404780  -0.000762085  -0.000705413
 C     -0.630546     -0.579322      0.546314    0.00   0.000193695  -0.001121679  -0.000169829
 C     -0.445008      0.577208      1.574006    0.00   0.001465795   0.000398677   0.001854368
 H     -2.875455      1.064565     -1.566176    0.00  -0.000092852  -0.000001442  -0.000120534
 H     -2.761818      1.900084      0.809241    0.00   0.000140319   0.000118151  -0.000137877
 H     -2.016674      3.040998     -0.314995    0.00  -0.000029430   0.000001544  -0.000143172
 H      0.270420      2.112803      0.220810    0.00   0.000067325  -0.000154144   0.000174078
 H     -0.534236      2.744560      1.667143    0.00   0.000148575   0.000049317   0.000204443
 H     -2.735752     -0.648255      0.225105    0.00  -0.000024573  -0.000021239  -0.000076131
 H     -1.193187      0.426205      2.375636    0.00   0.000186639   0.000232850   0.000102560
 H      0.546978      0.492914      2.068198    0.00   0.000209990  -0.000013289   0.000333772
 H     -1.114475      1.151691     -1.703360    0.00  -0.000057208  -0.000087950  -0.000063893
 O     -0.815182     -1.816824      1.193506    0.00  -0.001156516  -0.001189968  -0.001210657
 C     -1.793326     -1.498159     -1.520788    0.00  -0.001175025  -0.001383279  -0.000865388
 H     -1.800298     -2.510418     -1.091924    0.00  -0.000143784  -0.000195875  -0.000106310
 H     -2.661268     -1.411557     -2.182653    0.00  -0.000164445  -0.000073405  -0.000023002
 H     -0.888827     -1.406782     -2.134672    0.00  -0.000036934  -0.000129169  -0.000098581
 H      0.034276     -2.164419      1.592088    0.00   0.000023659  -0.000180775  -0.000038590
 O      0.747869     -0.452082      0.115370    0.00  -0.000141938  -0.000420815  -0.000794877
 O      1.248150     -1.272881     -0.926646    0.00   0.001008549   0.003846372   0.002297847
 C      1.783640     -2.435400     -0.409236    0.00   0.000267505   0.002887298   0.001126834
 H      2.376896     -2.895189     -1.205758    0.00   0.000203438   0.000608976   0.000237038
 O      1.571468     -2.832458      0.711691    0.00  -0.001701292  -0.002066227  -0.001538383
26
 Energy =      -0.202822629095
 C     -0.581158      1.942691      0.900063    0.00   0.001222263  -0.000182930   0.001588966
 C     -1.901831      2.029418      0.127409    0.00   0.000641748   0.000296845  -0.000857022
 C     -1.942967      0.972360     -0.982513    0.00  -0.000400520  -0.000402048  -0.000953530
 C     -1.834387     -0.450659     -0.411741    0.00  -0.000418149  -0.000870212  -0.000795586
 C     -0.633452     -0.582667      0.543912    0.00   0.000198122  -0.001254266  -0.000256740
 C     -0.435833      0.576240      1.568892    0.00   0.001652965   0.000472676   0.002098315
 H     -2.880924      1.065854     -1.561673    0.00  -0.000089002   0.000003800  -0.000108784
 H     -2.756522      1.894362      0.818022    0.00   0.000161303   0.000122360  -0.000147637
 H     -2.021134      3.038823     -0.308977    0.00  -0.000028049  -0.000000131  -0.000158205
 H      0.271631      2.110061      0.209438    0.00   0.000060776  -0.000156012   0.000185809
 H     -0.523052      2.743668      1.660425    0.00   0.000156162   0.000048932   0.000210306
 H     -2.739251     -0.649409      0.227212    0.00  -0.000028571  -0.000032907  -0.000080807
 H     -1.175672      0.426457      2.378196    0.00   0.000219554   0.000271927   0.000114327
 H      0.561224      0.491012      2.053663    0.00   0.000237804  -0.000015023   0.000386132
 H     -1.120211      1.150367     -1.703366    0.00  -0.000042281  -0.000078199  -0.000070061
 O     -0.821784     -1.817306      1.194205    0.00  -0.001232820  -0.001255341  -0.001382616
 C     -1.801873     -1.498549     -1.521782    0.00  -0.001237387  -0.001501472  -0.000881305
 H     -1.813561     -2.511369     -1.094377    0.00  -0.000150698  -0.000213972  -0.000105828
 H     -2.669021     -1.407252     -2.184105    0.00  -0.000173420  -0.000079625  -0.000017875
 H     -0.896633     -1.410393     -2.135012    0.00  -0.000041790  -0.000136338  -0.000101312
 H      0.028188     -2.170507      1.587594    0.00   0.000023783  -0.000192477  -0.000044494
 O      0.745282     -0.453412      0.116414    0.00  -0.000248687  -0.000545667  -0.000895833
 O      1.261367     -1.266524     -0.924321    0.00   0.001008607   0.004179590   0.002433423
 C      1.794005     -2.428705     -0.404308    0.00   0.000205896   0.003080688   0.001132763
 H      2.405001     -2.882117     -1.190784    0.00   0.000199971   0.000650314   0.000225684
 O      1.561768     -2.832890      0.710342    0.00  -0.001897580  -0.002210514  -0.001518088
26
 Energy =      -0.202204629994
 C     -0.575421      1.941104      0.894732    0.00   0.001281230  -0.000156894   0.001699385
 C     -1.901138      2.026527      0.130828    0.00   0.000756405   0.000317529  -0.000918999
 C     -1.946573      0.971254     -0.980587    0.00  -0.000304558  -0.000370159  -0.000971007
 C     -1.839205     -0.452384     -0.411500    0.00  -0.000432554  -0.000994323  -0.000904795
 C     -0.636662     -0.586186      0.541634    0.00   0.000197611  -0.001403375  -0.000368388
 C     -0.426165      0.575295      1.563569    0.00   0.001852834   0.000554197   0.002377417
 H     -2.885434      1.067257     -1.557813    0.00  -0.000083846   0.000009779  -0.000093786
 H     -2.751100      1.888202      0.826647    0.00   0.000183163   0.000126887  -0.000156878
 H     -2.025623      3.036413     -0.302915    0.00  -0.000025964  -0.000002518  -0.000172942
 H      0.272828      2.108012      0.198399    0.00   0.000051404  -0.000155242   0.000198879
 H     -0.512342      2.742710      1.654036    0.00   0.000162666   0.000048858   0.000214610
 H     -2.743121     -0.650710      0.228969    0.00  -0.000033174  -0.000047841  -0.000086244
 H     -1.156779      0.426600      2.381132    0.00   0.000256678   0.000316614   0.000128339
 H      0.576340      0.489193      2.038051    0.00   0.000267861  -0.000017591   0.000446153
 H     -1.124874      1.148645     -1.702844    0.00  -0.000022995  -0.000065845  -0.000076887
 O     -0.828402     -1.817905      1.195119    0.00  -0.001280973  -0.001326456  -0.001558883
 C     -1.810251     -1.498960     -1.522973    0.00  -0.001294615  -0.001620118  -0.000881127
 H     -1.826546     -2.512410     -1.097261    0.00  -0.000156519  -0.000233310  -0.000102822
 H     -2.676493     -1.402965     -2.185865    0.00  -0.000181463  -0.000085922  -0.000009733
 H     -0.904223     -1.413737     -2.135428    0.00  -0.000046983  -0.000141025  -0.000102743
 H      0.022123     -2.176527      1.583304    0.00   0.000024731  -0.000203198  -0.000049470
 O      0.742260     -0.454681      0.117383    0.00  -0.000388836  -0.000690897  -0.001017058
 O      1.274420     -1.259967     -0.921817    0.00   0.000990259   0.004538890   0.002556915
 C      1.803893     -2.421904     -0.399322    0.00   0.000124721   0.003259286   0.001126012
 H      2.431860     -2.869299     -1.175584    0.00   0.000192937   0.000686602   0.000211109
 O      1.552200     -2.833025      0.708833    0.00  -0.002090021  -0.002343929  -0.001487054
26
 Energy =      -0.201540551784
 C     -0.569683      1.939695      0.889527    0.00   0.001327522  -0.000115160   0.001823084
 C     -1.900286      2.023463      0.134225    0.00   0.000878268   0.000344338  -0.000974206
 C     -1.949642      0.969965     -0.978658    0.00  -0.000187395  -0.000326109  -0.000989649
 C     -1.844225     -0.454342     -0.411249    0.00  -0.000448927  -0.001137380  -0.001036197
 C     -0.640222     -0.589901      0.539506    0.00   0.000191511  -0.001572673  -0.000509431
 C     -0.415992      0.574408      1.557994    0.00   0.002063478   0.000642627   0.002699260
 H     -2.888958      1.068778     -1.554601    0.00  -0.000077354   0.000016762  -0.000075368
 H     -2.745537      1.881679      0.835101    0.00   0.000205865   0.000132110  -0.000165482
 H     -2.030118      3.033777     -0.296871    0.00  -0.000023310  -0.000005808  -0.000187202
 H      0.274030      2.106761      0.187719    0.00   0.000038395  -0.000151032   0.000213735
 H     -0.502136      2.741718      1.648021    0.00   0.000167725   0.000049391   0.000217089
 H     -2.747425     -0.652197      0.230348    0.00  -0.000038555  -0.000066633  -0.000092585
 H     -1.136417      0.426665      2.384422    0.00   0.000298365   0.000367271   0.000145546
 H      0.592343      0.487501      2.021262    0.00   0.000299894  -0.000021408   0.000514759
 H     -1.128431      1.146472     -1.701760    0.00   0.000001105  -0.000050657  -0.000084587
 O     -0.834973     -1.818686      1.196208    0.00  -0.001289155  -0.001406271  -0.001736301
 C     -1.818413     -1.499382     -1.524377    0.00  -0.001345838  -0.001739870  -0.000863168
 H     -1.839184     -2.513544     -1.100635    0.00  -0.000160900  -0.000253870  -0.000096848
 H     -2.683609     -1.398693     -2.187988    0.00  -0.000188328  -0.000092437   0.000001474
 H     -0.911513     -1.416746     -2.135887    0.00  -0.000052727  -0.000143033  -0.000102590
 H      0.016194     -2.182468      1.579184    0.00   0.000027515  -0.000213005  -0.000052410
 O      0.738745     -0.455868      0.118300    0.00  -0.000568597  -0.000859655  -0.001165526
 O      1.287283     -1.253197     -0.919088    0.00   0.000951383   0.004930523   0.002664577
 C      1.813230     -2.415022     -0.394310    0.00   0.000021814   0.003418771   0.001105806
 H      2.457280     -2.856803     -1.160322    0.00   0.000182122   0.000716466   0.000193477
 O      1.542818     -2.832893      0.707197    0.00  -0.002273876  -0.002463258  -0.001447259
26
 Energy =      -0.200827359375
 C     -0.563934      1.938537      0.884453    0.00   0.001355500  -0.000051510   0.001965154
 C     -1.899257      2.020264      0.137582    0.00   0.001006788   0.000380450  -0.001020606
 C     -1.952162      0.968482     -0.976707    0.00  -0.000047971  -0.000267501  -0.001010804
 C     -1.849486     -0.456553     -0.410973    0.00  -0.000467776  -0.001302306  -0.001191788
 C     -0.644181     -0.593830      0.537552    0.00   0.000179936  -0.001766307  -0.000684837
 C     -0.405316      0.573624      1.552121    0.00   0.002281510   0.000737552   0.003072378
 H     -2.891474      1.070431     -1.552032    0.00  -0.000069565   0.000025070  -0.000053571
 H     -2.739820      1.874867      0.843377    0.00   0.000229564   0.000138505  -0.000173412
 H     -2.034605      3.030934     -0.290910    0.00  -0.000020338  -0.000010209  -0.000200954
 H      0.275261      2.106443      0.177436    0.00   0.000020714  -0.000142289   0.000230930
 H     -0.492472      2.740734      1.642434    0.00   0.000170814   0.000050931   0.000217402
 H     -2.752223     -0.653906      0.231315    0.00  -0.000044886  -0.000089903  -0.000099861
 H     -1.114523      0.426695      2.388015    0.00   0.000344845   0.000423848   0.000167289
 H      0.609218      0.485987      2.003218    0.00   0.000333273  -0.000026929   0.000592539
 H     -1.130849      1.143799     -1.700081    0.00   0.000030270  -0.000032535  -0.000093333
 O     -0.841414     -1.819726      1.197427    0.00  -0.001243031  -0.001497623  -0.001911682
 C     -1.826310     -1.499807     -1.526011    0.00  -0.001389519  -0.001861823  -0.000825852
 H     -1.851396     -2.514778     -1.104547    0.00  -0.000163475  -0.000275599  -0.000087548
 H     -2.690299     -1.394450     -2.190520    0.00  -0.000193727  -0.000099358   0.000015704
 H     -0.918430     -1.419355     -2.136363    0.00  -0.000059136  -0.000142302  -0.000100577
 H      0.010545     -2.188339      1.575160    0.00   0.000033830  -0.000222510  -0.000051626
 O      0.734674     -0.456957      0.119185    0.00  -0.000795419  -0.001056175  -0.001350159
 O      1.299925     -1.246204     -0.916085    0.00   0.000890250   0.005360905   0.002752058
 C      1.821939     -2.408087     -0.389310    0.00  -0.000105273   0.003554015   0.001071584
 H      2.481057     -2.844714     -1.145184    0.00   0.000167477   0.000738378   0.000173003
 O      1.533685     -2.832526      0.705476    0.00  -0.002444655  -0.002564777  -0.001401429
26
 Energy =      -0.200060994765
 C     -0.558169      1.937720      0.879519    0.00   0.001357955   0.000042614   0.002131742
 C     -1.898031      2.016979      0.140888    0.00   0.001142045   0.000429611  -0.001056379
 C     -1.954129      0.966806     -0.974708    0.00   0.000113628  -0.000192439  -0.001035283
 C     -1.855013     -0.459029     -0.410664    0.00  -0.000489065  -0.001491675  -0.001371266
 C     -0.648578     -0.598000      0.535794    0.00   0.000165057  -0.001988857  -0.000899215
 C     -0.394152      0.573001      1.545898    0.00   0.002501808   0.000840536   0.003506031
 H     -2.892970      1.072224     -1.550085    0.00  -0.000060626   0.000035078  -0.000028775
 H     -2.733929      1.867844      0.851467    0.00   0.000254673   0.000146601  -0.000180751
 H     -2.039073      3.027907     -0.285095    0.00  -0.000017409  -0.000015938  -0.000214376
 H      0.276550      2.107219      0.167601    0.00  -0.000002962  -0.000127564   0.000251144
 H     -0.483396      2.739811      1.637340    0.00   0.000171145   0.000053977   0.000215164
 H     -2.757569     -0.655861      0.231830    0.00  -0.000052334  -0.000118214  -0.000107915
 H     -1.091085      0.426729      2.391815    0.00   0.000396083   0.000485433   0.000195456
 H      0.626913      0.484715      1.983887    0.00   0.000366785  -0.000034416   0.000679302
 H     -1.132117      1.140596     -1.697790    0.00   0.000064324  -0.000011682  -0.000103209
 O     -0.847633     -1.821110      1.198727    0.00  -0.001125329  -0.001602793  -0.002082382
 C     -1.833895     -1.500234     -1.527891    0.00  -0.001423379  -0.001987615  -0.000767853
 H     -1.863089     -2.516119     -1.109029    0.00  -0.000163894  -0.000298372  -0.000074712
 H     -2.696506     -1.390269     -2.193490    0.00  -0.000197322  -0.000106915   0.000032781
 H     -0.924909     -1.421508     -2.136844    0.00  -0.000066172  -0.000139021  -0.000096482
 H      0.005353     -2.194188      1.571088    0.00   0.000046426  -0.000233316  -0.000044572
 O      0.729976     -0.457934      0.120070    0.00  -0.001079123  -0.001286401  -0.001583025
 O      1.312308     -1.238987     -0.912756    0.00   0.000806553   0.005835951   0.002814479
 C      1.829937     -2.401136     -0.384371    0.00  -0.000259146   0.003658924   0.001023219
 H      2.502983     -2.833135     -1.130377    0.00   0.000149226   0.000750692   0.000149908
 O      1.524867     -2.831961      0.703711    0.00  -0.002598947  -0.002644200  -0.001353030
26
 Energy =      -0.199236082493
 C     -0.552376      1.937354      0.874743    0.00   0.001325752   0.000178497   0.002329629
 C     -1.896587      2.013658      0.144129    0.00   0.001284877   0.000495409  -0.001080254
 C     -1.955540      0.964944     -0.972643    0.00   0.000294913  -0.000100632  -0.001062565
 C     -1.860815     -0.461773     -0.410327    0.00  -0.000512399  -0.001707321  -0.001570638
 C     -0.653442     -0.602442      0.534247    0.00   0.000153911  -0.002245843  -0.001154949
 C     -0.382525      0.572618      1.539289    0.00   0.002717981   0.000959908   0.004010160
 H     -2.893461      1.074164     -1.548712    0.00  -0.000050897   0.000047112  -0.000001776
 H     -2.727838      1.860674      0.859374    0.00   0.000281821   0.000156875  -0.000187646
 H     -2.043529      3.024725     -0.279477    0.00  -0.000014922  -0.000023173  -0.000227889
 H      0.277931      2.109278      0.158283    0.00  -0.000034343  -0.000105094   0.000275175
 H     -0.474967      2.739021      1.632812    0.00   0.000167451   0.000059065   0.000210042
 H     -2.763493     -0.658080      0.231849    0.00  -0.000061072  -0.000151905  -0.000116284
 H     -1.066186      0.426809      2.395670    0.00   0.000451577   0.000549274   0.000232720
 H      0.645313      0.483766      1.963330    0.00   0.000398221  -0.000043290   0.000773158
 H     -1.132263      1.136855     -1.694895    0.00   0.000102413   0.000011255  -0.000114092
 O     -0.853521     -1.822931      1.200060    0.00  -0.000915256  -0.001722701  -0.002246895
 C     -1.841117     -1.500667     -1.530026    0.00  -0.001444314  -0.002119697  -0.000688202
 H     -1.874167     -2.517572     -1.114087    0.00  -0.000161895  -0.000321937  -0.000058371
 H     -2.702185     -1.386196     -2.196908    0.00  -0.000198664  -0.000115448   0.000052386
 H     -0.930897     -1.423171     -2.137330    0.00  -0.000073582  -0.000133692  -0.000090178
 H      0.000830     -2.200133      1.566722    0.00   0.000069584  -0.000248653  -0.000027591
 O      0.724569     -0.458786      0.120991    0.00  -0.001435149  -0.001558846  -0.001882519
 O      1.324389     -1.231563     -0.909059    0.00   0.000703793   0.006359735   0.002846649
 C      1.837141     -2.394215     -0.379551    0.00  -0.000442059   0.003726087   0.000961536
 H      2.522857     -2.822189     -1.116116    0.00   0.000128102   0.000751676   0.000124290
 O      1.516432     -2.831233      0.701958    0.00  -0.002735843  -0.002696660  -0.001305896
26
 Energy =      -0.198345599404
 C     -0.546547      1.937560      0.870150    0.00   0.001247491   0.000369858   0.002564652
 C     -1.894909      2.010351      0.147293    0.00   0.001436217   0.000579655  -0.001092186
 C     -1.956411      0.962923     -0.970508    0.00   0.000488935   0.000005007  -0.001089578
 C     -1.866874     -0.464772     -0.409981    0.00  -0.000538422  -0.001950827  -0.001780838
 C     -0.658766     -0.607202      0.532908    0.00   0.000165104  -0.002546303  -0.001446926
 C     -0.370461      0.572575      1.532284    0.00   0.002924342   0.001122117   0.004596143
 H     -2.893005      1.076257     -1.547840    0.00  -0.000041113   0.000061284   0.000026361
 H     -2.721526      1.853420      0.867098    0.00   0.000311442   0.000169489  -0.000194101
 H     -2.047987      3.021420     -0.274095    0.00  -0.000013068  -0.000031934  -0.000241932
 H      0.279432      2.112824      0.149560    0.00  -0.000075628  -0.000073126   0.000303885
 H     -0.467264      2.738466      1.628919    0.00   0.000157577   0.000066599   0.000202097
 H     -2.769995     -0.660551      0.231327    0.00  -0.000071351  -0.000190835  -0.000124111
 H     -1.040059      0.426951      2.399334    0.00   0.000510043   0.000608727   0.000282607
 H      0.664240      0.483257      1.941789    0.00   0.000423646  -0.000050471   0.000868813
 H     -1.131363      1.132614     -1.691448    0.00   0.000142747   0.000035131  -0.000125526
 O     -0.858958     -1.825285      1.201383    0.00  -0.000587854  -0.001855498  -0.002405553
 C     -1.847929     -1.501119     -1.532422    0.00  -0.001448458  -0.002261720  -0.000586337
 H     -1.884535     -2.519141     -1.119694    0.00  -0.000157320  -0.000345748  -0.000038878
 H     -2.707301     -1.382303     -2.200770    0.00  -0.000196948  -0.000125583   0.000074115
 H     -0.936352     -1.424343     -2.137835    0.00  -0.000080830  -0.000127070  -0.000081698
 H     -0.002778     -2.206389      1.561681    0.00   0.000109629  -0.000274030   0.000004295
 O      0.718351     -0.459501      0.122001    0.00  -0.001893083  -0.001884494  -0.002281274
 O      1.336125     -1.223978     -0.904961    0.00   0.000594970   0.006930925   0.002843834
 C      1.843472     -2.387376     -0.374919    0.00  -0.000654907   0.003746020   0.000889618
 H      2.540495     -2.812037     -1.102610    0.00   0.000105864   0.000739588   0.000095811
 O      1.508445     -2.830372      0.700271    0.00  -0.002859024  -0.002716763  -0.001263293
26
 Energy =      -0.197380425533
 C     -0.540685      1.938469      0.865782    0.00   0.001109365   0.000630606   0.002837837
 C     -1.892993      2.007105      0.150368    0.00   0.001594850   0.000679495  -0.001094191
 C     -1.956781      0.960786     -0.968323    0.00   0.000681412   0.000116839  -0.001109159
 C     -1.873152     -0.467991     -0.409668    0.00  -0.000572699  -0.002226025  -0.001986981
 C     -0.664482     -0.612363      0.531724    0.00   0.000242451  -0.002911426  -0.001751674
 C     -0.357935      0.573021      1.524938    0.00   0.003119802   0.001393271   0.005279261
 H     -2.891708      1.078509     -1.547383    0.00  -0.000032574   0.000077273   0.000054756
 H     -2.715000      1.846145      0.874617    0.00   0.000342700   0.000183804  -0.000199565
 H     -2.052443      3.018029     -0.268981    0.00  -0.000011412  -0.000041835  -0.000256316
 H      0.281061      2.118059      0.141514    0.00  -0.000129495  -0.000030907   0.000337923
 H     -0.460388      2.738294      1.625703    0.00   0.000137864   0.000076494   0.000192581
 H     -2.777028     -0.663227      0.230233    0.00  -0.000083816  -0.000234035  -0.000130116
 H     -1.013192      0.427101      2.402415    0.00   0.000569068   0.000649722   0.000348470
 H      0.683431      0.483373      1.919835    0.00   0.000436315  -0.000046884   0.000954997
 H     -1.129559      1.127969     -1.687557    0.00   0.000182451   0.000058412  -0.000136573
 O     -0.863810     -1.828270      1.202666    0.00  -0.000113887  -0.001994110  -0.002560607
 C     -1.854287     -1.501612     -1.535081    0.00  -0.001431323  -0.002418378  -0.000462222
 H     -1.894106     -2.520822     -1.125775    0.00  -0.000150045  -0.000368647  -0.000016965
 H     -2.711832     -1.378694     -2.205062    0.00  -0.000190485  -0.000138560   0.000097669
 H     -0.941245     -1.425057     -2.138380    0.00  -0.000087053  -0.000119807  -0.000071314
 H     -0.005210     -2.213300      1.555434    0.00   0.000174964  -0.000317487   0.000057172
 O      0.711172     -0.460045      0.123194    0.00  -0.002516118  -0.002270619  -0.002842432
 O      1.347477     -1.216329     -0.900459    0.00   0.000515147   0.007532834   0.002805215
 C      1.848870     -2.380687     -0.370564    0.00  -0.000895044   0.003705954   0.000815227
 H      2.555765     -2.802896     -1.090035    0.00   0.000086515   0.000712968   0.000062988
 O      1.500958     -2.829392      0.698704    0.00  -0.002978953  -0.002698955  -0.001225982
26
 Energy =      -0.196328256985
 C     -0.534821      1.940192      0.861701    0.00   0.000896747   0.000967739   0.003137883
 C     -1.890870      2.003957      0.153332    0.00   0.001753142   0.000783838  -0.001090546
 C     -1.956729      0.958611     -0.966145    0.00   0.000848635   0.000222627  -0.001108906
 C     -1.879595     -0.471353     -0.409461    0.00  -0.000632144  -0.002542988  -0.002168744
 C     -0.670432     -0.618086      0.530528    0.00   0.000475932  -0.003396878  -0.002012292
 C     -0.344826      0.574180      1.517438    0.00   0.003310772   0.001908305   0.006082349
 H     -2.889736      1.080934     -1.547263    0.00  -0.000027210   0.000094149   0.000083120
 H     -2.708345      1.838965      0.881860    0.00   0.000371791   0.000197726  -0.000202365
 H     -2.056846      3.014600     -0.264178    0.00  -0.000008424  -0.000051711  -0.000269119
 H      0.282767      2.125128      0.134198    0.00  -0.000198376   0.000019454   0.000376930
 H     -0.454468      2.738723      1.623131    0.00   0.000102608   0.000087640   0.000185061
 H     -2.784492     -0.666003      0.228558    0.00  -0.000100261  -0.000279514  -0.000132656
 H     -0.986466      0.427032      2.404314    0.00   0.000625040   0.000646648   0.000429015
 H      0.702554      0.484446      1.898569    0.00   0.000425696  -0.000011967   0.001012177
 H     -1.127055      1.123084     -1.683386    0.00   0.000217553   0.000079414  -0.000145722
 O     -0.867933     -1.831961      1.203896    0.00   0.000536164  -0.002121927  -0.002713905
 C     -1.860149     -1.502173     -1.537990    0.00  -0.001388232  -0.002592000  -0.000317245
 H     -1.902782     -2.522597     -1.132185    0.00  -0.000139786  -0.000388348   0.000006218
 H     -2.715752     -1.375523     -2.209772    0.00  -0.000176226  -0.000156316   0.000123045
 H     -0.945547     -1.425384     -2.138977    0.00  -0.000091093  -0.000111697  -0.000059664
 H     -0.006215     -2.221326      1.547337    0.00   0.000274303  -0.000388495   0.000137410
 O      0.702796     -0.460332      0.124749    0.00  -0.003435146  -0.002697147  -0.003683766
 O      1.358417     -1.208820     -0.895624    0.00   0.000545438   0.008110143   0.002745323
 C      1.853295     -2.374231     -0.366603    0.00  -0.001152878   0.003588399   0.000754983
 H      2.568611     -2.795092     -1.078489    0.00   0.000078681   0.000671378   0.000021773
 O      1.494019     -2.828288      0.697306    0.00  -0.003112727  -0.002638469  -0.001190360
26
 Energy =      -0.195169974182
 C     -0.529053      1.942772      0.858000    0.00   0.000602558   0.001365406   0.003430099
 C     -1.888621      2.000956      0.156143    0.00   0.001892014   0.000871334  -0.001085374
 C     -1.956361      0.956515     -0.964066    0.00   0.000960340   0.000309695  -0.001073130
 C     -1.886136     -0.474736     -0.409465    0.00  -0.000747867  -0.002915580  -0.002301386
 C     -0.676339     -0.624669      0.528960    0.00   0.001015052  -0.004132805  -0.002136759
 C     -0.330880      0.576376      1.510162    0.00   0.003502618   0.002880927   0.007032064
 H     -2.887308      1.083545     -1.547426    0.00  -0.000026778   0.000110242   0.000111085
 H     -2.701778      1.832101      0.888658    0.00   0.000390662   0.000207353  -0.000199582
 H     -2.061035      3.011219     -0.259776    0.00  -0.000001698  -0.000059271  -0.000275718
 H      0.284402      2.133984      0.127620    0.00  -0.000281903   0.000070850   0.000417909
 H     -0.449668      2.740045      1.621055    0.00   0.000045265   0.000097442   0.000185461
 H     -2.792233     -0.668679      0.226338    0.00  -0.000124451  -0.000324271  -0.000129942
 H     -0.961291      0.426216      2.404219    0.00   0.000674512   0.000562563   0.000509374
 H      0.721198      0.487029      1.879819    0.00   0.000378286   0.000090039   0.001014434
 H     -1.124120      1.118209     -1.679165    0.00   0.000243180   0.000096395  -0.000150932
 O     -0.871176     -1.836377      1.205080    0.00   0.001372511  -0.002206474  -0.002855256
 C     -1.865461     -1.502823     -1.541102    0.00  -0.001315475  -0.002770180  -0.000157379
 H     -1.910445     -2.524428     -1.138693    0.00  -0.000126036  -0.000401035   0.000029041
 H     -2.719017     -1.373002     -2.214872    0.00  -0.000150626  -0.000180117   0.000150029
 H     -0.949206     -1.425414     -2.139601    0.00  -0.000091667  -0.000101158  -0.000047901
 H     -0.005581     -2.230917      1.536792    0.00   0.000410687  -0.000493507   0.000249890
 O      0.692905     -0.460132      0.127018    0.00  -0.004877173  -0.003063328  -0.004986325
 O      1.368932     -1.201831     -0.890675    0.00   0.000841795   0.008529569   0.002717267
 C      1.856751     -2.368130     -0.363199    0.00  -0.001407907   0.003372125   0.000739678
 H      2.579110     -2.789140     -1.067932    0.00   0.000098209   0.000617091  -0.000036037
 O      1.487669     -2.827041      0.696114    0.00  -0.003276108  -0.002533305  -0.001150612
26
 Energy =      -0.193870754624
 C     -0.523596      1.946083      0.854797    0.00   0.000248952   0.001762441   0.003648926
 C     -1.886398      1.998177      0.158716    0.00   0.001979770   0.000915265  -0.001076564
 C     -1.955813      0.954646     -0.962207    0.00   0.000992674   0.000372126  -0.000991481
 C     -1.892666     -0.477943     -0.409785    0.00  -0.000947006  -0.003331411  -0.002357407
 C     -0.681870     -0.632543      0.526455    0.00   0.002021317  -0.005336825  -0.002049759
 C     -0.315868      0.579984      1.503730    0.00   0.003669260   0.004516941   0.008120297
 H     -2.884699      1.086293     -1.547828    0.00  -0.000030917   0.000122770   0.000135997
 H     -2.695693      1.825924      0.894723    0.00   0.000388930   0.000207960  -0.000188506
 H     -2.064738      3.008030     -0.255929    0.00   0.000010060  -0.000061439  -0.000269856
 H      0.285733      2.144195      0.121759    0.00  -0.000371733   0.000111762   0.000453606
 H     -0.446145      2.742499      1.619229    0.00  -0.000034897   0.000102270   0.000197621
 H     -2.800023     -0.670965      0.223681    0.00  -0.000160120  -0.000363876  -0.000120812
 H     -0.939524      0.423775      2.401268    0.00   0.000718997   0.000363489   0.000560828
 H      0.738852      0.491850      1.865955    0.00   0.000283069   0.000297991   0.000940926
 H     -1.121068      1.113668     -1.675180    0.00   0.000254588   0.000107379  -0.000149938
 O     -0.873407     -1.841370      1.206213    0.00   0.002333256  -0.002197202  -0.002933858
 C     -1.870130     -1.503553     -1.544292    0.00  -0.001212587  -0.002906259   0.000000859
 H     -1.916927     -2.526241     -1.144954    0.00  -0.000108525  -0.000402041   0.000049396
 H     -2.721566     -1.371319     -2.220238    0.00  -0.000113511  -0.000206662   0.000176309
 H     -0.952145     -1.425237     -2.140180    0.00  -0.000087682  -0.000086101  -0.000037470
 H     -0.003196     -2.242185      1.523597    0.00   0.000572463  -0.000625335   0.000394501
 O      0.681258     -0.459019      0.130543    0.00  -0.007096308  -0.003135335  -0.006911704
 O      1.378976     -1.195981     -0.886092    0.00   0.001615610   0.008560267   0.002825925
 C      1.859300     -2.362548     -0.360563    0.00  -0.001626844   0.003041745   0.000814283
 H      2.587512     -2.785723     -1.058157    0.00   0.000164443   0.000557162  -0.000121051
 O      1.481975     -2.825651      0.695154    0.00  -0.003463258  -0.002387082  -0.001111067
26
 Energy =      -0.192373911841
 C     -0.518752      1.949762      0.852192    0.00  -0.000095728   0.002055816   0.003717078
 C     -1.884392      1.995722      0.160945    0.00   0.001984236   0.000899241  -0.001052599
 C     -1.955216      0.953135     -0.960665    0.00   0.000946430   0.000412565  -0.000870716
 C     -1.898954     -0.480745     -0.410454    0.00  -0.001209757  -0.003703458  -0.002315656
 C     -0.686798     -0.642032      0.522505    0.00   0.003495665  -0.007135346  -0.001789134
 C     -0.299941      0.585189      1.498789    0.00   0.003741738   0.006751358   0.009221656
 H     -2.882216      1.089001     -1.548391    0.00  -0.000036179   0.000128052   0.000152461
 H     -2.690541      1.820835      0.899740    0.00   0.000361157   0.000197095  -0.000169175
 H     -2.067664      3.005223     -0.252795    0.00   0.000024490  -0.000056404  -0.000248483
 H      0.286560      2.154821      0.116613    0.00  -0.000448888   0.000132977   0.000474298
 H     -0.443926      2.746011      1.617448    0.00  -0.000122959   0.000099789   0.000215582
 H     -2.807523     -0.672585      0.220800    0.00  -0.000204013  -0.000391598  -0.000106158
 H     -0.922718      0.418870      2.395032    0.00   0.000768251   0.000052371   0.000570910
 H      0.754931      0.499379      1.858829    0.00   0.000142225   0.000610811   0.000795015
 H     -1.118228      1.109780     -1.671722    0.00   0.000249967   0.000110639  -0.000141271
 O     -0.874598     -1.846534      1.207248    0.00   0.003235993  -0.002049835  -0.002847410
 C     -1.874034     -1.504301     -1.547321    0.00  -0.001084825  -0.002925994   0.000130456
 H     -1.922088     -2.527930     -1.150576    0.00  -0.000088116  -0.000388567   0.000065168
 H     -2.723374     -1.370488     -2.225539    0.00  -0.000072035  -0.000226136   0.000196221
 H     -0.954307     -1.424953     -2.140627    0.00  -0.000078595  -0.000066486  -0.000029098
 H      0.000901     -2.254527      1.508357    0.00   0.000733822  -0.000751453   0.000561084
 O      0.668037     -0.456510      0.135811    0.00  -0.010088734  -0.002636958  -0.009368728
 O      1.388433     -1.191953     -0.882534    0.00   0.002966114   0.007979914   0.003159660
 C      1.861090     -2.357670     -0.358872    0.00  -0.001772873   0.002609586   0.001014247
 H      2.594229     -2.785350     -1.048882    0.00   0.000281511   0.000502527  -0.000235643
 O      1.477022     -2.824183      0.694452    0.00  -0.003628899  -0.002210506  -0.001099764
26
 Energy =      -0.190624650714
 C     -0.514721      1.953353      0.850175    0.00  -0.000354634   0.002166808   0.003597518
 C     -1.882725      1.993661      0.162773    0.00   0.001895596   0.000830355  -0.001001264
 C     -1.954654      0.952014     -0.959458    0.00   0.000847796   0.000434241  -0.000732259
 C     -1.904726     -0.483000     -0.411371    0.00  -0.001462292  -0.003901293  -0.002176740
 C     -0.691150     -0.653027      0.517075    0.00   0.005142158  -0.009252155  -0.001497956
 C     -0.283718      0.591710      1.495559    0.00   0.003677977   0.009071693   0.010095939
 H     -2.880065      1.091449     -1.549011    0.00  -0.000038679   0.000124207   0.000156809
 H     -2.686538      1.816995      0.903612    0.00   0.000312886   0.000176890  -0.000144702
 H     -2.069733      3.002922     -0.250398    0.00   0.000036967  -0.000045773  -0.000215555
 H      0.286878      2.164853      0.112175    0.00  -0.000494028   0.000134842   0.000473487
 H     -0.442780      2.750098      1.615691    0.00  -0.000193952   0.000091255   0.000226048
 H     -2.814415     -0.673477      0.217949    0.00  -0.000243969  -0.000401016  -0.000088942
 H     -0.911015      0.411364      2.385878    0.00   0.000825827  -0.000309626   0.000559632
 H      0.769070      0.509349      1.858389    0.00  -0.000022198   0.000959630   0.000608697
 H     -1.115805      1.106683     -1.668946    0.00   0.000232340   0.000106169  -0.000125816
 O     -0.874898     -1.851367      1.208099    0.00   0.003866238  -0.001770960  -0.002517996
 C     -1.877135     -1.504989     -1.549970    0.00  -0.000941499  -0.002786357   0.000211183
 H     -1.925984     -2.529418     -1.155332    0.00  -0.000066903  -0.000362149   0.000075282
 H     -2.724534     -1.370275     -2.230381    0.00  -0.000036478  -0.000229302   0.000204235
 H     -0.955748     -1.424645     -2.140909    0.00  -0.000065157  -0.000045335  -0.000022227
 H      0.006527     -2.266868      1.492258    0.00   0.000869356  -0.000828164   0.000729847
 O      0.653928     -0.452420      0.142871    0.00  -0.013347757  -0.001520771  -0.011881547
 O      1.397178     -1.190038     -0.880434    0.00   0.004675028   0.006788648   0.003657962
 C      1.862345     -2.353553     -0.358131    0.00  -0.001828969   0.002124155   0.001319023
 H      2.599770     -2.787831     -1.039880    0.00   0.000423434   0.000460566  -0.000363030
 O      1.472809     -2.822753      0.694006    0.00  -0.003709085  -0.002016557  -0.001147628
26
 Energy =      -0.188621344054
 C     -0.511469      1.956584      0.848624    0.00  -0.000498101   0.002092161   0.003310224
 C     -1.881390      1.991965      0.164238    0.00   0.001728884   0.000728891  -0.000919006
 C     -1.954155      0.951215     -0.958522    0.00   0.000725599   0.000435968  -0.000594791
 C     -1.909866     -0.484724     -0.412389    0.00  -0.001631295  -0.003850802  -0.001960137
 C     -0.695118     -0.665106      0.510564    0.00   0.006536667  -0.011106133  -0.001290153
 C     -0.267772      0.599000      1.493731    0.00   0.003501795   0.010824355   0.010523059
 H     -2.878288      1.093531     -1.549617    0.00  -0.000037160   0.000112641   0.000149895
 H     -2.683555      1.814230      0.906513    0.00   0.000255280   0.000151673  -0.000118684
 H     -2.071099      3.001103     -0.248604    0.00   0.000044441  -0.000033155  -0.000178021
 H      0.286836      2.173791      0.108369    0.00  -0.000500028   0.000124144   0.000450460
 H     -0.442337      2.754232      1.614037    0.00  -0.000232500   0.000079811   0.000220769
 H     -2.820582     -0.673791      0.215286    0.00  -0.000268319  -0.000390057  -0.000071842
 H     -0.903246      0.401819      2.374612    0.00   0.000875558  -0.000637415   0.000545767
 H      0.781358      0.521023      1.863030    0.00  -0.000178715   0.001253838   0.000419701
 H     -1.113813      1.104278     -1.666799    0.00   0.000206748   0.000095855  -0.000106262
 O     -0.874558     -1.855586      1.208708    0.00   0.004126617  -0.001414817  -0.001967668
 C     -1.879542     -1.505580     -1.552168    0.00  -0.000790814  -0.002506548   0.000243034
 H     -1.928879     -2.530703     -1.159276    0.00  -0.000047036  -0.000326660   0.000079746
 H     -2.725229     -1.370379     -2.234574    0.00  -0.000012080  -0.000214876   0.000198989
 H     -0.956631     -1.424362     -2.141056    0.00  -0.000049465  -0.000026234  -0.000015956
 H      0.013524     -2.278451      1.476207    0.00   0.000962818  -0.000832505   0.000879061
 O      0.639617     -0.446933      0.151372    0.00  -0.016113430  -0.000037782  -0.013846186
 O      1.405219     -1.189994     -0.879758    0.00   0.006306574   0.005218662   0.004126232
 C      1.863281     -2.350075     -0.358175    0.00  -0.001802741   0.001640822   0.001650776
 H      2.604592     -2.792415     -1.030994    0.00   0.000550940   0.000429687  -0.000475765
 O      1.469194     -2.821439      0.693797    0.00  -0.003660237  -0.001811525  -0.001253242
26
 Energy =      -0.186441332196
 C     -0.508836      1.959398      0.847395    0.00  -0.000539558   0.001875262   0.002897423
 C     -1.880319      1.990560      0.165425    0.00   0.001505711   0.000611788  -0.000808896
 C     -1.953717      0.950642     -0.957783    0.00   0.000596890   0.000415202  -0.000466691
 C     -1.914408     -0.486015     -0.413409    0.00  -0.001677169  -0.003555652  -0.001687872
 C     -0.698898     -0.677868      0.503421    0.00   0.007356514  -0.012175833  -0.001187739
 C     -0.252360      0.606589      1.492823    0.00   0.003247074   0.011578652   0.010372409
 H     -2.876826      1.095266     -1.550184    0.00  -0.000032529   0.000096097   0.000134637
 H     -2.681338      1.812255      0.908706    0.00   0.000197275   0.000124761  -0.000093478
 H     -2.071976      2.999664     -0.247238    0.00   0.000046273  -0.000021456  -0.000140811
 H      0.286593      2.181617      0.105072    0.00  -0.000470118   0.000107055   0.000407773
 H     -0.442285      2.758120      1.612551    0.00  -0.000237827   0.000067602   0.000199940
 H     -2.826093     -0.673724      0.212849    0.00  -0.000271831  -0.000360221  -0.000055975
 H     -0.898011      0.390941      2.361925    0.00   0.000891913  -0.000865671   0.000528340
 H      0.792119      0.533750      1.871030    0.00  -0.000300941   0.001429664   0.000253314
 H     -1.112163      1.102388     -1.665142    0.00   0.000176861   0.000082018  -0.000085185
 O     -0.873786     -1.859154      1.209060    0.00   0.004035831  -0.001041344  -0.001291437
 C     -1.881426     -1.506075     -1.553967    0.00  -0.000638383  -0.002133943   0.000238011
 H     -1.931071     -2.531827     -1.162596    0.00  -0.000029988  -0.000285012   0.000078786
 H     -2.725622     -1.370592     -2.238138    0.00   0.000001621  -0.000187190   0.000182233
 H     -0.957126     -1.424126     -2.141123    0.00  -0.000033917  -0.000011290  -0.000009901
 H      0.021882     -2.289063      1.460510    0.00   0.001003271  -0.000767236   0.000988635
 O      0.625475     -0.440336      0.160924    0.00  -0.017746827   0.001456648  -0.014809557
 O      1.412663     -1.191393     -0.880232    0.00   0.007456604   0.003554110   0.004370433
 C      1.864050     -2.347045     -0.358809    0.00  -0.001706569   0.001196991   0.001916403
 H      2.609006     -2.798350     -1.022097    0.00   0.000633694   0.000402331  -0.000550481
 O      1.465990     -2.820270      0.693798    0.00  -0.003463874  -0.001593334  -0.001380316
26
 Energy =      -0.184226962171
 C     -0.506665      1.961839      0.846386    0.00  -0.000505906   0.001565005   0.002397503
 C     -1.879442      1.989373      0.166411    0.00   0.001243304   0.000488645  -0.000675755
 C     -1.953328      0.950223     -0.957177    0.00   0.000468987   0.000370983  -0.000349864
 C     -1.918447     -0.486975     -0.414380    0.00  -0.001587332  -0.003058474  -0.001377081
 C     -0.702624     -0.691046      0.495978    0.00   0.007429286  -0.012145705  -0.001147637
 C     -0.237526      0.614171      1.492439    0.00   0.002914982   0.011177471   0.009583191
 H     -2.875604      1.096718     -1.550712    0.00  -0.000026202   0.000076973   0.000113645
 H     -2.679656      1.810831      0.910408    0.00   0.000143907   0.000097882  -0.000070224
 H     -2.072536      2.998505     -0.246166    0.00   0.000043076  -0.000012140  -0.000106235
 H      0.286252      2.188500      0.102167    0.00  -0.000411048   0.000087040   0.000348645
 H     -0.442434      2.761661      1.611247    0.00  -0.000216424   0.000055299   0.000167665
 H     -2.831069     -0.673419      0.210613    0.00  -0.000253957  -0.000313968  -0.000041487
 H     -0.894246      0.379297      2.348273    0.00   0.000853053  -0.000959418   0.000493641
 H      0.801676      0.547121      1.881164    0.00  -0.000371047   0.001455110   0.000122453
 H     -1.110765      1.100858     -1.663840    0.00   0.000144485   0.000066445  -0.000064374
 O     -0.872713     -1.862142      1.209156    0.00   0.003655903  -0.000692969  -0.000606041
 C     -1.882927     -1.506492     -1.555450    0.00  -0.000488705  -0.001712060   0.000209222
 H     -1.932789     -2.532837     -1.165470    0.00  -0.000016614  -0.000238356   0.000072487
 H     -2.725825     -1.370810     -2.241180    0.00   0.000007341  -0.000151596   0.000156406
 H     -0.957352     -1.423931     -2.141152    0.00  -0.000020463  -0.000001196  -0.000004326
 H      0.031732     -2.298779      1.445119    0.00   0.000978015  -0.000649328   0.001037791
 O      0.611640     -0.432866      0.171243    0.00  -0.017831618   0.002639137  -0.014515353
 O      1.419629     -1.193867     -0.881574    0.00   0.007849816   0.002028414   0.004266001
 C      1.864735     -2.344302     -0.359891    0.00  -0.001545359   0.000812982   0.002032104
 H      2.613198     -2.805116     -1.013086    0.00   0.000654801   0.000369117  -0.000571735
 O      1.463036     -2.819241      0.693992    0.00  -0.003112279  -0.001355294  -0.001470640
26
 Energy =      -0.182159702986
 C     -0.504836      1.963972      0.845532    0.00  -0.000421141   0.001199546   0.001839534
 C     -1.878705      1.988346      0.167250    0.00   0.000953460   0.000364088  -0.000524212
 C     -1.952977      0.949907     -0.956669    0.00   0.000344497   0.000304461  -0.000244052
 C     -1.922073     -0.487682     -0.415285    0.00  -0.001364278  -0.002411303  -0.001040597
 C     -0.706375     -0.704472      0.488454    0.00   0.006695469  -0.010878640  -0.001093562
 C     -0.223234      0.621563      1.492305    0.00   0.002472610   0.009653113   0.008138331
 H     -2.874562      1.097948     -1.551206    0.00  -0.000019294   0.000056943   0.000088710
 H     -2.678351      1.809787      0.911770    0.00   0.000097443   0.000071734  -0.000049342
 H     -2.072890      2.997552     -0.245297    0.00   0.000035835  -0.000005633  -0.000075050
 H      0.285875      2.194621      0.099566    0.00  -0.000329545   0.000065676   0.000276058
 H     -0.442677      2.764850      1.610110    0.00  -0.000176153   0.000042857   0.000128307
 H     -2.835625     -0.672967      0.208539    0.00  -0.000216216  -0.000253502  -0.000028253
 H     -0.891252      0.367291      2.333963    0.00   0.000745471  -0.000908879   0.000423935
 H      0.810260      0.560903      1.892648    0.00  -0.000377473   0.001320277   0.000032615
 H     -1.109543      1.099582     -1.662798    0.00   0.000110338   0.000050215  -0.000044952
 O     -0.871413     -1.864643      1.209006    0.00   0.003052428  -0.000391511  -0.000026369
 C     -1.884152     -1.506851     -1.556691    0.00  -0.000346169  -0.001271959   0.000166811
 H     -1.934189     -2.533766     -1.168030    0.00  -0.000007259  -0.000186649   0.000060943
 H     -2.725908     -1.370991     -2.243804    0.00   0.000007975  -0.000112481   0.000123620
 H     -0.957392     -1.423769     -2.141175    0.00  -0.000010356   0.000004175   0.000000030
 H      0.043308     -2.307771      1.429843    0.00   0.000866876  -0.000502972   0.001001267
 O      0.598150     -0.424689      0.182144    0.00  -0.016137745   0.003246948  -0.012859141
 O      1.426204     -1.197153     -0.883563    0.00   0.007331246   0.000812401   0.003759578
 C      1.865380     -2.341730     -0.361324    0.00  -0.001316068   0.000499447   0.001927836
 H      2.617276     -2.812390     -1.003877    0.00   0.000607380   0.000320462  -0.000529966
 O      1.460212     -2.818344      0.694370    0.00  -0.002599331  -0.001088816  -0.001452078
26
 Energy =      -0.180438683561
 C     -0.503264      1.965861      0.844788    0.00  -0.000301778   0.000804237   0.001244786
 C     -1.878072      1.987442      0.167982    0.00   0.000644330   0.000240082  -0.000358524
 C     -1.952655      0.949665     -0.956232    0.00   0.000224373   0.000218610  -0.000148801
 C     -1.925360     -0.488193     -0.416122    0.00  -0.001019615  -0.001663862  -0.000689220
 C     -0.710204     -0.718046      0.480996    0.00   0.005170393  -0.008358920  -0.000931567
 C     -0.209434      0.628655      1.492241    0.00   0.001867139   0.007151666   0.006051882
 H     -2.873653      1.099010     -1.551676    0.00  -0.000012499   0.000037041   0.000061032
 H     -2.677311      1.809009      0.912891    0.00   0.000058424   0.000046488  -0.000030853
 H     -2.073113      2.996751     -0.244571    0.00   0.000025530  -0.000001795  -0.000047263
 H      0.285489      2.200133      0.097201    0.00  -0.000231354   0.000043723   0.000192725
 H     -0.442959      2.767722      1.609116    0.00  -0.000123777   0.000030163   0.000085191
 H     -2.839850     -0.672419      0.206587    0.00  -0.000160699  -0.000180624  -0.000016429
 H     -0.888589      0.355212      2.319214    0.00   0.000564771  -0.000723632   0.000303455
 H      0.818020      0.574953      1.904991    0.00  -0.000313756   0.001028784  -0.000015394
 H     -1.108446      1.098489     -1.661944    0.00   0.000074611   0.000033826  -0.000027529
 O     -0.869927     -1.866730      1.208610    0.00   0.002277099  -0.000145713   0.000340763
 C     -1.885168     -1.507165     -1.557747    0.00  -0.000215176  -0.000833463   0.000117362
 H     -1.935374     -2.534637     -1.170362    0.00  -0.000001735  -0.000129332   0.000044449
 H     -2.725912     -1.371120     -2.246097    0.00   0.000005903  -0.000072986   0.000085526
 H     -0.957300     -1.423630     -2.141212    0.00  -0.000004061   0.000005522   0.000002215
 H      0.056950     -2.316230      1.414443    0.00   0.000646012  -0.000353197   0.000845071
 O      0.585011     -0.415924      0.193502    0.00  -0.012577789   0.003073069  -0.009848037
 O      1.432449     -1.201067     -0.886039    0.00   0.005840133   0.000025930   0.002852167
 C      1.866007     -2.339243     -0.363051    0.00  -0.001009357   0.000261109   0.001551655
 H      2.621300     -2.819977     -0.994394    0.00   0.000489969   0.000247154  -0.000420019
 O      1.457433     -2.817568      0.694937    0.00  -0.001917091  -0.000783881  -0.001244646
26
 Energy =      -0.179265032889
 C     -0.501876      1.967605      0.844128    0.00  -0.000153643   0.000394735   0.000625921
 C     -1.877511      1.986624      0.168640    0.00   0.000322585   0.000116566  -0.000180996
 C     -1.952348      0.949475     -0.955848    0.00   0.000107721   0.000117273  -0.000062331
 C     -1.928405     -0.488564     -0.416902    0.00  -0.000579308  -0.000863464  -0.000335811
 C     -0.714157     -0.731711      0.473633    0.00   0.002905618  -0.004702341  -0.000519226
 C     -0.196055      0.635490      1.492206    0.00   0.001001488   0.003911958   0.003365282
 H     -2.872819      1.099978     -1.552141    0.00  -0.000007120   0.000018184   0.000031809
 H     -2.676433      1.808372      0.913866    0.00   0.000026965   0.000022586  -0.000014600
 H     -2.073296      2.996053     -0.243927    0.00   0.000012500  -0.000000357  -0.000022808
 H      0.285100      2.205188      0.094996    0.00  -0.000122673   0.000021247   0.000102346
 H     -0.443231      2.770402      1.608200    0.00  -0.000062691   0.000018082   0.000039697
 H     -2.843863     -0.671791      0.204708    0.00  -0.000092682  -0.000097520  -0.000005212
 H     -0.885866      0.343391      2.304314    0.00   0.000314979  -0.000420191   0.000124390
 H      0.825154      0.589204      1.917826    0.00  -0.000166294   0.000611198  -0.000025657
 H     -1.107407      1.097502     -1.661205    0.00   0.000038532   0.000016773  -0.000012919
 O     -0.868287     -1.868548      1.207991    0.00   0.001515478   0.000100651   0.000388371
 C     -1.886044     -1.507451     -1.558675    0.00  -0.000099271  -0.000402664   0.000064215
 H     -1.936391     -2.535474     -1.172545    0.00   0.000000987  -0.000065474   0.000024113
 H     -2.725881     -1.371225     -2.248147    0.00   0.000003218  -0.000035158   0.000043694
 H     -0.957129     -1.423484     -2.141287    0.00  -0.000000727   0.000003864   0.000001695
 H      0.072582     -2.324216      1.399050    0.00   0.000189981  -0.000274384   0.000505083
 O      0.572178     -0.406714      0.205190    0.00  -0.007197212   0.001952473  -0.005597884
 O      1.438465     -1.205438     -0.888865    0.00   0.003390921  -0.000253075   0.001607224
 C      1.866632     -2.336836     -0.365011    0.00  -0.000594491   0.000115645   0.000793617
 H      2.625225     -2.827793     -0.984709    0.00   0.000310361   0.000136971  -0.000235286
 O      1.454649     -2.816878      0.695667    0.00  -0.001065221  -0.000443578  -0.000704727
26
 Energy =       -0.17883584722
 C     -0.448624      1.920381      0.857854    0.00  -0.000008235   0.000007283  -0.000002528
 C     -1.824937      1.937224      0.183484    0.00  -0.000001286   0.000000094   0.000000822
 C     -1.899988      0.900637     -0.941245    0.00   0.000001866   0.000000153   0.000001163
 C     -1.878921     -0.537448     -0.403305    0.00   0.000000426   0.000002035  -0.000000929
 C     -0.666253     -0.794078      0.481134    0.00  -0.000021872  -0.000009923   0.000009355
 C     -0.131290      0.592784      1.506132    0.00  -0.000040957  -0.000001138  -0.000019251
 H     -2.820047      1.052070     -1.538252    0.00  -0.000000804   0.000000707   0.000000821
 H     -2.623663      1.759252      0.928927    0.00   0.000001938   0.000000516  -0.000000677
 H     -2.021251      2.946786     -0.229129    0.00  -0.000001126  -0.000000834  -0.000001270
 H      0.336828      2.160892      0.107336    0.00   0.000000380  -0.000001134   0.000000402
 H     -0.391417      2.723915      1.621744    0.00   0.000000482   0.000000992   0.000001396
 H     -2.795376     -0.719826      0.217235    0.00  -0.000001754   0.000000234   0.000001001
 H     -0.830829      0.283436      2.303720    0.00  -0.000003450   0.000013227  -0.000003778
 H      0.883285      0.554770      1.945199    0.00   0.000005994   0.000008039  -0.000000804
 H     -1.054414      1.048000     -1.646341    0.00   0.000001693   0.000000187  -0.000001220
 O     -0.814384     -1.918462      1.221266    0.00   0.000025340  -0.000013437  -0.000009080
 C     -1.834635     -1.556400     -1.545153    0.00   0.000000305   0.000000453   0.000000113
 H     -1.885244     -2.584935     -1.160217    0.00   0.000000503   0.000000803   0.000000575
 H     -2.673697     -1.419911     -2.235585    0.00   0.000000306  -0.000000376  -0.000000742
 H     -0.904780     -1.472071     -2.127113    0.00  -0.000000983  -0.000000400   0.000000218
 H      0.146338     -2.381037      1.396000    0.00  -0.000004833   0.000010215  -0.000001639
 O      0.612108     -0.445522      0.231597    0.00   0.000036029  -0.000017791   0.000019937
 O      1.496096     -1.259120     -0.877817    0.00  -0.000002796   0.000007886   0.000012360
 C      1.919350     -2.382975     -0.353080    0.00   0.000014960  -0.000008156  -0.000005390
 H      2.681434     -2.884378     -0.959878    0.00  -0.000000287  -0.000004658  -0.000000576
 O      1.503786     -2.865119      0.711078    0.00  -0.000001838   0.000005025  -0.000000280
26
 Energy =      -0.179329107244
 C     -0.499566      1.970554      0.842998    0.00   0.000188860  -0.000422010  -0.000615881
 C     -1.876556      1.985221      0.169746    0.00  -0.000333499  -0.000121013   0.000181428
 C     -1.951823      0.949196     -0.955223    0.00  -0.000103886  -0.000107534   0.000065533
 C     -1.933632     -0.488933     -0.418289    0.00   0.000554477   0.000782133   0.000312076
 C     -0.722543     -0.759046      0.460055    0.00  -0.003326581   0.005609367   0.001240998
 C     -0.170719      0.647476      1.491476    0.00  -0.001459776  -0.004007593  -0.003531706
 H     -2.871468      1.101561     -1.552944    0.00   0.000005882  -0.000017165  -0.000030600
 H     -2.675088      1.807529      0.915405    0.00  -0.000022646  -0.000022834   0.000013256
 H     -2.073400      2.994919     -0.242912    0.00  -0.000014739  -0.000001564   0.000019531
 H      0.284361      2.213994      0.091095    0.00   0.000117791  -0.000019929  -0.000096530
 H     -0.443798      2.774825      1.606707    0.00   0.000062020  -0.000007542  -0.000046292
 H     -2.851083     -0.670463      0.201182    0.00   0.000086618   0.000096395   0.000005177
 H     -0.879988      0.320879      2.274544    0.00  -0.000369563   0.000406063  -0.000426175
 H      0.837220      0.617734      1.943991    0.00   0.000312577  -0.000596810   0.000061855
 H     -1.105615      1.095896     -1.660058    0.00  -0.000038215  -0.000017649   0.000008978
 O     -0.864675     -1.870976      1.205961    0.00  -0.000636287   0.000251824  -0.000829354
 C     -1.887421     -1.507953     -1.560213    0.00   0.000079999   0.000399942  -0.000056971
 H     -1.938293     -2.536999     -1.176470    0.00   0.000001437   0.000076729  -0.000023933
 H     -2.725707     -1.371200     -2.251604    0.00  -0.000000651   0.000033107  -0.000046587
 H     -0.956627     -1.423259     -2.141520    0.00  -0.000003250  -0.000004071  -0.000013302
 H      0.115900     -2.340460      1.364369    0.00  -0.001115545  -0.000159553  -0.000876165
 O      0.547842     -0.386932      0.229423    0.00   0.008548833  -0.003269086   0.006177721
 O      1.449534     -1.215405     -0.895350    0.00  -0.004132774   0.000854087  -0.001758415
 C      1.867874     -2.331717     -0.369731    0.00   0.000641402   0.000028168  -0.001607889
 H      2.633449     -2.843565     -0.963627    0.00  -0.000254398  -0.000215429   0.000360565
 O      1.448729     -2.815961      0.697909    0.00   0.001211912   0.000451969   0.001512684
26
 Energy =      -0.180917110266
 C     -0.498590      1.971834      0.842508    0.00   0.000390114  -0.000826267  -0.001224642
 C     -1.876142      1.984612      0.170219    0.00  -0.000652489  -0.000233898   0.000354889
 C     -1.951596      0.949090     -0.954970    0.00  -0.000198373  -0.000215988   0.000101738
 C     -1.935864     -0.488978     -0.418920    0.00   0.001177651   0.001572143   0.000556365
 C     -0.727009     -0.772628      0.453986    0.00  -0.007026624   0.011818833   0.002853999
 C     -0.158784      0.652619      1.490764    0.00  -0.003111212  -0.008182735  -0.007531200
 H     -2.870910      1.102227     -1.553288    0.00   0.000013818  -0.000035190  -0.000061977
 H     -2.674546      1.807230      0.916033    0.00  -0.000045947  -0.000044139   0.000025954
 H     -2.073377      2.994443     -0.242498    0.00  -0.000028723  -0.000003175   0.000039046
 H      0.284003      2.217849      0.089351    0.00   0.000243351  -0.000035439  -0.000198043
 H     -0.444087      2.776661      1.606077    0.00   0.000121466  -0.000017198  -0.000085737
 H     -2.854331     -0.669790      0.199507    0.00   0.000189753   0.000200018   0.000000462
 H     -0.876658      0.310521      2.260040    0.00  -0.000765193   0.000856661  -0.000755152
 H      0.842261      0.631813      1.956885    0.00   0.000638278  -0.001309721   0.000147169
 H     -1.104825      1.095238     -1.659588    0.00  -0.000076355  -0.000036032   0.000020070
 O     -0.862774     -1.871630      1.204560    0.00  -0.001582994   0.000299410  -0.002217147
 C     -1.887977     -1.508181     -1.560878    0.00   0.000145175   0.000784597  -0.000137910
 H     -1.939225     -2.537682     -1.178237    0.00   0.000005092   0.000150925  -0.000047244
 H     -2.725602     -1.371106     -2.253081    0.00  -0.000001536   0.000063194  -0.000091659
 H     -0.956361     -1.423151     -2.141689    0.00  -0.000001597  -0.000006567  -0.000022649
 H      0.144679     -2.349067      1.344607    0.00  -0.002402330  -0.000321909  -0.002145979
 O      0.536392     -0.376554      0.241766    0.00   0.018385263  -0.007349913   0.013227621
 O      1.454634     -1.220830     -0.898868    0.00  -0.008970862   0.002239809  -0.003716526
 C      1.868484     -2.328950     -0.372477    0.00   0.001558362   0.000118916  -0.003432085
 H      2.637712     -2.851460     -0.952205    0.00  -0.000620467  -0.000479090   0.000790732
 O      1.445543     -2.815740      0.699455    0.00   0.002616377   0.000992752   0.003549902
26
 Energy =      -0.183759743627
 C     -0.497700      1.973063      0.842063    0.00   0.000615589  -0.001222395  -0.001816225
 C     -1.875759      1.984052      0.170655    0.00  -0.000954043  -0.000344082   0.000516982
 C     -1.951382      0.949000     -0.954757    0.00  -0.000285074  -0.000309070   0.000118312
 C     -1.937893     -0.488964     -0.419546    0.00   0.001776758   0.002296253   0.000685977
 C     -0.731649     -0.786064      0.448489    0.00  -0.010991323   0.018421683   0.005313167
 C     -0.147395      0.657309      1.489924    0.00  -0.005036723  -0.012167532  -0.011652235
 H     -2.870384      1.102884     -1.553609    0.00   0.000022606  -0.000053916  -0.000091962
 H     -2.674028      1.806909      0.916619    0.00  -0.000071497  -0.000063305   0.000038771
 H     -2.073377      2.994003     -0.242105    0.00  -0.000042576  -0.000005145   0.000058240
 H      0.283618      2.221418      0.087698    0.00   0.000365448  -0.000045827  -0.000293837
 H     -0.444368      2.778365      1.605468    0.00   0.000179054  -0.000022791  -0.000121807
 H     -2.857363     -0.669089      0.197871    0.00   0.000290394   0.000300836  -0.000012104
 H     -0.873066      0.300976      2.246193    0.00  -0.001167210   0.001287937  -0.001127245
 H      0.846727      0.645569      1.969365    0.00   0.001010599  -0.002030027   0.000241761
 H     -1.104070      1.094627     -1.659124    0.00  -0.000111355  -0.000056704   0.000031008
 O     -0.860918     -1.871932      1.202909    0.00  -0.002087812   0.000348045  -0.004233900
 C     -1.888484     -1.508395     -1.561516    0.00   0.000204475   0.001178021  -0.000242213
 H     -1.940131     -2.538294     -1.179853    0.00   0.000015730   0.000223020  -0.000064474
 H     -2.725516     -1.371028     -2.254435    0.00  -0.000001461   0.000092353  -0.000133211
 H     -0.956154     -1.423003     -2.141886    0.00   0.000006696  -0.000005307  -0.000032739
 H      0.179963     -2.358645      1.323157    0.00  -0.004277448  -0.000688948  -0.004005306
 O      0.525453     -0.366121      0.254011    0.00   0.029029219  -0.012331707   0.020615840
 O      1.459511     -1.226396     -0.902461    0.00  -0.014355657   0.004124075  -0.005753197
 C      1.869071     -2.326020     -0.375511    0.00   0.002811312   0.000330991  -0.005819975
 H      2.641926     -2.859427     -0.940213    0.00  -0.001041901  -0.000812662   0.001322487
 O      1.442194     -2.815694      0.701335    0.00   0.004096199   0.001556205   0.006457882
26
 Energy =       -0.18801258474
 C     -0.496894      1.974224      0.841657    0.00   0.000863983  -0.001610408  -0.002382716
 C     -1.875409      1.983547      0.171050    0.00  -0.001227152  -0.000449714   0.000658837
 C     -1.951186      0.948923     -0.954582    0.00  -0.000364913  -0.000376681   0.000112175
 C     -1.939694     -0.488903     -0.420182    0.00   0.002300879   0.002956380   0.000652958
 C     -0.736439     -0.799269      0.443707    0.00  -0.015066822   0.025097601   0.008734409
 C     -0.136650      0.661483      1.488957    0.00  -0.007108651  -0.015791905  -0.015667611
 H     -2.869900      1.103517     -1.553890    0.00   0.000033938  -0.000075141  -0.000119520
 H     -2.673534      1.806567      0.917157    0.00  -0.000103848  -0.000080219   0.000052637
 H     -2.073379      2.993597     -0.241734    0.00  -0.000055766  -0.000006899   0.000078279
 H      0.283204      2.224688      0.086147    0.00   0.000482281  -0.000048084  -0.000380607
 H     -0.444662      2.779898      1.604895    0.00   0.000232617  -0.000022957  -0.000153005
 H     -2.860123     -0.668378      0.196283    0.00   0.000383541   0.000391332  -0.000036483
 H     -0.869314      0.292303      2.233163    0.00  -0.001547586   0.001660056  -0.001511295
 H      0.850613      0.658793      1.981192    0.00   0.001402035  -0.002717128   0.000335110
 H     -1.103371      1.094083     -1.658666    0.00  -0.000142237  -0.000079990   0.000044914
 O     -0.859220     -1.871787      1.201024    0.00  -0.001672352   0.000530946  -0.006751806
 C     -1.888949     -1.508594     -1.562138    0.00   0.000271466   0.001600506  -0.000383164
 H     -1.941039     -2.538811     -1.181288    0.00   0.000037252   0.000286609  -0.000071805
 H     -2.725455     -1.370969     -2.255672    0.00  -0.000002084   0.000123382  -0.000169148
 H     -0.956038     -1.422820     -2.142092    0.00   0.000026623   0.000001226  -0.000039392
 H      0.222751     -2.369670      1.299762    0.00  -0.006962548  -0.001378579  -0.006512098
 O      0.515133     -0.355740      0.266026    0.00   0.039919337  -0.017937233   0.027941527
 O      1.464125     -1.232036     -0.906085    0.00  -0.020043918   0.006380340  -0.007799856
 C      1.869631     -2.322883     -0.378843    0.00   0.004427591   0.000688427  -0.008885865
 H      2.646096     -2.867424     -0.927607    0.00  -0.001506660  -0.001211189   0.001964498
 O      1.438719     -2.815866      0.703564    0.00   0.005422993   0.002069320   0.010289026
26
 Energy =       -0.19379904157
 C     -0.496160      1.975324      0.841285    0.00   0.001130483  -0.001989056  -0.002919895
 C     -1.875088      1.983094      0.171408    0.00  -0.001463314  -0.000550321   0.000775242
 C     -1.951006      0.948855     -0.954447    0.00  -0.000442381  -0.000415500   0.000083049
 C     -1.941264     -0.488812     -0.420854    0.00   0.002691918   0.003577719   0.000420511
 C     -0.741347     -0.812179      0.439725    0.00  -0.019041950   0.031415919   0.013046134
 C     -0.126614      0.665161      1.487910    0.00  -0.009159011  -0.018910786  -0.019306729
 H     -2.869453      1.104135     -1.554123    0.00   0.000047850  -0.000099542  -0.000143047
 H     -2.673048      1.806182      0.917656    0.00  -0.000145998  -0.000094498   0.000068116
 H     -2.073388      2.993214     -0.241379    0.00  -0.000067995  -0.000008006   0.000100020
 H      0.282747      2.227669      0.084697    0.00   0.000592050  -0.000040737  -0.000454538
 H     -0.444973      2.781268      1.604355    0.00   0.000281784  -0.000016912  -0.000178084
 H     -2.862580     -0.667659      0.194747    0.00   0.000464385   0.000464641  -0.000075784
 H     -0.865477      0.284572      2.221109    0.00  -0.001874731   0.001935608  -0.001877837
 H      0.853964      0.671338      1.992201    0.00   0.001780530  -0.003322634   0.000410312
 H     -1.102738      1.093603     -1.658194    0.00  -0.000167309  -0.000106365   0.000063138
 O     -0.857856     -1.871131      1.198943    0.00   0.000115515   0.001003741  -0.009416968
 C     -1.889387     -1.508777     -1.562762    0.00   0.000363329   0.002075128  -0.000570295
 H     -1.941956     -2.539216     -1.182523    0.00   0.000071880   0.000336766  -0.000066936
 H     -2.725426     -1.370946     -2.256806    0.00  -0.000005030   0.000159845  -0.000198017
 H     -0.956046     -1.422596     -2.142294    0.00   0.000061286   0.000014553  -0.000039538
 H      0.273419     -2.382426      1.274820    0.00  -0.010338531  -0.002431510  -0.009433248
 O      0.505504     -0.345551      0.277662    0.00   0.050336647  -0.023748042   0.034721567
 O      1.468468     -1.237653     -0.909686    0.00  -0.025617486   0.008803483  -0.009784857
 C      1.870180     -2.319536     -0.382489    0.00   0.006267700   0.001181926  -0.012570475
 H      2.650163     -2.875457     -0.914437    0.00  -0.001993123  -0.001647496   0.002696570
 O      1.435224     -2.816307      0.706122    0.00   0.006111503   0.002412076   0.014651588
26
 Energy =      -0.201102383296
 C     -0.495479      1.976388      0.840939    0.00   0.001412956  -0.002363819  -0.003427348
 C     -1.874788      1.982682      0.171737    0.00  -0.001663456  -0.000646328   0.000867621
 C     -1.950836      0.948791     -0.954343    0.00  -0.000526741  -0.000434956   0.000035484
 C     -1.942631     -0.488720     -0.421592    0.00   0.002898714   0.004215344   0.000005103
 C     -0.746360     -0.824824      0.436504    0.00  -0.022518186   0.036804239   0.017666812
 C     -0.117215      0.668426      1.486831    0.00  -0.010977953  -0.021408453  -0.022286848
 H     -2.869035      1.104745     -1.554306    0.00   0.000062950  -0.000125784  -0.000161223
 H     -2.672553      1.805735      0.918131    0.00  -0.000198121  -0.000106586   0.000085164
 H     -2.073410      2.992842     -0.241031    0.00  -0.000078490  -0.000007833   0.000123723
 H      0.282235      2.230421      0.083326    0.00   0.000693815  -0.000025221  -0.000514030
 H     -0.445311      2.782509      1.603840    0.00   0.000328285  -0.000005644  -0.000197435
 H     -2.864753     -0.666913      0.193241    0.00   0.000533516   0.000518713  -0.000130198
 H     -0.861559      0.277776      2.210039    0.00  -0.002112864   0.002066505  -0.002196597
 H      0.856896      0.683231      2.002383    0.00   0.002109549  -0.003804427   0.000447186
 H     -1.102157      1.093180     -1.657694    0.00  -0.000186230  -0.000136009   0.000083901
 O     -0.856986     -1.869962      1.196726    0.00   0.003238679   0.001897456  -0.011535850
 C     -1.889822     -1.508945     -1.563411    0.00   0.000493231   0.002618425  -0.000800766
 H     -1.942898     -2.539508     -1.183573    0.00   0.000116887   0.000374417  -0.000052646
 H     -2.725439     -1.370979     -2.257879    0.00  -0.000011197   0.000205778  -0.000221179
 H     -0.956196     -1.422331     -2.142486    0.00   0.000107672   0.000035637  -0.000034974
 H      0.330657     -2.396682      1.249476    0.00  -0.013547521  -0.003712599  -0.011954869
 O      0.496502     -0.335579      0.288905    0.00   0.059422428  -0.029179814   0.040420931
 O      1.472566     -1.243182     -0.913260    0.00  -0.030372946   0.011112195  -0.011629984
 C      1.870771     -2.316030     -0.386442    0.00   0.007828434   0.001722527  -0.016439726
 H      2.654092     -2.883571     -0.900762    0.00  -0.002452551  -0.002061121   0.003436466
 O      1.431893     -2.817064      0.708918    0.00   0.005399139   0.002447357   0.018411281
26
 Energy =      -0.209591443549
 C     -0.494813      1.977469      0.840604    0.00   0.001717651  -0.002748191  -0.003909635
 C     -1.874494      1.982292      0.172053    0.00  -0.001842865  -0.000739275   0.000946849
 C     -1.950664      0.948723     -0.954263    0.00  -0.000630732  -0.000460237  -0.000021996
 C     -1.943869     -0.488658     -0.422446    0.00   0.002900929   0.004937990  -0.000497541
 C     -0.751524     -0.837398      0.433843    0.00  -0.024851683   0.040623102   0.021387331
 C     -0.108168      0.671438      1.485740    0.00  -0.012353632  -0.023209902  -0.024376349
 H     -2.868628      1.105368     -1.554447    0.00   0.000076174  -0.000150106  -0.000174011
 H     -2.672019      1.805203      0.918607    0.00  -0.000256140  -0.000118055   0.000103075
 H     -2.073452      2.992465     -0.240671    0.00  -0.000085783  -0.000005393   0.000148882
 H      0.281646      2.233076      0.081978    0.00   0.000787767  -0.000007195  -0.000561798
 H     -0.445693      2.783697      1.603324    0.00   0.000376309   0.000007178  -0.000213767
 H     -2.866746     -0.666098      0.191698    0.00   0.000599038   0.000560767  -0.000194380
 H     -0.857420      0.271820      2.199747    0.00  -0.002227403   0.001996824  -0.002438549
 H      0.859607      0.694805      2.011978    0.00   0.002355516  -0.004136357   0.000424494
 H     -1.101598      1.092797     -1.657147    0.00  -0.000200667  -0.000168453   0.000100845
 O     -0.856699     -1.868376      1.194439    0.00   0.006699124   0.003196610  -0.012218024
 C     -1.890285     -1.509106     -1.564123    0.00   0.000662075   0.003231115  -0.001054762
 H     -1.943897     -2.539713     -1.184509    0.00   0.000162773   0.000409702  -0.000038445
 H     -2.725500     -1.371081     -2.258965    0.00  -0.000019651   0.000264278  -0.000243574
 H     -0.956485     -1.422024     -2.142690    0.00   0.000154220   0.000064967  -0.000034859
 H      0.391114     -2.411376      1.225620    0.00  -0.015014616  -0.004877103  -0.012795303
 O      0.487857     -0.325625      0.300002    0.00   0.066360022  -0.033577513   0.044594959
 O      1.476504     -1.248640     -0.916887    0.00  -0.033418421   0.013027400  -0.013267856
 C      1.871505     -2.312456     -0.390691    0.00   0.008251555   0.002123359  -0.019594893
 H      2.657930     -2.891905     -0.886531    0.00  -0.002809192  -0.002368372   0.004028215
 O      1.428970     -2.818200      0.711792    0.00   0.002607633   0.002122859   0.019901092
26
 Energy =      -0.218584631176
 C     -0.494113      1.978656      0.840257    0.00   0.002059720  -0.003158741  -0.004373717
 C     -1.874182      1.981890      0.172384    0.00  -0.002025917  -0.000831457   0.001029271
 C     -1.950466      0.948647     -0.954192    0.00  -0.000765140  -0.000520810  -0.000082301
 C     -1.945084     -0.488670     -0.423482    0.00   0.002719490   0.005789103  -0.000944262
 C     -0.756958     -0.850198      0.431403    0.00  -0.025326758   0.042361978   0.022821122
 C     -0.099016      0.674405      1.484632    0.00  -0.013098468  -0.024302524  -0.025430798
 H     -2.868205      1.106027     -1.554561    0.00   0.000083686  -0.000168574  -0.000183409
 H     -2.671406      1.804553      0.919124    0.00  -0.000313406  -0.000131012   0.000121116
 H     -2.073530      2.992058     -0.240277    0.00  -0.000088393   0.000000806   0.000174928
 H      0.280952      2.235838      0.080566    0.00   0.000874311   0.000004802  -0.000603545
 H     -0.446149      2.784946      1.602774    0.00   0.000430721   0.000015856  -0.000231323
 H     -2.868738     -0.665143      0.190001    0.00   0.000669374   0.000604360  -0.000257436
 H     -0.852757      0.266630      2.189944    0.00  -0.002193952   0.001681917  -0.002573366
 H      0.862359      0.706659      2.021383    0.00   0.002495028  -0.004308273   0.000322488
 H     -1.101001      1.092438     -1.656535    0.00  -0.000213202  -0.000202206   0.000106144
 O     -0.857011     -1.866581      1.192155    0.00   0.008863251   0.004722287  -0.010788302
 C     -1.890821     -1.509275     -1.564955    0.00   0.000855641   0.003901840  -0.001306527
 H     -1.945009     -2.539877     -1.185453    0.00   0.000196752   0.000458119  -0.000037105
 H     -2.725623     -1.371267     -2.260180    0.00  -0.000027967   0.000335466  -0.000271571
 H     -0.956894     -1.421679     -2.142963    0.00   0.000185863   0.000103321  -0.000050285
 H      0.449831     -2.424622      1.205863    0.00  -0.013594424  -0.005592464  -0.011148915
 O      0.479123     -0.315275      0.311440    0.00   0.070560790  -0.036385032   0.047004767
 O      1.480403     -1.254117     -0.920746    0.00  -0.034053010   0.014370362  -0.014632925
 C      1.872548     -2.308974     -0.395213    0.00   0.006775956   0.002177903  -0.021004037
 H      2.661823     -2.900650     -0.871604    0.00  -0.002987486  -0.002496959   0.004290109
 O      1.426744     -2.819799      0.714538    0.00  -0.002082459   0.001569934   0.018049878
26
 Energy =      -0.227351744458
 C     -0.493318      1.980063      0.839878    0.00   0.002455211  -0.003605008  -0.004821803
 C     -1.873825      1.981436      0.172759    0.00  -0.002230387  -0.000924664   0.001126455
 C     -1.950216      0.948553     -0.954118    0.00  -0.000930241  -0.000627302  -0.000146075
 C     -1.946398     -0.488817     -0.424785    0.00   0.002407794   0.006752599  -0.001226995
 C     -0.762752     -0.863319      0.428774    0.00  -0.023605899   0.041854507   0.021348558
 C     -0.089331      0.677539      1.483516    0.00  -0.013042504  -0.024765180  -0.025378753
 H     -2.867730      1.106749     -1.554672    0.00   0.000082978  -0.000180962  -0.000193405
 H     -2.670667      1.803744      0.919730    0.00  -0.000364996  -0.000146746   0.000139198
 H     -2.073670      2.991590     -0.239823    0.00  -0.000086288   0.000012659   0.000202407
 H      0.280124      2.238937      0.079001    0.00   0.000952171   0.000003135  -0.000642414
 H     -0.446713      2.786403      1.602148    0.00   0.000493807   0.000015129  -0.000253911
 H     -2.870936     -0.663978      0.188007    0.00   0.000739012   0.000658062  -0.000307215
 H     -0.847186      0.262341      2.180575    0.00  -0.002010714   0.001120549  -0.002568647
 H      0.865452      0.719407      2.030887    0.00   0.002516848  -0.004316708   0.000126850
 H     -1.100293      1.092089     -1.655839    0.00  -0.000224992  -0.000234605   0.000097629
 O     -0.857903     -1.864933      1.190001    0.00   0.008642131   0.006245053  -0.007302435
 C     -1.891488     -1.509472     -1.565985    0.00   0.001048109   0.004620475  -0.001545079
 H     -1.946306     -2.540064     -1.186576    0.00   0.000210518   0.000529534  -0.000057208
 H     -2.725830     -1.371552     -2.261669    0.00  -0.000033925   0.000414728  -0.000308865
 H     -0.957405     -1.421307     -2.143393    0.00   0.000194679   0.000151998  -0.000082611
 H      0.501287     -2.434133      1.193192    0.00  -0.010001214  -0.005822859  -0.007781420
 O      0.469863     -0.304120      0.323701    0.00   0.071714442  -0.037279162   0.047598353
 O      1.484328     -1.259658     -0.925039    0.00  -0.032247653   0.015087610  -0.015578983
 C      1.874102     -2.305872     -0.399891    0.00   0.003452614   0.001805064  -0.020150554
 H      2.665958     -2.909854     -0.856073    0.00  -0.002953788  -0.002424480   0.004117892
 O      1.425513     -2.821932      0.716904    0.00  -0.007177710   0.001056574   0.013589030
26
 Energy =       -0.23548985794
 C     -0.492393      1.981796      0.839456    0.00   0.002907873  -0.004078349  -0.005240963
 C     -1.873400      1.980898      0.173205    0.00  -0.002452690  -0.001018133   0.001236417
 C     -1.949881      0.948438     -0.954031    0.00  -0.001111569  -0.000756487  -0.000219374
 C     -1.947902     -0.489172     -0.426423    0.00   0.002035067   0.007743610  -0.001344113
 C     -0.768840     -0.876366      0.425621    0.00  -0.020203618   0.039408389   0.017847471
 C     -0.079007      0.681000      1.482486    0.00  -0.012072315  -0.024785313  -0.024242126
 H     -2.867162      1.107554     -1.554801    0.00   0.000075651  -0.000191435  -0.000208541
 H     -2.669757      1.802739      0.920474    0.00  -0.000411111  -0.000164539   0.000157763
 H     -2.073912      2.991028     -0.239289    0.00  -0.000080992   0.000031665   0.000232865
 H      0.279157      2.242551      0.077234    0.00   0.001016508  -0.000014784  -0.000674796
 H     -0.447411      2.788207      1.601414    0.00   0.000563727   0.000002806  -0.000283319
 H     -2.873497     -0.662595      0.185615    0.00   0.000784752   0.000717025  -0.000336626
 H     -0.840428      0.259375      2.172121    0.00  -0.001712360   0.000384064  -0.002409820
 H      0.869146      0.733302      2.040351    0.00   0.002423850  -0.004169697  -0.000160281
 H     -1.099419      1.091752     -1.655054    0.00  -0.000235424  -0.000262677   0.000081855
 O     -0.859317     -1.863901      1.188170    0.00   0.006418038   0.007571983  -0.002836447
 C     -1.892339     -1.509721     -1.567289    0.00   0.001211895   0.005379888  -0.001781594
 H     -1.947835     -2.540348     -1.188052    0.00   0.000206008   0.000618795  -0.000096679
 H     -2.726142     -1.371947     -2.263568    0.00  -0.000036171   0.000493838  -0.000353501
 H     -0.958008     -1.420950     -2.144074    0.00   0.000185486   0.000210871  -0.000119913
 H      0.542143     -2.438387      1.189245    0.00  -0.006294791  -0.005769772  -0.004553907
 O      0.459928     -0.292112      0.336893    0.00   0.069878145  -0.036266744   0.046492456
 O      1.488210     -1.265166     -0.929840    0.00  -0.028866512   0.015218542  -0.015843314
 C      1.876315     -2.303543     -0.404432    0.00  -0.000607667   0.001136293  -0.017544278
 H      2.670446     -2.919198     -0.840633    0.00  -0.002743083  -0.002194705   0.003580100
 O      1.425415     -2.824548      0.718664    0.00  -0.010878698   0.000754867   0.008620664
26
 Energy =      -0.242913716552
 C     -0.491318      1.983940      0.838994    0.00   0.003407564  -0.004555446  -0.005602945
 C     -1.872888      1.980252      0.173741    0.00  -0.002672697  -0.001107840   0.001347133
 C     -1.949441      0.948294     -0.953929    0.00  -0.001292579  -0.000869864  -0.000302142
 C     -1.949649     -0.489795     -0.428429    0.00   0.001654164   0.008644768  -0.001374671
 C     -0.775050     -0.888741      0.421874    0.00  -0.016202551   0.035629432   0.014026898
 C     -0.068256      0.684924      1.481737    0.00  -0.010216288  -0.024589858  -0.022177217
 H     -2.866458      1.108460     -1.554969    0.00   0.000066888  -0.000204093  -0.000231396
 H     -2.668647      1.801506      0.921386    0.00  -0.000455893  -0.000182126   0.000177303
 H     -2.074307      2.990340     -0.238662    0.00  -0.000073441   0.000058001   0.000267312
 H      0.278074      2.246758      0.075281    0.00   0.001059705  -0.000045777  -0.000694198
 H     -0.448243      2.790486      1.600556    0.00   0.000637716  -0.000020042  -0.000320212
 H     -2.876452     -0.661080      0.182798    0.00   0.000785381   0.000770509  -0.000346493
 H     -0.832424      0.258202      2.165395    0.00  -0.001358369  -0.000409962  -0.002122652
 H      0.873656      0.748204      2.049250    0.00   0.002233374  -0.003899503  -0.000514796
 H     -1.098350      1.091424     -1.654177    0.00  -0.000244764  -0.000285072   0.000067133
 O     -0.861150     -1.863828      1.186789    0.00   0.003495526   0.008586872   0.001149597
 C     -1.893411     -1.510045     -1.568936    0.00   0.001333115   0.006164693  -0.002032007
 H     -1.949615     -2.540789     -1.190025    0.00   0.000192251   0.000710823  -0.000145147
 H     -2.726572     -1.372451     -2.265970    0.00  -0.000033297   0.000566155  -0.000399735
 H     -0.958721     -1.420662     -2.145072    0.00   0.000168396   0.000276660  -0.000150127
 H      0.573668     -2.437584      1.192663    0.00  -0.003713285  -0.005579626  -0.002548031
 O      0.449462     -0.279582      0.350726    0.00   0.065544043  -0.033655666   0.043995717
 O      1.491914     -1.270509     -0.935050    0.00  -0.025107305   0.014861868  -0.015236908
 C      1.879181     -2.302239     -0.408528    0.00  -0.004125378   0.000409250  -0.014350322
 H      2.675285     -2.928165     -0.826253    0.00  -0.002432714  -0.001883100   0.002867611
 O      1.426304     -2.827480      0.719773    0.00  -0.012649563   0.000608945   0.004650295
26
 Energy =       -0.24962624767
 C     -0.490086      1.986580      0.838503    0.00   0.003940102  -0.005013722  -0.005875306
 C     -1.872277      1.979478      0.174381    0.00  -0.002870811  -0.001187649   0.001447497
 C     -1.948880      0.948114     -0.953819    0.00  -0.001469456  -0.000944151  -0.000384814
 C     -1.951668     -0.490725     -0.430838    0.00   0.001278431   0.009354327  -0.001386665
 C     -0.781273     -0.900126      0.417739    0.00  -0.012399153   0.031064335   0.011037089
 C     -0.057343      0.689500      1.481523    0.00  -0.007644559  -0.024322253  -0.019430345
 H     -2.865566      1.109512     -1.555204    0.00   0.000060601  -0.000219897  -0.000261536
 H     -2.667299      1.799990      0.922506    0.00  -0.000503062  -0.000197172   0.000198050
 H     -2.074921      2.989488     -0.237930    0.00  -0.000063049   0.000090806   0.000305697
 H      0.276913      2.251598      0.073180    0.00   0.001074288  -0.000084195  -0.000696855
 H     -0.449207      2.793381      1.599545    0.00   0.000715338  -0.000050827  -0.000366193
 H     -2.879773     -0.659578      0.179544    0.00   0.000738008   0.000813682  -0.000342487
 H     -0.823199      0.259134      2.161119    0.00  -0.000999513  -0.001161393  -0.001758392
 H      0.879218      0.763916      2.057022    0.00   0.001970766  -0.003550643  -0.000901911
 H     -1.097066      1.091089     -1.653195    0.00  -0.000255202  -0.000302280   0.000057120
 O     -0.863291     -1.864799      1.185810    0.00   0.000870684   0.009266053   0.003821808
 C     -1.894742     -1.510471     -1.571008    0.00   0.001415020   0.006943470  -0.002299437
 H     -1.951669     -2.541419     -1.192601    0.00   0.000177431   0.000793376  -0.000193097
 H     -2.727144     -1.373050     -2.268953    0.00  -0.000023680   0.000628444  -0.000442318
 H     -0.959582     -1.420497     -2.146437    0.00   0.000149449   0.000344615  -0.000170590
 H      0.599507     -2.432812      1.200540    0.00  -0.002207598  -0.005279573  -0.001647166
 O      0.438646     -0.266926      0.364847    0.00   0.059404086  -0.029851204   0.040513720
 O      1.495362     -1.275698     -0.940505    0.00  -0.021703534   0.014135663  -0.013818667
 C      1.882613     -2.301945     -0.412066    0.00  -0.006552788  -0.000205208  -0.011458373
 H      2.680435     -2.936419     -0.813576    0.00  -0.002091072  -0.001547325   0.002143425
 O      1.427923     -2.830572      0.720328    0.00  -0.013010725   0.000482722   0.001909744
26
 Energy =      -0.255625230179
 C     -0.488692      1.989821      0.837999    0.00   0.004487364  -0.005434628  -0.006029011
 C     -1.871549      1.978555      0.175144    0.00  -0.003033419  -0.001250073   0.001531387
 C     -1.948181      0.947877     -0.953706    0.00  -0.001648663  -0.000976663  -0.000455197
 C     -1.953971     -0.491993     -0.433684    0.00   0.000897229   0.009799734  -0.001402123
 C     -0.787491     -0.910462      0.413579    0.00  -0.009052217   0.026110979   0.009146203
 C     -0.046485      0.694976      1.482125    0.00  -0.004629942  -0.023998276  -0.016294320
 H     -2.864429      1.110771     -1.555536    0.00   0.000056849  -0.000237609  -0.000296346
 H     -2.665661      1.798099      0.923876    0.00  -0.000553708  -0.000207776   0.000219844
 H     -2.075841      2.988423     -0.237070    0.00  -0.000048896   0.000128771   0.000347407
 H      0.275717      2.257086      0.070970    0.00   0.001055227  -0.000124238  -0.000682051
 H     -0.450304      2.797092      1.598327    0.00   0.000796892  -0.000086232  -0.000423335
 H     -2.883421     -0.658248      0.175816    0.00   0.000653566   0.000848080  -0.000331075
 H     -0.812761      0.262352      2.159828    0.00  -0.000666847  -0.001806531  -0.001369681
 H      0.886123      0.780325      2.063176    0.00   0.001664948  -0.003162427  -0.001284816
 H     -1.095534      1.090718     -1.652075    0.00  -0.000269164  -0.000315236   0.000052059
 O     -0.865645     -1.866730      1.185064    0.00  -0.001102158   0.009641140   0.005115557
 C     -1.896377     -1.511029     -1.573601    0.00   0.001468446   0.007667583  -0.002574228
 H     -1.954037     -2.542259     -1.195876    0.00   0.000165957   0.000860250  -0.000235435
 H     -2.727893     -1.373723     -2.272604    0.00  -0.000005927   0.000677966  -0.000477603
 H     -0.960649     -1.420503     -2.148227    0.00   0.000130384   0.000410329  -0.000183823
 H      0.622682     -2.425008      1.210365    0.00  -0.001356898  -0.004868013  -0.001375996
 O      0.427592     -0.254497      0.378967    0.00   0.052150346  -0.025262150   0.036452405
 O      1.498541     -1.280855     -0.946048    0.00  -0.018846500   0.013149783  -0.011831532
 C      1.886543     -2.302516     -0.415107    0.00  -0.007963074  -0.000634457  -0.009200739
 H      2.685849     -2.943851     -0.802889    0.00  -0.001761982  -0.001218773   0.001492712
 O      1.430089     -2.833733      0.720460    0.00  -0.012587815   0.000288465   0.000089737
26
 Energy =      -0.260921797783
 C     -0.487138      1.993787      0.837512    0.00   0.005019966  -0.005797763  -0.006043788
 C     -1.870687      1.977457      0.176049    0.00  -0.003150841  -0.001287174   0.001597138
 C     -1.947319      0.947560     -0.953595    0.00  -0.001837852  -0.000977453  -0.000504509
 C     -1.956549     -0.493626     -0.437000    0.00   0.000503031   0.009939890  -0.001412442
 C     -0.793729     -0.919737      0.409811    0.00  -0.006129098   0.021101532   0.008138192
 C     -0.035870      0.701621      1.483816    0.00  -0.001524792  -0.023530197  -0.013099881
 H     -2.862977      1.112304     -1.555999    0.00   0.000052751  -0.000255040  -0.000332088
 H     -2.663665      1.795711      0.925547    0.00  -0.000606418  -0.000212398   0.000242037
 H     -2.077182      2.987092     -0.236054    0.00  -0.000030774   0.000170134   0.000391454
 H      0.274547      2.263200      0.068695    0.00   0.001002040  -0.000160444  -0.000651079
 H     -0.451538      2.801872      1.596810    0.00   0.000879961  -0.000122226  -0.000491564
 H     -2.887367     -0.657255      0.171537    0.00   0.000547974   0.000877082  -0.000317352
 H     -0.801116      0.267978      2.161904    0.00  -0.000378237  -0.002308028  -0.001002374
 H      0.894670      0.797357      2.067274    0.00   0.001347340  -0.002763314  -0.001626648
 H     -1.093701      1.090262     -1.650780    0.00  -0.000287963  -0.000324586   0.000051251
 O     -0.868140     -1.869489      1.184357    0.00  -0.002441720   0.009758114   0.005365388
 C     -1.898364     -1.511743     -1.576826    0.00   0.001504035   0.008275162  -0.002839503
 H     -1.956777     -2.543313     -1.199942    0.00   0.000159426   0.000908636  -0.000270011
 H     -2.728869     -1.374434     -2.277008    0.00   0.000020963   0.000710810  -0.000502918
 H     -0.961972     -1.420729     -2.150512    0.00   0.000111527   0.000469903  -0.000192535
 H      0.644867     -2.414800      1.220456    0.00  -0.000853466  -0.004355627  -0.001369043
 O      0.416373     -0.242625      0.392834    0.00   0.044457827  -0.020333830   0.032196841
 O      1.501456     -1.286120     -0.951535    0.00  -0.016469897   0.011999765  -0.009570129
 C      1.890942     -2.303798     -0.417791    0.00  -0.008645370  -0.000862066  -0.007568187
 H      2.691488     -2.950496     -0.794313    0.00  -0.001470297  -0.000914747   0.000949027
 O      1.432714     -2.836908      0.720271    0.00  -0.011780114  -0.000006134  -0.001137278
26
 Energy =      -0.265562396301
 C     -0.485439      1.998586      0.837084    0.00   0.005493054  -0.006075234  -0.005915208
 C     -1.869682      1.976161      0.177111    0.00  -0.003216108  -0.001292303   0.001646910
 C     -1.946264      0.947124     -0.953486    0.00  -0.002038924  -0.000962572  -0.000529945
 C     -1.959359     -0.495647     -0.440780    0.00   0.000108358   0.009771543  -0.001398434
 C     -0.800020     -0.927869      0.406836    0.00  -0.003555637   0.016358477   0.007677880
 C     -0.025682      0.709639      1.486780    0.00   0.001285180  -0.022781909  -0.010189368
 H     -2.861132      1.114157     -1.556629    0.00   0.000044438  -0.000269644  -0.000364773
 H     -2.661252      1.792683      0.927561    0.00  -0.000657907  -0.000209996   0.000263466
 H     -2.079079      2.985439     -0.234848    0.00  -0.000009574   0.000212365   0.000436278
 H      0.273472      2.269858      0.066399    0.00   0.000920815  -0.000188150  -0.000607228
 H     -0.452908      2.807996      1.594874    0.00   0.000956896  -0.000154409  -0.000565761
 H     -2.891597     -0.656758      0.166609    0.00   0.000437346   0.000902467  -0.000304247
 H     -0.788302      0.276057      2.167528    0.00  -0.000143955  -0.002647136  -0.000693237
 H      0.905070      0.814898      2.068954    0.00   0.001049276  -0.002372211  -0.001893431
 H     -1.091502      1.089662     -1.649267    0.00  -0.000311362  -0.000330822   0.000053817
 O     -0.870714     -1.872948      1.183519    0.00  -0.003280607   0.009661899   0.004990307
 C     -1.900739     -1.512621     -1.580779    0.00   0.001529143   0.008699665  -0.003074551
 H     -1.959940     -2.544576     -1.204876    0.00   0.000157881   0.000937179  -0.000295999
 H     -2.730127     -1.375113     -2.282215    0.00   0.000057165   0.000722556  -0.000516376
 H     -0.963597     -1.421218     -2.153368    0.00   0.000093396   0.000519507  -0.000198341
 H      0.666673     -2.402735      1.229708    0.00  -0.000541145  -0.003766553  -0.001423573
 O      0.405059     -0.231644      0.406203    0.00   0.036987438  -0.015558773   0.028100970
 O      1.504101     -1.291598     -0.956824    0.00  -0.014458057   0.010769105  -0.007298312
 C      1.895795     -2.305685     -0.420272    0.00  -0.008873855  -0.000897698  -0.006426383
 H      2.697302     -2.956451     -0.787910    0.00  -0.001227859  -0.000647313   0.000521246
 O      1.435776     -2.840042      0.719833    0.00  -0.010805397  -0.000400038  -0.001995706
26
 Energy =      -0.269627758226
 C     -0.483633      2.004276      0.836765    0.00   0.005853325  -0.006232594  -0.005662056
 C     -1.868540      1.974649      0.178338    0.00  -0.003225834  -0.001262472   0.001686033
 C     -1.944987      0.946531     -0.953374    0.00  -0.002244482  -0.000949181  -0.000535128
 C     -1.962326     -0.498050     -0.444965    0.00  -0.000252947   0.009334293  -0.001343727
 C     -0.806398     -0.934719      0.404977    0.00  -0.001326281   0.012178166   0.007484681
 C     -0.016079      0.719076      1.491020    0.00   0.003479715  -0.021649511  -0.007842578
 H     -2.858822      1.116332     -1.557456    0.00   0.000029030  -0.000279167  -0.000391233
 H     -2.658385      1.788880      0.929948    0.00  -0.000703814  -0.000200478   0.000282652
 H     -2.081670      2.983417     -0.233417    0.00   0.000012801   0.000252040   0.000479637
 H      0.272561      2.276907      0.064136    0.00   0.000824643  -0.000204500  -0.000555882
 H     -0.454394      2.815661      1.592404    0.00   0.001015324  -0.000178905  -0.000634770
 H     -2.896102     -0.656887      0.160949    0.00   0.000335615   0.000922770  -0.000292604
 H     -0.774442      0.286501      2.176563    0.00   0.000032694  -0.002823316  -0.000465107
 H      0.917308      0.832738      2.068011    0.00   0.000796040  -0.002002105  -0.002061075
 H     -1.088874      1.088847     -1.647497    0.00  -0.000337634  -0.000334733   0.000058701
 O     -0.873309     -1.876983      1.182429    0.00  -0.003743950   0.009398247   0.004339666
 C     -1.903505     -1.513651     -1.585500    0.00   0.001547584   0.008885375  -0.003258162
 H     -1.963557     -2.546015     -1.210705    0.00   0.000160493   0.000945720  -0.000313310
 H     -2.731713     -1.375647     -2.288195    0.00   0.000101103   0.000710278  -0.000517425
 H     -0.965541     -1.422001     -2.156844    0.00   0.000077156   0.000555286  -0.000202069
 H      0.687990     -2.389509      1.237358    0.00  -0.000346713  -0.003135476  -0.001445130
 O      0.393743     -0.221836      0.418870    0.00   0.030308277  -0.011396660   0.024443606
 O      1.506462     -1.297325     -0.961771    0.00  -0.012724968   0.009531536  -0.005213255
 C      1.901070     -2.308119     -0.422689    0.00  -0.008834922  -0.000768705  -0.005624487
 H      2.703233     -2.961848     -0.783668    0.00  -0.001036602  -0.000425522   0.000205748
 O      1.439276     -2.843056      0.719204    0.00  -0.009795654  -0.000870387  -0.002622726
26
 Energy =      -0.273213436988
 C     -0.481768      2.010823      0.836592    0.00   0.006058421  -0.006239598  -0.005326063
 C     -1.867282      1.972920      0.179729    0.00  -0.003181384  -0.001199860   0.001721188
 C     -1.943461      0.945752     -0.953249    0.00  -0.002438592  -0.000950851  -0.000528620
 C     -1.965363     -0.500792     -0.449441    0.00  -0.000539919   0.008702118  -0.001241936
 C     -0.812889     -0.940177      0.404409    0.00   0.000506506   0.008762932   0.007375263
 C     -0.007139      0.729773      1.496293    0.00   0.004914501  -0.020133169  -0.006185578
 H     -2.855995      1.118773     -1.558503    0.00   0.000006053  -0.000282470  -0.000410225
 H     -2.655068      1.784208      0.932698    0.00  -0.000739926  -0.000185052   0.000298235
 H     -2.085056      2.980999     -0.231731    0.00   0.000034058   0.000285440   0.000518971
 H      0.271845      2.284176      0.061942    0.00   0.000730216  -0.000209392  -0.000503523
 H     -0.455962      2.824889      1.589340    0.00   0.001043108  -0.000193405  -0.000684608
 H     -2.900871     -0.657704      0.154523    0.00   0.000252444   0.000933577  -0.000281787
 H     -0.759751      0.299048      2.188485    0.00   0.000156477  -0.002855170  -0.000321663
 H      0.931087      0.850591      2.064487    0.00   0.000599981  -0.001663395  -0.002123348
 H     -1.085770      1.087752     -1.645442    0.00  -0.000364120  -0.000337640   0.000064722
 O     -0.875886     -1.881467      1.181035    0.00  -0.003922719   0.009016814   0.003645383
 C     -1.906619     -1.514788     -1.590951    0.00   0.001560828   0.008806733  -0.003373864
 H     -1.967621     -2.547576     -1.217387    0.00   0.000165878   0.000935589  -0.000322592
 H     -2.733640     -1.375888     -2.294823    0.00   0.000148870   0.000674517  -0.000507468
 H     -0.967796     -1.423073     -2.160937    0.00   0.000064364   0.000573889  -0.000204103
 H      0.708302     -2.375994      1.242922    0.00  -0.000229762  -0.002504115  -0.001402473
 O      0.382523     -0.213336      0.430743    0.00   0.024762259  -0.008134588   0.021367477
 O      1.508524     -1.303278     -0.966249    0.00  -0.011218982   0.008348749  -0.003432288
 C      1.906696     -2.311056     -0.425159    0.00  -0.008630724  -0.000519791  -0.005034641
 H      2.709214     -2.966837     -0.781446    0.00  -0.000890637  -0.000253560  -0.000010275
 O      1.443223     -2.845864      0.718438    0.00  -0.008847198  -0.001378303  -0.003096183
26
 Energy =      -0.276406593528
 C     -0.479895      2.018111      0.836565    0.00   0.006095298  -0.006084575  -0.004958436
 C     -1.865951      1.970982      0.181273    0.00  -0.003088135  -0.001110829   0.001757378
 C     -1.941660      0.944774     -0.953097    0.00  -0.002601848  -0.000974021  -0.000520526
 C     -1.968396     -0.503798     -0.454067    0.00  -0.000723895   0.007959099  -0.001097826
 C     -0.819528     -0.944257      0.405130    0.00   0.001895164   0.006167475   0.007247287
 C      0.001156      0.741427      1.502186    0.00   0.005647467  -0.018341843  -0.005164377
 H     -2.852611      1.121390     -1.559788    0.00  -0.000022448  -0.000279937  -0.000422753
 H     -2.651340      1.778632      0.935786    0.00  -0.000763468  -0.000165972   0.000309394
 H     -2.089287      2.978185     -0.229756    0.00   0.000052434   0.000309735   0.000552157
 H      0.271299      2.291554      0.059821    0.00   0.000651373  -0.000205189  -0.000455727
 H     -0.457567      2.835487      1.585720    0.00   0.001034904  -0.000197543  -0.000704823
 H     -2.905903     -0.659177      0.147363    0.00   0.000191843   0.000929649  -0.000270546
 H     -0.744490      0.313329      2.202499    0.00   0.000238509  -0.002775600  -0.000249121
 H      0.945908      0.868179      2.058673    0.00   0.000458873  -0.001364371  -0.002093469
 H     -1.082151      1.086340     -1.643078    0.00  -0.000388134  -0.000341106   0.000070850
 O     -0.878430     -1.886274      1.179334    0.00  -0.003885122   0.008566615   0.003029369
 C     -1.909997     -1.515960     -1.597017    0.00   0.001569595   0.008477928  -0.003414560
 H     -1.972092     -2.549187     -1.224824    0.00   0.000172417   0.000909344  -0.000325138
 H     -2.735882     -1.375683     -2.301907    0.00   0.000194985   0.000619610  -0.000489634
 H     -0.970314     -1.424384     -2.165592    0.00   0.000056265   0.000573297  -0.000204430
 H      0.727000     -2.363074      1.246202    0.00  -0.000163081  -0.001913172  -0.001300604
 O      0.371472     -0.206091      0.441875    0.00   0.020399178  -0.005809167   0.018865715
 O      1.510289     -1.309396     -0.970180    0.00  -0.009905059   0.007265441  -0.001997377
 C      1.912568     -2.314458     -0.427766    0.00  -0.008309533  -0.000207401  -0.004563493
 H      2.715191     -2.971558     -0.780971    0.00  -0.000779434  -0.000129024  -0.000146519
 O      1.447632     -2.848401      0.717582    0.00  -0.008028148  -0.001878441  -0.003452790
26
 Energy =      -0.279273856102
 C     -0.478054      2.025991      0.836645    0.00   0.005982137  -0.005780516  -0.004601233
 C     -1.864592      1.968844      0.182965    0.00  -0.002953022  -0.001003221   0.001795556
 C     -1.939566      0.943605     -0.952908    0.00  -0.002717527  -0.001017624  -0.000518969
 C     -1.971385     -0.506977     -0.458712    0.00  -0.000798516   0.007174798  -0.000923897
 C     -0.826341     -0.947109      0.406998    0.00   0.002840820   0.004312905   0.007051575
 C      0.008903      0.753706      1.508251    0.00   0.005857627  -0.016430840  -0.004611653
 H     -2.848644      1.124091     -1.561332    0.00  -0.000053118  -0.000273043  -0.000431191
 H     -2.647259      1.772158      0.939176    0.00  -0.000773667  -0.000145725   0.000315934
 H     -2.094366      2.974990     -0.227459    0.00   0.000067272   0.000323873   0.000578036
 H      0.270846      2.299038      0.057747    0.00   0.000594295  -0.000195164  -0.000415582
 H     -0.459185      2.847115      1.581664    0.00   0.000994490  -0.000192348  -0.000693061
 H     -2.911190     -0.661187      0.139569    0.00   0.000152724   0.000907451  -0.000257766
 H     -0.728907      0.328976      2.217766    0.00   0.000291446  -0.002621757  -0.000225429
 H      0.961243      0.885302      2.051005    0.00   0.000361468  -0.001109081  -0.001996783
 H     -1.077985      1.084596     -1.640375    0.00  -0.000407702  -0.000346328   0.000076444
 O     -0.880962     -1.891292      1.177359    0.00  -0.003689564   0.008087826   0.002535255
 C     -1.913541     -1.517085     -1.603545    0.00   0.001574685   0.007944716  -0.003383167
 H     -1.976914     -2.550776     -1.232896    0.00   0.000178636   0.000869919  -0.000322430
 H     -2.738373     -1.374909     -2.309254    0.00   0.000234187   0.000552087  -0.000467631
 H     -0.973025     -1.425838     -2.170701    0.00   0.000053170   0.000553375  -0.000202688
 H      0.743625     -2.351451      1.247257    0.00  -0.000128294  -0.001393312  -0.001161039
 O      0.360623     -0.199909      0.452424    0.00   0.017052320  -0.004263136   0.016837321
 O      1.511772     -1.315615     -0.973546    0.00  -0.008753081   0.006307463  -0.000896147
 C      1.918577     -2.318282     -0.430557    0.00  -0.007896309   0.000112674  -0.004152780
 H      2.721136     -2.976125     -0.781896    0.00  -0.000691764  -0.000044185  -0.000225057
 O      1.452529     -2.850646      0.716677    0.00  -0.007372712  -0.002330806  -0.003703618
26
 Energy =      -0.281862044154
 C     -0.476275      2.034308      0.836760    0.00   0.005755593  -0.005359162  -0.004277001
 C     -1.863254      1.966521      0.184800    0.00  -0.002782486  -0.000884272   0.001832455
 C     -1.937166      0.942271     -0.952670    0.00  -0.002775423  -0.001075558  -0.000528387
 C     -1.974329     -0.510237     -0.463270    0.00  -0.000776522   0.006394214  -0.000735818
 C     -0.833345     -0.948964      0.409798    0.00   0.003394194   0.003049287   0.006772459
 C      0.016220      0.766349      1.514130    0.00   0.005740132  -0.014535363  -0.004341108
 H     -2.844065      1.126812     -1.563168    0.00  -0.000082746  -0.000263518  -0.000437893
 H     -2.642883      1.764828      0.942841    0.00  -0.000771393  -0.000126268   0.000318049
 H     -2.100269      2.971441     -0.224800    0.00   0.000078885   0.000328558   0.000596406
 H      0.270388      2.306714      0.055669    0.00   0.000557458  -0.000181886  -0.000383448
 H     -0.460819      2.859391      1.577331    0.00   0.000931535  -0.000179527  -0.000654690
 H     -2.916719     -0.663565      0.131277    0.00   0.000130974   0.000866494  -0.000242887
 H     -0.713209      0.345694      2.233576    0.00   0.000325314  -0.002426262  -0.000229513
 H      0.976663      0.901853      2.041922    0.00   0.000294766  -0.000896143  -0.001860506
 H     -1.073237      1.082531     -1.637298    0.00  -0.000421723  -0.000353660   0.000081246
 O     -0.883528     -1.896443      1.175157    0.00  -0.003388656   0.007607449   0.002162322
 C     -1.917158     -1.518083     -1.610374    0.00   0.001576762   0.007266676  -0.003289560
 H     -1.982021     -2.552274     -1.241483    0.00   0.000183501   0.000820005  -0.000315677
 H     -2.741020     -1.373482     -2.316708    0.00   0.000262952   0.000478558  -0.000444532
 H     -0.975847     -1.427317     -2.176134    0.00   0.000054320   0.000515938  -0.000198363
 H      0.757973     -2.341558      1.246316    0.00  -0.000114277  -0.000960889  -0.001007086
 O      0.349972     -0.194559      0.462578    0.00   0.014475001  -0.003268412   0.015159389
 O      1.512997     -1.321884     -0.976379    0.00  -0.007736470   0.005484516  -0.000087170
 C      1.924626     -2.322473     -0.433543    0.00  -0.007411130   0.000396717  -0.003773173
 H      2.727039     -2.980605     -0.783892    0.00  -0.000618534   0.000010681  -0.000265666
 O      1.457948     -2.852630      0.715755    0.00  -0.006882028  -0.002708172  -0.003849848
26
 Energy =      -0.284204182895
 C     -0.474580      2.042939      0.836826    0.00   0.005455773  -0.004859594  -0.003989818
 C     -1.861986      1.964028      0.186775    0.00  -0.002581823  -0.000759970   0.001862300
 C     -1.934451      0.940812     -0.952378    0.00  -0.002772563  -0.001139855  -0.000549726
 C     -1.977244     -0.513492     -0.467663    0.00  -0.000680623   0.005641139  -0.000548898
 C     -0.840529     -0.950067      0.413308    0.00   0.003633727   0.002216154   0.006415892
 C      0.023206      0.779173      1.519577    0.00   0.005447201  -0.012741698  -0.004205570
 H     -2.838837      1.129526     -1.565344    0.00  -0.000109088  -0.000252736  -0.000444224
 H     -2.638260      1.756687      0.946763    0.00  -0.000758363  -0.000108701   0.000316045
 H     -2.106970      2.967567     -0.221740    0.00   0.000088043   0.000325537   0.000607633
 H      0.269823      2.314701      0.053531    0.00   0.000534832  -0.000166530  -0.000357797
 H     -0.462504      2.871977      1.572870    0.00   0.000856636  -0.000161108  -0.000599165
 H     -2.922459     -0.666128      0.122650    0.00   0.000121630   0.000809158  -0.000226012
 H     -0.697554      0.363273      2.249416    0.00   0.000346225  -0.002213278  -0.000245759
 H      0.991876      0.917803      2.031782    0.00   0.000248179  -0.000720204  -0.001706802
 H     -1.067865      1.080173     -1.633798    0.00  -0.000429731  -0.000362553   0.000085209
 O     -0.886179     -1.901670      1.172767    0.00  -0.003028255   0.007140199   0.001890209
 C     -1.920768     -1.518879     -1.617355    0.00   0.001575723   0.006502047  -0.003146696
 H     -1.987347     -2.553620     -1.250476    0.00   0.000186527   0.000761977  -0.000305631
 H     -2.743714     -1.371368     -2.324164    0.00   0.000280000   0.000404335  -0.000422177
 H     -0.978693     -1.428693     -2.181736    0.00   0.000058209   0.000464398  -0.000191051
 H      0.770082     -2.333586      1.243685    0.00  -0.000114708  -0.000618967  -0.000856095
 O      0.339499     -0.189842      0.472494    0.00   0.012438774  -0.002619628   0.013729167
 O      1.513987     -1.328167     -0.978742    0.00  -0.006833982   0.004794645   0.000481529
 C      1.930645     -2.326972     -0.436717    0.00  -0.006875555   0.000618088  -0.003414536
 H      2.732897     -2.985020     -0.786697    0.00  -0.000553769   0.000044371  -0.000283335
 O      1.463925     -2.854422      0.714846    0.00  -0.006533023  -0.002997227  -0.003894690
26
 Energy =      -0.286324951102
 C     -0.472989      2.051786      0.836760    0.00   0.005116647  -0.004318553  -0.003732383
 C     -1.860831      1.961383      0.188888    0.00  -0.002355515  -0.000635188   0.001879013
 C     -1.931416      0.939274     -0.952032    0.00  -0.002711903  -0.001203013  -0.000581502
 C     -1.980149     -0.516667     -0.471835    0.00  -0.000535390   0.004926222  -0.000375914
 C     -0.847870     -0.950643      0.417327    0.00   0.003643336   0.001676478   0.006000378
 C      0.029925      0.792064      1.524454    0.00   0.005076632  -0.011090617  -0.004111259
 H     -2.832922      1.132236     -1.567913    0.00  -0.000130969  -0.000241548  -0.000450321
 H     -2.633427      1.747790      0.950931    0.00  -0.000736401  -0.000093351   0.000310187
 H     -2.114451      2.963402     -0.218239    0.00   0.000095485   0.000316805   0.000612221
 H      0.269064      2.323101      0.051270    0.00   0.000519397  -0.000149129  -0.000336349
 H     -0.464285      2.884618      1.568390    0.00   0.000778066  -0.000139237  -0.000536211
 H     -2.928371     -0.668696      0.113854    0.00   0.000120274   0.000739665  -0.000207789
 H     -0.682053      0.381564      2.264946    0.00   0.000357232  -0.001998509  -0.000264459
 H      1.006707      0.933163      2.020839    0.00   0.000214476  -0.000574500  -0.001550529
 H     -1.061830      1.077562     -1.629826    0.00  -0.000431577  -0.000371798   0.000088323
 O     -0.888975     -1.906937      1.170224    0.00  -0.002646017   0.006691912   0.001693318
 C     -1.924307     -1.519410     -1.624364    0.00   0.001570351   0.005699768  -0.002967716
 H     -1.992828     -2.554758     -1.259767    0.00   0.000187695   0.000698069  -0.000292665
 H     -2.746341     -1.368560     -2.331560    0.00   0.000285945   0.000333020  -0.000401222
 H     -0.981471     -1.429848     -2.187346    0.00   0.000063071   0.000403132  -0.000180638
 H      0.780171     -2.327560      1.239694    0.00  -0.000125611  -0.000360987  -0.000717845
 O      0.329178     -0.185619      0.482283    0.00   0.010771255  -0.002170801   0.012474318
 O      1.514757     -1.334448     -0.980710    0.00  -0.006030230   0.004228412   0.000862220
 C      1.936587     -2.331712     -0.440049    0.00  -0.006312306   0.000766208  -0.003076542
 H      2.738713     -2.989356     -0.790126    0.00  -0.000494272   0.000063349  -0.000288045
 O      1.470495     -2.856107      0.713977    0.00  -0.006289668  -0.003195808  -0.003848588
26
 Energy =      -0.288244148196
 C     -0.471526      2.060775      0.836489    0.00   0.004762485  -0.003765407  -0.003493438
 C     -1.859835      1.958612      0.191133    0.00  -0.002107841  -0.000513910   0.001877802
 C     -1.928060      0.937713     -0.951637    0.00  -0.002600205  -0.001259091  -0.000620796
 C     -1.983062     -0.519685     -0.475742    0.00  -0.000362618   0.004253854  -0.000226024
 C     -0.855326     -0.950874      0.421690    0.00   0.003498378   0.001327052   0.005549133
 C      0.036405      0.804955      1.528689    0.00   0.004682930  -0.009593003  -0.004008389
 H     -2.826280      1.134961     -1.570933    0.00  -0.000147995  -0.000230380  -0.000455374
 H     -2.628421      1.738192      0.955336    0.00  -0.000707012  -0.000080047   0.000300664
 H     -2.122704      2.958982     -0.214268    0.00   0.000101653   0.000304082   0.000610535
 H      0.268045      2.331967      0.048828    0.00   0.000505379  -0.000129253  -0.000316945
 H     -0.466205      2.897146      1.563941    0.00   0.000700910  -0.000115966  -0.000473465
 H     -2.934402     -0.671111      0.105044    0.00   0.000123556   0.000662887  -0.000189167
 H     -0.666782      0.400456      2.279966    0.00   0.000359777  -0.001790977  -0.000280480
 H      1.021062      0.947966      2.009247    0.00   0.000189207  -0.000452821  -0.001400005
 H     -1.055098      1.074739     -1.625334    0.00  -0.000427244  -0.000379899   0.000090545
 O     -0.891958     -1.912226      1.167558    0.00  -0.002270769   0.006263120   0.001547791
 C     -1.927724     -1.519621     -1.631288    0.00   0.001558496   0.004897391  -0.002764338
 H     -1.998403     -2.555633     -1.269247    0.00   0.000187269   0.000630487  -0.000276965
 H     -2.748792     -1.365075     -2.338857    0.00   0.000282551   0.000266706  -0.000381531
 H     -0.984094     -1.430685     -2.192805    0.00   0.000067286   0.000336759  -0.000167328
 H      0.788557     -2.323418      1.234666    0.00  -0.000143721  -0.000174869  -0.000596180
 O      0.318993     -0.181806      0.492013    0.00   0.009356528  -0.001833955   0.011348103
 O      1.515314     -1.340720     -0.982364    0.00  -0.005314558   0.003772270   0.001102393
 C      1.942431     -2.336625     -0.443503    0.00  -0.005742995   0.000842357  -0.002762113
 H      2.744504     -2.993573     -0.794049    0.00  -0.000438774   0.000071656  -0.000285786
 O      1.477680     -2.857781      0.713172    0.00  -0.006112672  -0.003309041  -0.003728643
26
 Energy =       -0.28997866169
 C     -0.470221      2.069851      0.835957    0.00   0.004408294  -0.003221268  -0.003262763
 C     -1.859041      1.955751      0.193502    0.00  -0.001843463  -0.000399284   0.001855761
 C     -1.924393      0.936185     -0.951197    0.00  -0.002446025  -0.001303830  -0.000663881
 C     -1.985988     -0.522478     -0.479351    0.00  -0.000179641   0.003626242  -0.000104456
 C     -0.862856     -0.950901      0.426276    0.00   0.003259517   0.001095984   0.005084120
 C      0.042649      0.817798      1.532257    0.00   0.004292808  -0.008244702  -0.003875857
 H     -2.818880      1.137735     -1.574455    0.00  -0.000160211  -0.000219403  -0.000458090
 H     -2.623272      1.727956      0.959964    0.00  -0.000671261  -0.000068423   0.000287636
 H     -2.131727      2.954346     -0.209803    0.00   0.000106654   0.000288622   0.000602716
 H      0.266706      2.341297      0.046147    0.00   0.000489058  -0.000106663  -0.000298000
 H     -0.468286      2.909460      1.559535    0.00   0.000627655  -0.000093003  -0.000415696
 H     -2.940504     -0.673229      0.096350    0.00   0.000129164   0.000583409  -0.000171116
 H     -0.651786      0.419850      2.294360    0.00   0.000354828  -0.001595168  -0.000291625
 H      1.034886      0.962247      1.997091    0.00   0.000169785  -0.000350364  -0.001258907
 H     -1.047651      1.071761     -1.620283    0.00  -0.000416798  -0.000385398   0.000091805
 O     -0.895164     -1.917529      1.164781    0.00  -0.001922595   0.005851845   0.001434015
 C     -1.930977     -1.519465     -1.638033    0.00   0.001537617   0.004122134  -0.002546255
 H     -2.004020     -2.556198     -1.278806    0.00   0.000185607   0.000561396  -0.000258710
 H     -2.750965     -1.360939     -2.346037    0.00   0.000272006   0.000206407  -0.000362634
 H     -0.986483     -1.431136     -2.197964    0.00   0.000069632   0.000269499  -0.000151570
 H      0.795592     -2.321057      1.228893    0.00  -0.000165860  -0.000046430  -0.000491412
 O      0.308929     -0.178364      0.501725    0.00   0.008121900  -0.001563163   0.010321564
 O      1.515658     -1.346988     -0.983779    0.00  -0.004679382   0.003411114   0.001242417
 C      1.948175     -2.341648     -0.447041    0.00  -0.005186081   0.000854874  -0.002474083
 H      2.750294     -2.997611     -0.798375    0.00  -0.000387075   0.000071515  -0.000279866
 O      1.485499     -2.859528      0.712450    0.00  -0.005966133  -0.003345941  -0.003555113
26
 Energy =      -0.291543546469
 C     -0.469106      2.078966      0.835121    0.00   0.004062023  -0.002700480  -0.003033419
 C     -1.858493      1.952839      0.195983    0.00  -0.001567804  -0.000293660   0.001811680
 C     -1.920422      0.934749     -0.950723    0.00  -0.002258312  -0.001334238  -0.000706495
 C     -1.988928     -0.524981     -0.482642    0.00   0.000000619   0.003045191  -0.000012838
 C     -0.870422     -0.950825      0.430996    0.00   0.002971784   0.000935822   0.004622617
 C      0.048642      0.830557      1.535151    0.00   0.003917649  -0.007036266  -0.003708375
 H     -2.810703      1.140587     -1.578515    0.00  -0.000167846  -0.000208646  -0.000457117
 H     -2.618022      1.717157      0.964792    0.00  -0.000629885  -0.000058127   0.000271302
 H     -2.141514      2.949537     -0.204834    0.00   0.000110349   0.000271261   0.000588718
 H      0.264998      2.351034      0.043167    0.00   0.000468646  -0.000081670  -0.000278597
 H     -0.470528      2.921512      1.555142    0.00   0.000559206  -0.000071563  -0.000365079
 H     -2.946631     -0.674930      0.087875    0.00   0.000135522   0.000504978  -0.000154395
 H     -0.637093      0.439650      2.308061    0.00   0.000343445  -0.001412857  -0.000297311
 H      1.048143      0.976046      1.984417    0.00   0.000154692  -0.000263787  -0.001128152
 H     -1.039487      1.068683     -1.614651    0.00  -0.000400432  -0.000387089   0.000092054
 O     -0.898612     -1.922847      1.161908    0.00  -0.001613443   0.005455480   0.001336860
 C     -1.934031     -1.518910     -1.644519    0.00   0.001505403   0.003392939  -0.002321127
 H     -2.009640     -2.556403     -1.288330    0.00   0.000183022   0.000492806  -0.000238182
 H     -2.752773     -1.356180     -2.353083    0.00   0.000256408   0.000152487  -0.000344050
 H     -0.988561     -1.431165     -2.202686    0.00   0.000069374   0.000204773  -0.000133939
 H      0.801617     -2.320370      1.222630    0.00  -0.000189000   0.000038198  -0.000402276
 O      0.298987     -0.175281      0.511437    0.00   0.007023628  -0.001337825   0.009377135
 O      1.515776     -1.353272     -0.985024    0.00  -0.004118659   0.003130057   0.001314617
 C      1.953832     -2.346721     -0.450623    0.00  -0.004655797   0.000815175  -0.002213952
 H      2.756135     -3.001401     -0.803026    0.00  -0.000339392   0.000064092  -0.000272027
 O      1.493956     -2.861423      0.711822    0.00  -0.005821198  -0.003317051  -0.003347653
26
 Energy =      -0.292952595318
 C     -0.468218      2.088075      0.833949    0.00   0.003727126  -0.002212805  -0.002802028
 C     -1.858230      1.949928      0.198559    0.00  -0.001287183  -0.000198672   0.001745503
 C     -1.916167      0.933465     -0.950222    0.00  -0.002045659  -0.001348065  -0.000744047
 C     -1.991871     -0.527130     -0.485596    0.00   0.000168913   0.002512548   0.000050161
 C     -0.877986     -0.950718      0.435791    0.00   0.002666367   0.000816523   0.004176049
 C      0.054359      0.843196      1.537377    0.00   0.003561534  -0.005957842  -0.003508064
 H     -2.801751      1.143546     -1.583136    0.00  -0.000171183  -0.000198045  -0.000451308
 H     -2.612717      1.705889      0.969786    0.00  -0.000583486  -0.000048925   0.000251956
 H     -2.152047      2.944609     -0.199373    0.00   0.000112494   0.000252556   0.000568420
 H      0.262877      2.361085      0.039832    0.00   0.000443761  -0.000055194  -0.000258364
 H     -0.472910      2.933275      1.550720    0.00   0.000495720  -0.000052368  -0.000321916
 H     -2.952741     -0.676109      0.079694    0.00   0.000141509   0.000430310  -0.000139422
 H     -0.622728      0.459757      2.321034    0.00   0.000326925  -0.001244397  -0.000297714
 H      1.060800      0.989398      1.971257    0.00   0.000142943  -0.000190870  -0.001007294
 H     -1.030631      1.065572     -1.608429    0.00  -0.000378517  -0.000384084   0.000091291
 O     -0.902309     -1.928187      1.158941    0.00  -0.001348245   0.005071893   0.001245153
 C     -1.936855     -1.517929     -1.650673    0.00   0.001460253   0.002722481  -0.002094858
 H     -2.015237     -2.556208     -1.297704    0.00   0.000179723   0.000426474  -0.000215800
 H     -2.754138     -1.350828     -2.359980    0.00   0.000237503   0.000104962  -0.000325470
 H     -0.990267     -1.430768     -2.206849    0.00   0.000066230   0.000145039  -0.000115049
 H      0.806925     -2.321255      1.216083    0.00  -0.000210547   0.000091148  -0.000327050
 O      0.289182     -0.172561      0.521165    0.00   0.006035951  -0.001150285   0.008504259
 O      1.515651     -1.359600     -0.986161    0.00  -0.003626928   0.002915479   0.001343330
 C      1.959434     -2.351794     -0.454210    0.00  -0.004161783   0.000735102  -0.001981849
 H      2.762105     -3.004861     -0.807920    0.00  -0.000295972   0.000050118  -0.000263181
 O      1.503046     -2.863521      0.711292    0.00  -0.005657447  -0.003233081  -0.003122708
26
 Energy =       -0.29421862068
 C     -0.467595      2.097133      0.832425    0.00   0.003404707  -0.001765292  -0.002568072
 C     -1.858293      1.947078      0.201208    0.00  -0.001008652  -0.000115407   0.001657811
 C     -1.911654      0.932390     -0.949704    0.00  -0.001816046  -0.001343441  -0.000771925
 C     -1.994800     -0.528866     -0.488203    0.00   0.000318815   0.002030097   0.000088023
 C     -0.885518     -0.950627      0.440619    0.00   0.002363421   0.000719831   0.003750467
 C      0.059767      0.855678      1.538950    0.00   0.003225680  -0.005000834  -0.003279836
 H     -2.792051      1.146638     -1.588310    0.00  -0.000170510  -0.000187453  -0.000439839
 H     -2.607419      1.694273      0.974901    0.00  -0.000532713  -0.000040713   0.000230017
 H     -2.163286      2.939619     -0.193449    0.00   0.000112857   0.000232907   0.000541743
 H      0.260305      2.371330      0.036095    0.00   0.000414870  -0.000028599  -0.000237313
 H     -0.475397      2.944739      1.546219    0.00   0.000437114  -0.000035744  -0.000285416
 H     -2.958798     -0.676681      0.071860    0.00   0.000146254   0.000361154  -0.000126250
 H     -0.608714      0.480067      2.333250    0.00   0.000306705  -0.001089515  -0.000293290
 H      1.072823      1.002336      1.957651    0.00   0.000133788  -0.000130112  -0.000895388
 H     -1.021134      1.062499     -1.601636    0.00  -0.000351637  -0.000375810   0.000089564
 O     -0.906249     -1.933556      1.155879    0.00  -0.001126485   0.004699941   0.001151041
 C     -1.939420     -1.516505     -1.656433    0.00   0.001401520   0.002118708  -0.001871989
 H     -2.020799     -2.555577     -1.306811    0.00   0.000175811   0.000363838  -0.000192114
 H     -2.754994     -1.344909     -2.366710    0.00   0.000216628   0.000063678  -0.000306790
 H     -0.991541     -1.429969     -2.210350    0.00   0.000060295   0.000091840  -0.000095487
 H      0.811754     -2.323622      1.209408    0.00  -0.000228599   0.000122222  -0.000264050
 O      0.279538     -0.170219      0.530919    0.00   0.005143881  -0.000998294   0.007696493
 O      1.515258     -1.366016     -0.987246    0.00  -0.003198825   0.002755464   0.001345636
 C      1.965019     -2.356820     -0.457770    0.00  -0.003709278   0.000625527  -0.001776811
 H      2.768309     -3.007894     -0.812964    0.00  -0.000256888   0.000030289  -0.000253824
 O      1.512756     -2.865860      0.710855    0.00  -0.005462714  -0.003104282  -0.002892405
26
 Energy =      -0.295353584143
 C     -0.467271      2.106095      0.830538    0.00   0.003094943  -0.001363373  -0.002332959
 C     -1.858714      1.944354      0.203903    0.00  -0.000739609  -0.000044578   0.001549547
 C     -1.906923      0.931578     -0.949177    0.00  -0.001576824  -0.001318790  -0.000785930
 C     -1.997696     -0.530138     -0.490456    0.00   0.000446012   0.001599261   0.000105542
 C     -0.892986     -0.950577      0.445452    0.00   0.002074940   0.000635151   0.003347926
 C      0.064833      0.867964      1.539895    0.00   0.002910518  -0.004157957  -0.003029233
 H     -2.781661      1.149878     -1.594009    0.00  -0.000166100  -0.000176647  -0.000422241
 H     -2.602196      1.682462      0.980079    0.00  -0.000478368  -0.000033478   0.000206036
 H     -2.175165      2.934637     -0.187120    0.00   0.000111316   0.000212641   0.000508754
 H      0.257258      2.381639      0.031920    0.00   0.000382856  -0.000003436  -0.000215671
 H     -0.477950      2.955897      1.541593    0.00   0.000383281  -0.000021760  -0.000254320
 H     -2.964772     -0.676578      0.064411    0.00   0.000149053   0.000298486  -0.000114638
 H     -0.595089      0.500474      2.344697    0.00   0.000284223  -0.000947715  -0.000284550
 H      1.084171      1.014886      1.943652    0.00   0.000126576  -0.000080411  -0.000791439
 H     -1.011083      1.059539     -1.594308    0.00  -0.000320569  -0.000361972   0.000086925
 O     -0.910415     -1.938962      1.152713    0.00  -0.000944030   0.004339538   0.001049460
 C     -1.941702     -1.514637     -1.661742    0.00   0.001329545   0.001585975  -0.001656046
 H     -2.026329     -2.554488     -1.315543    0.00   0.000171310   0.000306001  -0.000167762
 H     -2.755278     -1.338455     -2.373260    0.00   0.000194758   0.000028388  -0.000288061
 H     -0.992333     -1.428819     -2.213094    0.00   0.000051939   0.000045961  -0.000075783
 H      0.816278     -2.327390      1.202714    0.00  -0.000242026   0.000138876  -0.000211733
 O      0.270090     -0.168272      0.540716    0.00   0.004338842  -0.000881025   0.006949604
 O      1.514562     -1.372570     -0.988328    0.00  -0.002828935   0.002639829   0.001332526
 C      1.970642     -2.361759     -0.461263    0.00  -0.003299699   0.000495844  -0.001597073
 H      2.774888     -3.010390     -0.818047    0.00  -0.000221974   0.000005460  -0.000244231
 O      1.523060     -2.868463      0.710501    0.00  -0.005231979  -0.002940270  -0.002664652
26
 Energy =      -0.296368660797
 C     -0.467274      2.114917      0.828290    0.00   0.002797850  -0.001011217  -0.002099221
 C     -1.859517      1.941824      0.206607    0.00  -0.000487237   0.000013340   0.001422008
 C     -1.902029      0.931078     -0.948647    0.00  -0.001334738  -0.001273019  -0.000782797
 C     -2.000537     -0.530905     -0.492352    0.00   0.000547813   0.001220801   0.000108038
 C     -0.900357     -0.950577      0.450267    0.00   0.001807239   0.000556695   0.002968128
 C      0.069520      0.880016      1.540247    0.00   0.002616458  -0.003422690  -0.002761601
 H     -2.770681      1.153269     -1.600173    0.00  -0.000158225  -0.000165340  -0.000398404
 H     -2.597127      1.670640      0.985251    0.00  -0.000421452  -0.000027250   0.000180680
 H     -2.187581      2.929739     -0.180476    0.00   0.000107910   0.000192045   0.000469753
 H      0.253728      2.391883      0.027293    0.00   0.000348725   0.000018819  -0.000193781
 H     -0.480527      2.966739      1.536805    0.00   0.000334139  -0.000010342  -0.000227314
 H     -2.970628     -0.675759      0.057372    0.00   0.000149362   0.000242724  -0.000104170
 H     -0.581899      0.520872      2.355361    0.00   0.000260791  -0.000818456  -0.000271984
 H      1.094798      1.027072      1.929341    0.00   0.000120719  -0.000040848  -0.000694580
 H     -1.000599      1.056769     -1.586509    0.00  -0.000286248  -0.000342535   0.000083389
 O     -0.914781     -1.944409      1.149426    0.00  -0.000794984   0.003991409   0.000937718
 C     -1.943682     -1.512330     -1.666555    0.00   0.001245543   0.001125829  -0.001449826
 H     -2.031837     -2.552923     -1.323793    0.00   0.000166206   0.000253740  -0.000143431
 H     -2.754938     -1.331492     -2.379618    0.00   0.000172601  -0.000001218  -0.000269423
 H     -0.992601     -1.427389     -2.215002    0.00   0.000041709   0.000007630  -0.000056406
 H      0.820613     -2.332489      1.196063    0.00  -0.000250431   0.000146541  -0.000168677
 O      0.260882     -0.166733      0.550577    0.00   0.003616119  -0.000797192   0.006260351
 O      1.513527     -1.379325     -0.989456    0.00  -0.002511830   0.002559893   0.001310319
 C      1.976364     -2.366574     -0.464658    0.00  -0.002931445   0.000354000  -0.001440305
 H      2.782009     -3.012223     -0.823041    0.00  -0.000190819  -0.000023319  -0.000234531
 O      1.533926     -2.871340      0.710210    0.00  -0.004965777  -0.002750042  -0.002443931
26
 Energy =      -0.297274292942
 C     -0.467624      2.123553      0.825695    0.00   0.002513572  -0.000711597  -0.001869970
 C     -1.860713      1.939566      0.209278    0.00  -0.000257909   0.000058085   0.001277041
 C     -1.897046      0.930929     -0.948117    0.00  -0.001095917  -0.001205856  -0.000760667
 C     -2.003301     -0.531136     -0.493892    0.00   0.000622858   0.000894546   0.000100681
 C     -0.907597     -0.950622      0.455041    0.00   0.001562913   0.000481578   0.002609912
 C      0.073790      0.891796      1.540057    0.00   0.002344032  -0.002788671  -0.002481878
 H     -2.759251      1.156808     -1.606707    0.00  -0.000147166  -0.000153215  -0.000368592
 H     -2.592299      1.659023      0.990340    0.00  -0.000363142  -0.000022056   0.000154701
 H     -2.200393      2.925014     -0.173638    0.00   0.000102860   0.000171375   0.000425330
 H      0.249729      2.401938      0.022226    0.00   0.000313436   0.000036982  -0.000172039
 H     -0.483096      2.977258      1.531837    0.00   0.000289614  -0.000001346  -0.000203290
 H     -2.976334     -0.674211      0.050767    0.00   0.000146830   0.000193909  -0.000094376
 H     -0.569213      0.541161      2.365241    0.00   0.000237528  -0.000701191  -0.000256038
 H      1.104650      1.038915      1.914833    0.00   0.000115696  -0.000010576  -0.000604130
 H     -0.989841      1.054262     -1.578337    0.00  -0.000249721  -0.000317746   0.000078899
 O     -0.919317     -1.949894      1.145994    0.00  -0.000673293   0.003656673   0.000815092
 C     -1.945340     -1.509605     -1.670832    0.00   0.001151425   0.000737557  -0.001255582
 H     -2.037350     -2.550879     -1.331473    0.00   0.000160485   0.000207523  -0.000119804
 H     -2.753923     -1.324054     -2.385777    0.00   0.000150685  -0.000025508  -0.000251031
 H     -0.992309     -1.425769     -2.216005    0.00   0.000030259  -0.000023297  -0.000037759
 H      0.824826     -2.338863      1.189475    0.00  -0.000253998   0.000149039  -0.000133544
 O      0.251968     -0.165613      0.560532    0.00   0.002973294  -0.000744272   0.005625802
 O      1.512107     -1.386355     -0.990683    0.00  -0.002242211   0.002508178   0.001282137
 C      1.982250     -2.371227     -0.467916    0.00  -0.002600817   0.000206736  -0.001303835
 H      2.789864     -3.013247     -0.827798    0.00  -0.000162797  -0.000054845  -0.000224739
 O      1.545309     -2.874490      0.709966    0.00  -0.004668515  -0.002542005  -0.002232320
26
 Energy =      -0.298080266928
 C     -0.468325      2.131965      0.822782    0.00   0.002242418  -0.000465523  -0.001648573
 C     -1.862294      1.937653      0.211861    0.00  -0.000056653   0.000089652   0.001117332
 C     -1.892064      0.931154     -0.947592    0.00  -0.000865847  -0.001118243  -0.000719439
 C     -2.005967     -0.530816     -0.495081    0.00   0.000670995   0.000619212   0.000087957
 C     -0.914662     -0.950696      0.459750    0.00   0.001342243   0.000408643   0.002272354
 C      0.077606      0.903267      1.539396    0.00   0.002093826  -0.002249244  -0.002194638
 H     -2.747568      1.160474     -1.613490    0.00  -0.000133252  -0.000139970  -0.000333472
 H     -2.587799      1.647851      0.995260    0.00  -0.000304753  -0.000017894   0.000128900
 H     -2.213422      2.920562     -0.166763    0.00   0.000096553   0.000150865   0.000376421
 H      0.245301      2.411692      0.016759    0.00   0.000277802   0.000050307  -0.000150856
 H     -0.485629      2.987442      1.526687    0.00   0.000249601   0.000005400  -0.000181462
 H     -2.981853     -0.671952      0.044620    0.00   0.000141339   0.000151841  -0.000084843
 H     -0.557122      0.561239      2.374345    0.00   0.000215333  -0.000595377  -0.000237120
 H      1.113677      1.050427      1.900279    0.00   0.000111064   0.000011243  -0.000519590
 H     -0.979012      1.052085     -1.569924    0.00  -0.000212109  -0.000288182   0.000073335
 O     -0.923984     -1.955408      1.142382    0.00  -0.000573902   0.003336394   0.000682427
 C     -1.946667     -1.506490     -1.674546    0.00   0.001049646   0.000418575  -0.001075113
 H     -2.042904     -2.548364     -1.338502    0.00   0.000154151   0.000167531  -0.000097520
 H     -2.752187     -1.316172     -2.391740    0.00   0.000129416  -0.000044900  -0.000233007
 H     -0.991429     -1.424060     -2.216044    0.00   0.000018283  -0.000047204  -0.000020191
 H      0.828931     -2.346471      1.182941    0.00  -0.000253330   0.000148986  -0.000105104
 O      0.243403     -0.164911      0.570618    0.00   0.002409182  -0.000718280   0.005043068
 O      1.510252     -1.393741     -0.992062    0.00  -0.002015090   0.002478117   0.001249276
 C      1.988368     -2.375681     -0.471003    0.00  -0.002302916   0.000059838  -0.001184892
 H      2.798666     -3.013295     -0.832154    0.00  -0.000137104  -0.000087835  -0.000214770
 O      1.557162     -2.877903      0.709745    0.00  -0.004346897  -0.002323951  -0.002030478
26
 Energy =      -0.298795831792
 C     -0.469369      2.140115      0.819590    0.00   0.001984842  -0.000271916  -0.001438469
 C     -1.864237      1.936167      0.214295    0.00   0.000113209   0.000108407   0.000946671
 C     -1.887197      0.931771     -0.947075    0.00  -0.000649372  -0.001012655  -0.000660906
 C     -2.008513     -0.529946     -0.495925    0.00   0.000693262   0.000392323   0.000073365
 C     -0.921500     -0.950775      0.464363    0.00   0.001144205   0.000337776   0.001955400
 C      0.080924      0.914397      1.538353    0.00   0.001866372  -0.001797160  -0.001904250
 H     -2.735876      1.164228     -1.620366    0.00  -0.000116898  -0.000125391  -0.000294144
 H     -2.583716      1.637396      0.999917    0.00  -0.000247685  -0.000014718   0.000104078
 H     -2.226445      2.916495     -0.160038    0.00   0.000089494   0.000130739   0.000324321
 H      0.240519      2.421045      0.010961    0.00   0.000242461   0.000058576  -0.000130641
 H     -0.488101      2.997283      1.521367    0.00   0.000213944   0.000010091  -0.000161415
 H     -2.987145     -0.669033      0.038963    0.00   0.000133036   0.000116155  -0.000075288
 H     -0.545743      0.581012      2.382690    0.00   0.000194891  -0.000500464  -0.000215625
 H      1.121814      1.061612      1.885875    0.00   0.000106477   0.000025458  -0.000440635
 H     -0.968353      1.050302     -1.561439    0.00  -0.000174580  -0.000254789   0.000066553
 O     -0.928736     -1.960940      1.138548    0.00  -0.000493372   0.003031268   0.000541736
 C     -1.947656     -1.503026     -1.677678    0.00   0.000943064   0.000164681  -0.000909810
 H     -2.048537     -2.545401     -1.344825    0.00   0.000147242   0.000133672  -0.000077138
 H     -2.749694     -1.307889     -2.397510    0.00   0.000109121  -0.000059860  -0.000215414
 H     -0.989938     -1.422374     -2.215076    0.00   0.000006476  -0.000064622  -0.000003997
 H      0.832902     -2.355292      1.176425    0.00  -0.000249279   0.000148085  -0.000082287
 O      0.235244     -0.164613      0.580874    0.00   0.001922976  -0.000713876   0.004509323
 O      1.507906     -1.401576     -0.993659    0.00  -0.001825971   0.002463823   0.001212290
 C      1.994789     -2.379889     -0.473876    0.00  -0.002032462  -0.000081645  -0.001080831
 H      2.808640     -3.012176     -0.835924    0.00  -0.000112788  -0.000120990  -0.000204455
 O      1.569425     -2.881562      0.709528    0.00  -0.004008666  -0.002102969  -0.001838432
26
 Energy =      -0.299429861094
 C     -0.470727      2.147970      0.816172    0.00   0.001741472  -0.000127464  -0.001243028
 C     -1.866493      1.935183      0.216510    0.00   0.000250220   0.000115214   0.000770076
 C     -1.882570      0.932778     -0.946569    0.00  -0.000450742  -0.000893258  -0.000588661
 C     -2.010921     -0.528543     -0.496432    0.00   0.000691894   0.000210260   0.000059309
 C     -0.928050     -0.950831      0.468843    0.00   0.000967134   0.000269535   0.001660078
 C      0.083699      0.925152      1.537045    0.00   0.001662111  -0.001424447  -0.001615068
 H     -2.724477      1.168020     -1.627150    0.00  -0.000098671  -0.000109447  -0.000252130
 H     -2.580133      1.627938      1.004217    0.00  -0.000193368  -0.000012437   0.000080976
 H     -2.239209      2.912933     -0.153676    0.00   0.000082233   0.000111234   0.000270683
 H      0.235490      2.429897      0.004931    0.00   0.000207888   0.000062095  -0.000111778
 H     -0.490491      3.006773      1.515906    0.00   0.000182424   0.000012949  -0.000143092
 H     -2.992164     -0.665540      0.033832    0.00   0.000122334   0.000086376  -0.000065597
 H     -0.535225      0.600383      2.390306    0.00   0.000176694  -0.000415894  -0.000191953
 H      1.128995      1.072462      1.871872    0.00   0.000101695   0.000032944  -0.000367116
 H     -0.958136      1.048963     -1.553091    0.00  -0.000138317  -0.000218888   0.000058476
 O     -0.933515     -1.966469      1.134445    0.00  -0.000429970   0.002741538   0.000395830
 C     -1.948306     -1.499268     -1.680221    0.00   0.000834854  -0.000029722  -0.000760656
 H     -2.054295     -2.542025     -1.350400    0.00   0.000139831   0.000105609  -0.000059105
 H     -2.746413     -1.299248     -2.403096    0.00   0.000090077  -0.000070874  -0.000198253
 H     -0.987834     -1.420831     -2.213073    0.00  -0.000004505  -0.000076182   0.000010569
 H      0.836673     -2.365326      1.169869    0.00  -0.000242807   0.000147332  -0.000064241
 O      0.227542     -0.164691      0.591343    0.00   0.001513462  -0.000724737   0.004021975
 O      1.505012     -1.409954     -0.995544    0.00  -0.001671014   0.002459918   0.001171725
 C      2.001570     -2.383800     -0.476491    0.00  -0.001784413  -0.000213275  -0.000989333
 H      2.820009     -3.009677     -0.838907    0.00  -0.000088792  -0.000153032  -0.000193546
 O      1.582034     -2.885446      0.709299    0.00  -0.003661724  -0.001885347  -0.001656143
26
 Energy =      -0.299991035022
 C     -0.472350      2.155496      0.812592    0.00   0.001513212  -0.000026754  -0.001065383
 C     -1.868994      1.934775      0.218431    0.00   0.000354748   0.000111521   0.000593673
 C     -1.878324      0.934160     -0.946084    0.00  -0.000273650  -0.000765800  -0.000507717
 C     -2.013169     -0.526646     -0.496614    0.00   0.000670269   0.000068412   0.000047167
 C     -0.934241     -0.950830      0.473150    0.00   0.000809204   0.000204910   0.001388325
 C      0.085878      0.935497      1.535610    0.00   0.001481391  -0.001122450  -0.001331635
 H     -2.713705      1.171782     -1.633646    0.00  -0.000079333  -0.000092378  -0.000209298
 H     -2.577121      1.619762      1.008065    0.00  -0.000143189  -0.000010922   0.000060205
 H     -2.251427      2.910010     -0.147903    0.00   0.000075257   0.000092624   0.000217445
 H      0.230359      2.438145     -0.001216    0.00   0.000174455   0.000061634  -0.000094602
 H     -0.492766      3.015906      1.510334    0.00   0.000154780   0.000014234  -0.000126710
 H     -2.996858     -0.661588      0.029269    0.00   0.000109879   0.000061945  -0.000055832
 H     -0.525757      0.619251      2.397231    0.00   0.000161069  -0.000341101  -0.000166557
 H      1.135142      1.082952      1.858573    0.00   0.000096605   0.000034618  -0.000299052
 H     -0.948655      1.048114     -1.545122    0.00  -0.000104480  -0.000182110   0.000049197
 O     -0.938248     -1.971970      1.130022    0.00  -0.000383301   0.002467209   0.000248033
 C     -1.948625     -1.495277     -1.682176    0.00   0.000728400  -0.000171408  -0.000628195
 H     -2.060215     -2.538283     -1.355210    0.00   0.000132012   0.000082798  -0.000043727
 H     -2.742338     -1.290307     -2.408502    0.00   0.000072533  -0.000078435  -0.000181484
 H     -0.985124     -1.419541     -2.210030    0.00  -0.000014074  -0.000082601   0.000023286
 H      0.840143     -2.376589      1.163205    0.00  -0.000234870   0.000147164  -0.000050363
 O      0.220349     -0.165092      0.602058    0.00   0.001178264  -0.000744163   0.003578882
 O      1.501510     -1.418976     -0.997798    0.00  -0.001547107   0.002461426   0.001128437
 C      2.008759     -2.387353     -0.478799    0.00  -0.001554441  -0.000331117  -0.000908506
 H      2.832982     -3.005565     -0.840890    0.00  -0.000064019  -0.000182730  -0.000181729
 O      1.594905     -2.889522      0.709045    0.00  -0.003313615  -0.001676527  -0.001483860
26
 Energy =      -0.300487991479
 C     -0.474170      2.162660      0.808919    0.00   0.001301380   0.000037293  -0.000908153
 C     -1.871652      1.935008      0.219988    0.00   0.000428789   0.000099379   0.000424233
 C     -1.874594      0.935892     -0.945626    0.00  -0.000121194  -0.000637167  -0.000423912
 C     -2.015234     -0.524306     -0.496486    0.00   0.000632706  -0.000038578   0.000037493
 C     -0.939995     -0.950744      0.477240    0.00   0.000668732   0.000145117   0.001142553
 C      0.087400      0.945396      1.534212    0.00   0.001324446  -0.000882003  -0.001058813
 H     -2.703916      1.175438     -1.639654    0.00  -0.000059860  -0.000074756  -0.000167687
 H     -2.574736      1.613131      1.011372    0.00  -0.000098390  -0.000010028   0.000042160
 H     -2.262804      2.907852     -0.142937    0.00   0.000068883   0.000075238   0.000166681
 H      0.225304      2.445667     -0.007352    0.00   0.000142508   0.000058280  -0.000079352
 H     -0.494880      3.024687      1.504678    0.00   0.000130725   0.000014256  -0.000112636
 H     -3.001171     -0.657311      0.025323    0.00   0.000096470   0.000042235  -0.000046205
 H     -0.517571      0.637503      2.403509    0.00   0.000148190  -0.000275529  -0.000140000
 H      1.140164      1.093036      1.846342    0.00   0.000091237   0.000031472  -0.000236611
 H     -0.940199      1.047785     -1.537786    0.00  -0.000074114  -0.000146241   0.000039062
 O     -0.942835     -1.977417      1.125235    0.00  -0.000353600   0.002208470   0.000101948
 C     -1.948629     -1.491125     -1.683560    0.00   0.000627141  -0.000268038  -0.000512504
 H     -2.066319     -2.534234     -1.359255    0.00   0.000123896   0.000064551  -0.000031139
 H     -2.737483     -1.281140     -2.413726    0.00   0.000056733  -0.000083005  -0.000165065
 H     -0.981848     -1.418611     -2.205979    0.00  -0.000021765  -0.000084669   0.000033949
 H      0.843185     -2.389095      1.156360    0.00  -0.000226303   0.000147580  -0.000040262
 O      0.213700     -0.165747      0.613034    0.00   0.000913179  -0.000765878   0.003178529
 O      1.497348     -1.428731     -1.000502    0.00  -0.001451753   0.002463734   0.001083532
 C      2.016376     -2.390479     -0.480750    0.00  -0.001339266  -0.000431719  -0.000836880
 H      2.847711     -2.999600     -0.841660    0.00  -0.000037466  -0.000208905  -0.000168657
 O      1.607937     -2.893746      0.708762    0.00  -0.002971304  -0.001481086  -0.001322261
26
 Energy =       -0.30092937513
 C     -0.476099      2.169425      0.805222    0.00   0.001107722   0.000072693  -0.000773058
 C     -1.874368      1.935924      0.221114    0.00   0.000475683   0.000081334   0.000268328
 C     -1.871500      0.937932     -0.945208    0.00   0.000004356  -0.000514531  -0.000343090
 C     -2.017094     -0.521595     -0.496064    0.00   0.000584085  -0.000116511   0.000030243
 C     -0.945226     -0.950551      0.481066    0.00   0.000544337   0.000091333   0.000925018
 C      0.088198      0.954806      1.533028    0.00   0.001191270  -0.000693768  -0.000801712
 H     -2.695434      1.178905     -1.644995    0.00  -0.000041390  -0.000057471  -0.000129247
 H     -2.573005      1.608260      1.014068    0.00  -0.000059928  -0.000009609   0.000026961
 H     -2.273061      2.906570     -0.138971    0.00   0.000063185   0.000059440   0.000120357
 H      0.220521      2.452321     -0.013354    0.00   0.000112446   0.000053232  -0.000066122
 H     -0.496762      3.033125      1.498950    0.00   0.000109974   0.000013374  -0.000101200
 H     -3.005048     -0.652857      0.022036    0.00   0.000082958   0.000026576  -0.000037024
 H     -0.510927      0.655019      2.409188    0.00   0.000138077  -0.000218632  -0.000113037
 H      1.143967      1.102652      1.835583    0.00   0.000085783   0.000024623  -0.000180063
 H     -0.933019      1.047991     -1.531327    0.00  -0.000048035  -0.000112992   0.000028696
 O     -0.947150     -1.982779      1.120048    0.00  -0.000340892   0.001966146  -0.000038749
 C     -1.948343     -1.486892     -1.684400    0.00   0.000534304  -0.000327764  -0.000413126
 H     -2.072603     -2.529953     -1.362553    0.00   0.000115583   0.000050116  -0.000021281
 H     -2.731912     -1.271847     -2.418746    0.00   0.000042934  -0.000084994  -0.000148983
 H     -0.978069     -1.418119     -2.200994    0.00  -0.000027287  -0.000083243   0.000042370
 H      0.845670     -2.402835      1.149272    0.00  -0.000217742   0.000148251  -0.000033651
 O      0.207622     -0.166564      0.624266    0.00   0.000711758  -0.000784907   0.002820092
 O      1.492489     -1.439292     -1.003737    0.00  -0.001382694   0.002462682   0.001038020
 C      2.024403     -2.393103     -0.482297    0.00  -0.001136948  -0.000512204  -0.000773239
 H      2.864263     -2.991566     -0.841020    0.00  -0.000008475  -0.000230467  -0.000154029
 O      1.621002     -2.898057      0.708452    0.00  -0.002641066  -0.001302706  -0.001172475
26
 Energy =      -0.301323723904
 C     -0.478042      2.175756      0.801567    0.00   0.000934193   0.000087487  -0.000660463
 C     -1.877035      1.937535      0.221768    0.00   0.000499759   0.000060184   0.000131240
 C     -1.869116      0.940227     -0.944842    0.00   0.000101952  -0.000404231  -0.000270247
 C     -2.018723     -0.518596     -0.495374    0.00   0.000529302  -0.000171270   0.000025027
 C     -0.949857     -0.950242      0.484584    0.00   0.000434956   0.000044427   0.000737111
 C      0.088209      0.963686      1.532238    0.00   0.001081377  -0.000548685  -0.000565289
 H     -2.688509      1.182107     -1.649533    0.00  -0.000025054  -0.000041571  -0.000095527
 H     -2.571923      1.605277      1.016108    0.00  -0.000028320  -0.000009525   0.000014438
 H     -2.281967      2.906234     -0.136140    0.00   0.000058001   0.000045578   0.000080030
 H      0.216211      2.457951     -0.019119    0.00   0.000084750   0.000047583  -0.000054814
 H     -0.498327      3.041239      1.493141    0.00   0.000092244   0.000011973  -0.000092524
 H     -3.008434     -0.648370      0.019446    0.00   0.000070107   0.000014274  -0.000028626
 H     -0.506099      0.671673      2.414315    0.00   0.000130569  -0.000169865  -0.000086655
 H      1.146463      1.111729      1.826710    0.00   0.000080579   0.000015362  -0.000129677
 H     -0.927285      1.048716     -1.525940    0.00  -0.000026708  -0.000083726   0.000018896
 O     -0.951046     -1.988028      1.114446    0.00  -0.000344253   0.001741876  -0.000170561
 C     -1.947811     -1.482657     -1.684735    0.00   0.000452522  -0.000358738  -0.000329029
 H     -2.079029     -2.525522     -1.365146    0.00   0.000107158   0.000038760  -0.000013873
 H     -2.725733     -1.262546     -2.423525    0.00   0.000031389  -0.000084741  -0.000133293
 H     -0.973897     -1.418104     -2.195201    0.00  -0.000030585  -0.000079210   0.000048392
 H      0.847478     -2.417749      1.141902    0.00  -0.000209526   0.000148639  -0.000030188
 O      0.202118     -0.167436      0.635711    0.00   0.000565354  -0.000798279   0.002503307
 O      1.486924     -1.450695     -1.007568    0.00  -0.001337269   0.002454792   0.000992343
 C      2.032774     -2.395158     -0.483403    0.00  -0.000947090  -0.000570520  -0.000716451
 H      2.882570     -2.981307     -0.838824    0.00   0.000022929  -0.000246479  -0.000137730
 O      1.633947     -2.902375      0.708124    0.00  -0.002328338  -0.001144096  -0.001035836
26
 Energy =      -0.301679189024
 C     -0.479900      2.181626      0.798004    0.00   0.000782458   0.000088823  -0.000569121
 C     -1.879557      1.939812      0.221934    0.00   0.000505894   0.000038618   0.000015995
 C     -1.867460      0.942713     -0.944534    0.00   0.000172172  -0.000310679  -0.000208829
 C     -2.020101     -0.515398     -0.494442    0.00   0.000472685  -0.000208427   0.000021306
 C     -0.953826     -0.949820      0.487764    0.00   0.000339713   0.000004721   0.000578845
 C      0.087383      0.972007      1.531999    0.00   0.000993499  -0.000438419  -0.000353667
 H     -2.683252      1.184985     -1.653203    0.00  -0.000011744  -0.000027990  -0.000067450
 H     -2.571444      1.604196      1.017481    0.00  -0.000003526  -0.000009643   0.000004213
 H     -2.289376      2.906858     -0.134504    0.00   0.000053052   0.000033906   0.000046562
 H      0.212546      2.462411     -0.024572    0.00   0.000059923   0.000042129  -0.000045154
 H     -0.499482      3.049059      1.487226    0.00   0.000077257   0.000010424  -0.000086414
 H     -3.011294     -0.643969      0.017569    0.00   0.000058489   0.000004651  -0.000021290
 H     -0.503322      0.687357      2.418938    0.00   0.000125318  -0.000128655  -0.000062020
 H      1.147581      1.120205      1.820086    0.00   0.000076051   0.000005108  -0.000085601
 H     -0.923055      1.049914     -1.521734    0.00  -0.000010183  -0.000059259   0.000010422
 O     -0.954372     -1.993141      1.108435    0.00  -0.000361422   0.001537825  -0.000290575
 C     -1.947084     -1.478497     -1.684619    0.00   0.000383429  -0.000368551  -0.000258593
 H     -2.085521     -2.521025     -1.367086    0.00   0.000098696   0.000029833  -0.000008454
 H     -2.719115     -1.253369     -2.428003    0.00   0.000022290  -0.000082543  -0.000118112
 H     -0.969471     -1.418558     -2.188782    0.00  -0.000031856  -0.000073428   0.000051952
 H      0.848534     -2.433701      1.134239    0.00  -0.000201656   0.000148132  -0.000029339
 O      0.197176     -0.168254      0.647306    0.00   0.000463819  -0.000805293   0.002228122
 O      1.480687     -1.462933     -1.012035    0.00  -0.001311844   0.002437613   0.000946053
 C      2.041374     -2.396592     -0.484052    0.00  -0.000770825  -0.000605793  -0.000665302
 H      2.902403     -2.968773     -0.835004    0.00   0.000055748  -0.000256285  -0.000119996
 O      1.646605     -2.906606      0.707798    0.00  -0.002037437  -0.001006817  -0.000913554
26
 Energy =       -0.30200317143
 C     -0.481597      2.187023      0.794573    0.00   0.000653311   0.000082314  -0.000496269
 C     -1.881854      1.942690      0.221623    0.00   0.000499025   0.000018850  -0.000077059
 C     -1.866482      0.945322     -0.944289    0.00   0.000217308  -0.000235744  -0.000160407
 C     -2.021215     -0.512092     -0.493299    0.00   0.000417590  -0.000232891   0.000018569
 C     -0.957098     -0.949302      0.490593    0.00   0.000257738  -0.000028089   0.000448703
 C      0.085692      0.979761      1.532430    0.00   0.000925472  -0.000355692  -0.000169382
 H     -2.679627      1.187501     -1.656018    0.00  -0.000001901  -0.000017275  -0.000045247
 H     -2.571494      1.604915      1.018208    0.00   0.000015039  -0.000009821  -0.000004157
 H     -2.295251      2.908385     -0.134044    0.00   0.000048115   0.000024508   0.000019982
 H      0.209649      2.465603     -0.029667    0.00   0.000038386   0.000037281  -0.000036757
 H     -0.500156      3.056624      1.481169    0.00   0.000064725   0.000009030  -0.000082376
 H     -3.013606     -0.639740      0.016396    0.00   0.000048433  -0.000002910  -0.000015177
 H     -0.502758      0.702009      2.423105    0.00   0.000121839  -0.000094365  -0.000040266
 H      1.147298      1.128043      1.815963    0.00   0.000072585  -0.000004757  -0.000047767
 H     -0.920250      1.051506     -1.518711    0.00   0.000001865  -0.000039795   0.000003745
 O     -0.956994     -1.998107      1.102041    0.00  -0.000388928   0.001355966  -0.000396846
 C     -1.946231     -1.474472     -1.684113    0.00   0.000327403  -0.000363754  -0.000199730
 H     -2.091981     -2.516542     -1.368441    0.00   0.000090282   0.000022795  -0.000004463
 H     -2.712269     -1.244454     -2.432110    0.00   0.000015679  -0.000078701  -0.000103595
 H     -0.964959     -1.419429     -2.181956    0.00  -0.000031489  -0.000066653   0.000053158
 H      0.848826     -2.450479      1.126316    0.00  -0.000193846   0.000146193  -0.000030328
 O      0.192757     -0.168921      0.658978    0.00   0.000396674  -0.000807085   0.001994169
 O      1.473861     -1.475956     -1.017152    0.00  -0.001301733   0.002410003   0.000897887
 C      2.050048     -2.397393     -0.484260    0.00  -0.000610426  -0.000618541  -0.000618535
 H      2.923380     -2.954052     -0.829597    0.00   0.000088040  -0.000259666  -0.000101489
 O      1.658817     -2.910641      0.707495    0.00  -0.001771188  -0.000891203  -0.000806363
26
 Energy =      -0.302302015959
 C     -0.483084      2.191963      0.791296    0.00   0.000546365   0.000071857  -0.000438259
 C     -1.883880      1.946075      0.220870    0.00   0.000483641   0.000002368  -0.000149883
 C     -1.866072      0.947982     -0.944109    0.00   0.000241035  -0.000178898  -0.000124893
 C     -2.022056     -0.508755     -0.491977    0.00   0.000366196  -0.000248647   0.000016442
 C     -0.959670     -0.948715      0.493077    0.00   0.000188085  -0.000054758   0.000343984
 C      0.083144      0.986968      1.533592    0.00   0.000874424  -0.000294395  -0.000012947
 H     -2.677449      1.189642     -1.658062    0.00   0.000004568  -0.000009445  -0.000028560
 H     -2.571980      1.607236      1.018335    0.00   0.000028376  -0.000009910  -0.000011074
 H     -2.299652      2.910706     -0.134682    0.00   0.000043123   0.000017290  -0.000000378
 H      0.207572      2.467499     -0.034389    0.00   0.000020344   0.000033123  -0.000029267
 H     -0.500317      3.063977      1.474942    0.00   0.000054382   0.000007974  -0.000079736
 H     -3.015373     -0.635727      0.015896    0.00   0.000040033  -0.000008929  -0.000010307
 H     -0.504452      0.715620      2.426866    0.00   0.000119579  -0.000066288  -0.000022198
 H      1.145635      1.135253      1.814444    0.00   0.000070427  -0.000013173  -0.000015854
 H     -0.918687      1.053388     -1.516778    0.00   0.000010011  -0.000025040  -0.000001068
 O     -0.958815     -2.002928      1.095304    0.00  -0.000422699   0.001197325  -0.000488670
 C     -1.945323     -1.470626     -1.683284    0.00   0.000283634  -0.000349585  -0.000150109
 H     -2.098305     -2.512145     -1.369283    0.00   0.000082038   0.000017209  -0.000001362
 H     -2.705426     -1.235915     -2.435777    0.00   0.000011387  -0.000073566  -0.000089876
 H     -0.960530     -1.420626     -2.174958    0.00  -0.000029958  -0.000059472   0.000052339
 H      0.848414     -2.467809      1.118194    0.00  -0.000185682   0.000142475  -0.000032260
 O      0.188808     -0.169368      0.670667    0.00   0.000354419  -0.000805754   0.001800312
 O      1.466566     -1.489676     -1.022907    0.00  -0.001301862   0.002372180   0.000846183
 C      2.058625     -2.397586     -0.484072    0.00  -0.000468510  -0.000610738  -0.000575087
 H      2.945016     -2.937376     -0.822749    0.00   0.000117373  -0.000256897  -0.000083180
 O      1.670453     -2.914379      0.707238    0.00  -0.001530730  -0.000796306  -0.000714291
26
 Energy =      -0.302580879653
 C     -0.484343      2.196478      0.788187    0.00   0.000460068   0.000059847  -0.000391279
 C     -1.885611      1.949861      0.219719    0.00   0.000463489  -0.000010091  -0.000205850
 C     -1.866087      0.950637     -0.943990    0.00   0.000247716  -0.000137920  -0.000101022
 C     -2.022628     -0.505446     -0.490508    0.00   0.000319752  -0.000258688   0.000014713
 C     -0.961574     -0.948087      0.495242    0.00   0.000129661  -0.000076359   0.000261337
 C      0.079775      0.993680      1.535500    0.00   0.000837246  -0.000249554   0.000117071
 H     -2.676440      1.191416     -1.659469    0.00   0.000008135  -0.000004113  -0.000016692
 H     -2.572811      1.610912      1.017915    0.00   0.000037632  -0.000009777  -0.000016830
 H     -2.302714      2.913680     -0.136307    0.00   0.000038175   0.000012002  -0.000015619
 H      0.206306      2.468153     -0.038728    0.00   0.000005749   0.000029523  -0.000022436
 H     -0.499983      3.071157      1.468538    0.00   0.000045964   0.000007319  -0.000077836
 H     -3.016619     -0.631930      0.016016    0.00   0.000033231  -0.000013806  -0.000006576
 H     -0.508338      0.728249      2.430278    0.00   0.000118078  -0.000043656  -0.000008080
 H      1.142665      1.141885      1.815478    0.00   0.000069587  -0.000019577   0.000010634
 H     -0.918107      1.055449     -1.515772    0.00   0.000014933  -0.000014378  -0.000004281
 O     -0.959790     -2.007617      1.088268    0.00  -0.000458767   0.001061613  -0.000566444
 C     -1.944433     -1.466988     -1.682191    0.00   0.000250461  -0.000329947  -0.000107432
 H     -2.104406     -2.507887     -1.369672    0.00   0.000074115   0.000012722   0.000001273
 H     -2.698811     -1.227846     -2.438940    0.00   0.000009047  -0.000067548  -0.000077038
 H     -0.956341     -1.422057     -2.168004    0.00  -0.000027698  -0.000052290   0.000050010
 H      0.847413     -2.485381      1.109960    0.00  -0.000176772   0.000136915  -0.000034307
 O      0.185260     -0.169553      0.682343    0.00   0.000329370  -0.000803366   0.001644361
 O      1.458957     -1.503987     -1.029270    0.00  -0.001307766   0.002325453   0.000789472
 C      2.066946     -2.397242     -0.483564    0.00  -0.000347247  -0.000585331  -0.000534340
 H      2.966792     -2.919095     -0.814693    0.00   0.000141526  -0.000248747  -0.000066110
 O      1.681425     -2.917728      0.707049    0.00  -0.001315683  -0.000720246  -0.000636701
26
 Energy =       -0.30284379789
 C     -0.485388      2.200619      0.785256    0.00   0.000392095   0.000047627  -0.000352050
 C     -1.887052      1.953949      0.218217    0.00   0.000441400  -0.000018423  -0.000248751
 C     -1.866374      0.953236     -0.943934    0.00   0.000241701  -0.000109847  -0.000086996
 C     -2.022941     -0.502208     -0.488915    0.00   0.000278790  -0.000265105   0.000013321
 C     -0.962865     -0.947441      0.497129    0.00   0.000081358  -0.000093975   0.000197340
 C      0.075645      0.999964      1.538129    0.00   0.000811071  -0.000217182   0.000223527
 H     -2.676284      1.192844     -1.660400    0.00   0.000009454  -0.000000693  -0.000008795
 H     -2.573913      1.615689      1.016996    0.00   0.000043913  -0.000009333  -0.000021657
 H     -2.304609      2.917161     -0.138798    0.00   0.000033420   0.000008320  -0.000026934
 H      0.205787      2.467684     -0.042679    0.00  -0.000005675   0.000026284  -0.000016150
 H     -0.499216      3.078195      1.461979    0.00   0.000039243   0.000007026  -0.000076150
 H     -3.017382     -0.628320      0.016694    0.00   0.000027879  -0.000017837  -0.000003815
 H     -0.514257      0.739999      2.433400    0.00   0.000117007  -0.000025685   0.000002355
 H      1.138487      1.148018      1.818893    0.00   0.000069888  -0.000023919   0.000032317
 H     -0.918230      1.057584     -1.515503    0.00   0.000017305  -0.000007068  -0.000006312
 O     -0.959924     -2.012193      1.080970    0.00  -0.000493843   0.000947310  -0.000631325
 C     -1.943625     -1.463572     -1.680883    0.00   0.000225866  -0.000307594  -0.000069661
 H     -2.110221     -2.503806     -1.369653    0.00   0.000066671   0.000009048   0.000003726
 H     -2.692614     -1.220306     -2.441559    0.00   0.000008180  -0.000061063  -0.000065102
 H     -0.952517     -1.423628     -2.161267    0.00  -0.000025052  -0.000045354   0.000046763
 H      0.845975     -2.502884      1.101706    0.00  -0.000166893   0.000129700  -0.000035867
 O      0.182037     -0.169464      0.694012    0.00   0.000315925  -0.000801414   0.001523186
 O      1.451199     -1.518781     -1.036202    0.00  -0.001316322   0.002271813   0.000726865
 C      2.074879     -2.396464     -0.482835    0.00  -0.000247825  -0.000545822  -0.000496203
 H      2.988227     -2.899637     -0.805713    0.00   0.000159021  -0.000236307  -0.000051123
 O      1.691694     -2.920616      0.706940    0.00  -0.001124576  -0.000660509  -0.000572511
26
 Energy =      -0.303093886384
 C     -0.486252      2.204443      0.782510    0.00   0.000339779   0.000035890  -0.000318121
 C     -1.888220      1.958256      0.216398    0.00   0.000419351  -0.000022950  -0.000282105
 C     -1.866789      0.955746     -0.943943    0.00   0.000226839  -0.000091688  -0.000080901
 C     -2.023010     -0.499061     -0.487221    0.00   0.000243425  -0.000269274   0.000012301
 C     -0.963614     -0.946799      0.498788    0.00   0.000042122  -0.000108562   0.000148851
 C      0.070821      1.005900      1.541429    0.00   0.000793551  -0.000194129   0.000310026
 H     -2.676677      1.193954     -1.661017    0.00   0.000009162   0.000001379  -0.000004044
 H     -2.575236      1.621338      1.015612    0.00   0.000048144  -0.000008536  -0.000025755
 H     -2.305511      2.921016     -0.142056    0.00   0.000028984   0.000005909  -0.000035397
 H      0.205932      2.466251     -0.046232    0.00  -0.000014348   0.000023236  -0.000010385
 H     -0.498108      3.085115      1.455302    0.00   0.000034005   0.000007005  -0.000074354
 H     -3.017710     -0.624846      0.017865    0.00   0.000023801  -0.000021226  -0.000001835
 H     -0.521994      0.751003      2.436297    0.00   0.000116192  -0.000011614   0.000009716
 H      1.133219      1.153750      1.824443    0.00   0.000071063  -0.000026489   0.000049861
 H     -0.918787      1.059701     -1.515784    0.00   0.000017734  -0.000002383  -0.000007560
 O     -0.959256     -2.016678      1.073448    0.00  -0.000525565   0.000852076  -0.000684827
 C     -1.942954     -1.460382     -1.679394    0.00   0.000207881  -0.000284398  -0.000035155
 H     -2.115716     -2.499928     -1.369253    0.00   0.000059834   0.000005962   0.000006161
 H     -2.686985     -1.213334     -2.443602    0.00   0.000008305  -0.000054487  -0.000054043
 H     -0.949152     -1.425273     -2.154877    0.00  -0.000022259  -0.000038802   0.000043151
 H      0.844264     -2.520019      1.093527    0.00  -0.000156007   0.000121193  -0.000036615
 O      0.179061     -0.169111      0.705709    0.00   0.000310349  -0.000800677   0.001433030
 O      1.443462     -1.533960     -1.043665    0.00  -0.001325825   0.002213519   0.000658162
 C      2.082333     -2.395379     -0.481990    0.00  -0.000170384  -0.000495793  -0.000460963
 H      3.008918     -2.879467     -0.796115    0.00   0.000169280  -0.000220816  -0.000038742
 O      1.701257     -2.922985      0.706917    0.00  -0.000955412  -0.000614345  -0.000520458
26
 Energy =      -0.303333589485
 C     -0.486976      2.208010      0.779957    0.00   0.000300453   0.000024974  -0.000287884
 C     -1.889142      1.962713      0.214289    0.00   0.000398604  -0.000024226  -0.000308831
 C     -1.867210      0.958144     -0.944023    0.00   0.000206255  -0.000080834  -0.000080980
 C     -2.022859     -0.496013     -0.485440    0.00   0.000213521  -0.000272086   0.000011754
 C     -0.963899     -0.946166      0.500271    0.00   0.000010986  -0.000120898   0.000113130
 C      0.065374      1.011568      1.545343    0.00   0.000782948  -0.000177939   0.000380328
 H     -2.677341      1.194777     -1.661471    0.00   0.000007784   0.000002565  -0.000001706
 H     -2.576746      1.627671      1.013786    0.00   0.000051030  -0.000007404  -0.000029302
 H     -2.305579      2.925137     -0.145999    0.00   0.000024931   0.000004460  -0.000041867
 H      0.206643      2.464025     -0.049374    0.00  -0.000020754   0.000020274  -0.000005149
 H     -0.496766      3.091931      1.448559    0.00   0.000030055   0.000007152  -0.000072307
 H     -3.017656     -0.621451      0.019466    0.00   0.000020822  -0.000024120  -0.000000464
 H     -0.531319      0.761403      2.439029    0.00   0.000115575  -0.000000736   0.000014726
 H      1.126978      1.159181      1.831856    0.00   0.000072834  -0.000027717   0.000063941
 H     -0.919545      1.061724     -1.516446    0.00   0.000016736   0.000000316  -0.000008330
 O     -0.957852     -2.021087      1.065734    0.00  -0.000552475   0.000773217  -0.000728502
 C     -1.942462     -1.457419     -1.677743    0.00   0.000194827  -0.000261587  -0.000002688
 H     -2.120883     -2.496267     -1.368477    0.00   0.000053688   0.000003299   0.000008659
 H     -2.682034     -1.206948     -2.445057    0.00   0.000009015  -0.000048110  -0.000043816
 H     -0.946309     -1.426946     -2.148909    0.00  -0.000019470  -0.000032706   0.000039614
 H      0.842435     -2.536523      1.085500    0.00  -0.000144243   0.000111841  -0.000036470
 O      0.176254     -0.168519      0.717486    0.00   0.000310309  -0.000801374   0.001369869
 O      1.435905     -1.549433     -1.051628    0.00  -0.001335646   0.002152791   0.000583786
 C      2.089261     -2.394125     -0.481141    0.00  -0.000114175  -0.000438617  -0.000429065
 H      3.028561     -2.859057     -0.786201    0.00   0.000172500  -0.000203493  -0.000029157
 O      1.710136     -2.924803      0.706978    0.00  -0.000806108  -0.000579042  -0.000479289
26
 Energy =       -0.30356489942
 C     -0.487606      2.211371      0.777602    0.00   0.000271632   0.000015017  -0.000260402
 C     -1.889845      1.967273      0.211910    0.00   0.000379882  -0.000022890  -0.000331180
 C     -1.867539      0.960418     -0.944180    0.00   0.000182356  -0.000075193  -0.000085704
 C     -2.022513     -0.493063     -0.483582    0.00   0.000188835  -0.000274057   0.000011771
 C     -0.963803     -0.945546      0.501630    0.00  -0.000012958  -0.000131586   0.000087877
 C      0.059368      1.017035      1.549806    0.00   0.000778000  -0.000166689   0.000437946
 H     -2.678056      1.195343     -1.661892    0.00   0.000005711   0.000003182  -0.000001170
 H     -2.578431      1.634537      1.011528    0.00   0.000053074  -0.000005985  -0.000032458
 H     -2.304948      2.929439     -0.150565    0.00   0.000021275   0.000003716  -0.000046989
 H      0.207828      2.461176     -0.052086    0.00  -0.000025367   0.000017353  -0.000000440
 H     -0.495292      3.098654      1.441810    0.00   0.000027192   0.000007383  -0.000070010
 H     -3.017278     -0.618073      0.021440    0.00   0.000018775  -0.000026623   0.000000450
 H     -0.542003      0.771332      2.441649    0.00   0.000115181   0.000007587   0.000018065
 H      1.119874      1.164397      1.840857    0.00   0.000074974  -0.000028034   0.000075197
 H     -0.920312      1.063595     -1.517352    0.00   0.000014732   0.000001566  -0.000008821
 O     -0.955795     -2.025430      1.057858    0.00  -0.000573879   0.000708016  -0.000763775
 C     -1.942184     -1.454682     -1.675939    0.00   0.000185407  -0.000239952   0.000028581
 H     -2.125735     -2.492832     -1.367322    0.00   0.000048276   0.000000938   0.000011243
 H     -2.677824     -1.201157     -2.445922    0.00   0.000009992  -0.000042140  -0.000034369
 H     -0.944021     -1.428624     -2.143399    0.00  -0.000016784  -0.000027092   0.000036456
 H      0.840622     -2.552165      1.077695    0.00  -0.000131843   0.000102096  -0.000035521
 O      0.173544     -0.167718      0.729402    0.00   0.000314387  -0.000803375   0.001329623
 O      1.428682     -1.565119     -1.060058    0.00  -0.001345735   0.002091612   0.000504687
 C      2.095651     -2.392839     -0.480390    0.00  -0.000077778  -0.000377315  -0.000400906
 H      3.046952     -2.838855     -0.776250    0.00   0.000169426  -0.000185427  -0.000022289
 O      1.718373     -2.926052      0.707113    0.00  -0.000674763  -0.000552106  -0.000447862
26
 Energy =      -0.303789520486
 C     -0.488183      2.214570      0.775449    0.00   0.000251129   0.000006073  -0.000235204
 C     -1.890360      1.971899      0.209274    0.00   0.000363520  -0.000019588  -0.000350810
 C     -1.867703      0.962559     -0.944423    0.00   0.000156904  -0.000073154  -0.000093817
 C     -2.022003     -0.490205     -0.481657    0.00   0.000168950  -0.000275580   0.000012460
 C     -0.963404     -0.944935      0.502915    0.00  -0.000030536  -0.000141029   0.000071066
 C      0.052864      1.022363      1.554762    0.00   0.000777759  -0.000158879   0.000485873
 H     -2.678644      1.195683     -1.662387    0.00   0.000003226   0.000003449  -0.000001930
 H     -2.580280      1.641819      1.008844    0.00   0.000054623  -0.000004348  -0.000035359
 H     -2.303727      2.933857     -0.155706    0.00   0.000017989   0.000003467  -0.000051219
 H      0.209403      2.457856     -0.054357    0.00  -0.000028620   0.000014476   0.000003756
 H     -0.493784      3.105287      1.435107    0.00   0.000025227   0.000007636  -0.000067536
 H     -3.016631     -0.614656      0.023734    0.00   0.000017510  -0.000028813   0.000001020
 H     -0.553837      0.780909      2.444205    0.00   0.000115034   0.000013921   0.000020292
 H      1.112008      1.169471      1.851193    0.00   0.000077317  -0.000027789   0.000084219
 H     -0.920939      1.065268     -1.518391    0.00   0.000012055   0.000001788  -0.000009147
 O     -0.953172     -2.029707      1.049856    0.00  -0.000589640   0.000653947  -0.000791914
 C     -1.942142     -1.452172     -1.673983    0.00   0.000178669  -0.000219930   0.000059158
 H     -2.130298     -2.489625     -1.365774    0.00   0.000043596  -0.000001195   0.000013916
 H     -2.674388     -1.195957     -2.446208    0.00   0.000011041  -0.000036700  -0.000025651
 H     -0.942306     -1.430299     -2.138349    0.00  -0.000014252  -0.000021973   0.000033854
 H      0.838933     -2.566757      1.070157    0.00  -0.000119133   0.000092357  -0.000033984
 O      0.170862     -0.166738      0.741506    0.00   0.000321686  -0.000806342   0.001308424
 O      1.421924     -1.580946     -1.068925    0.00  -0.001356237   0.002031517   0.000422244
 C      2.101520     -2.391650     -0.479830    0.00  -0.000059210  -0.000314458  -0.000376744
 H      3.063979     -2.819270     -0.766510    0.00   0.000161150  -0.000167480  -0.000017849
 O      1.726012     -2.926728      0.707300    0.00  -0.000559758  -0.000531370  -0.000425119
26
 Energy =      -0.304008958361
 C     -0.488741      2.217644      0.773500    0.00   0.000237021  -0.000001839  -0.000212086
 C     -1.890708      1.976566      0.206389    0.00   0.000349566  -0.000014905  -0.000368906
 C     -1.867650      0.964568     -0.944759    0.00   0.000131154  -0.000073522  -0.000104275
 C     -2.021359     -0.487427     -0.479670    0.00   0.000153437  -0.000276827   0.000013843
 C     -0.962776     -0.944327      0.504168    0.00  -0.000042617  -0.000149546   0.000060987
 C      0.045913      1.027594      1.560149    0.00   0.000781392  -0.000153305   0.000526544
 H     -2.678975      1.195823     -1.663041    0.00   0.000000522   0.000003497  -0.000003592
 H     -2.582291      1.649432      1.005739    0.00   0.000055909  -0.000002566  -0.000038112
 H     -2.302002      2.938343     -0.161385    0.00   0.000015027   0.000003549  -0.000054878
 H      0.211298      2.454192     -0.056177    0.00  -0.000030884   0.000011669   0.000007478
 H     -0.492318      3.111829      1.428499    0.00   0.000023973   0.000007873  -0.000064985
 H     -3.015771     -0.611151      0.026301    0.00   0.000016891  -0.000030752   0.000001343
 H     -0.566634      0.790230      2.446730    0.00   0.000115167   0.000018746   0.000021820
 H      1.103467      1.174459      1.862635    0.00   0.000079750  -0.000027237   0.000091518
 H     -0.921315      1.066709     -1.519481    0.00   0.000008971   0.000001315  -0.000009365
 O     -0.950075     -2.033910      1.041766    0.00  -0.000600054   0.000608780  -0.000814008
 C     -1.942350     -1.449884     -1.671871    0.00   0.000173970  -0.000201748   0.000089316
 H     -2.134605     -2.486647     -1.363822    0.00   0.000039632  -0.000003149   0.000016656
 H     -2.671733     -1.191341     -2.445932    0.00   0.000012029  -0.000031853  -0.000017611
 H     -0.941157     -1.431975     -2.133737    0.00  -0.000011908  -0.000017329   0.000031886
 H      0.837449     -2.580159      1.062919    0.00  -0.000106468   0.000082934  -0.000032123
 O      0.168151     -0.165615      0.753839    0.00   0.000331536  -0.000809859   0.001302487
 O      1.415743     -1.596843     -1.078192    0.00  -0.001367149   0.001973470   0.000338216
 C      2.106911     -2.390674     -0.479542    0.00  -0.000056072  -0.000252140  -0.000356628
 H      3.079606     -2.800655     -0.757192    0.00   0.000148936  -0.000150276  -0.000015422
 O      1.733104     -2.926850      0.707517    0.00  -0.000459732  -0.000514980  -0.000410103
26
 Energy =      -0.304224547967
 C     -0.489310      2.220620      0.771753    0.00   0.000227632  -0.000008743  -0.000190947
 C     -1.890911      1.981255      0.203265    0.00   0.000337872  -0.000009347  -0.000386257
 C     -1.867349      0.966446     -0.945191    0.00   0.000105941  -0.000075400  -0.000116254
 C     -2.020612     -0.484718     -0.477624    0.00   0.000141768  -0.000277965   0.000015930
 C     -0.961989     -0.943711      0.505428    0.00  -0.000050067  -0.000157286   0.000056088
 C      0.038564      1.032765      1.565912    0.00   0.000788102  -0.000148986   0.000561766
 H     -2.678961      1.195789     -1.663913    0.00  -0.000002273   0.000003408  -0.000005842
 H     -2.584460      1.657311      1.002216    0.00   0.000057073  -0.000000711  -0.000040793
 H     -2.299842      2.942864     -0.167564    0.00   0.000012338   0.000003835  -0.000058186
 H      0.213454      2.450286     -0.057548    0.00  -0.000032457   0.000008963   0.000010776
 H     -0.490948      3.118278      1.422023    0.00   0.000023251   0.000008078  -0.000062457
 H     -3.014750     -0.607521      0.029098    0.00   0.000016787  -0.000032489   0.000001486
 H     -0.580234      0.799371      2.449247    0.00   0.000115573   0.000022475   0.000022931
 H      1.094329      1.179400      1.874983    0.00   0.000082195  -0.000026536   0.000097516
 H     -0.921365      1.067899     -1.520557    0.00   0.000005671   0.000000397  -0.000009500
 O     -0.946591     -2.038026      1.033626    0.00  -0.000605656   0.000570573  -0.000831023
 C     -1.942818     -1.447817     -1.669595    0.00   0.000170861  -0.000185398   0.000119141
 H     -2.138698     -2.483890     -1.361455    0.00   0.000036339  -0.000004954   0.000019434
 H     -2.669839     -1.187290     -2.445118    0.00   0.000012902  -0.000027602  -0.000010203
 H     -0.940560     -1.433663     -2.129522    0.00  -0.000009758  -0.000013137   0.000030557
 H      0.836224     -2.592283      1.055996    0.00  -0.000094201   0.000074039  -0.000030215
 O      0.165358     -0.164374      0.766420    0.00   0.000343311  -0.000813417   0.001308233
 O      1.410224     -1.612742     -1.087814    0.00  -0.001378178   0.001917761   0.000254601
 C      2.111877     -2.390002     -0.479585    0.00  -0.000065598  -0.000191930  -0.000340412
 H      3.093857     -2.783292     -0.748461    0.00   0.000134094  -0.000134179  -0.000014526
 O      1.739702     -2.926445      0.707736    0.00  -0.000373522  -0.000501448  -0.000401842
26
 Energy =      -0.304437436611
 C     -0.489905      2.223517      0.770199    0.00   0.000221511  -0.000014692  -0.000171723
 C     -1.890986      1.985954      0.199911    0.00   0.000328136  -0.000003318  -0.000403377
 C     -1.866787      0.968197     -0.945723    0.00   0.000081763  -0.000078155  -0.000129084
 C     -2.019794     -0.482068     -0.475523    0.00   0.000133398  -0.000279000   0.000018641
 C     -0.961098     -0.943079      0.506722    0.00  -0.000053797  -0.000164355   0.000055014
 C      0.030856      1.037892      1.571998    0.00   0.000796997  -0.000145107   0.000592833
 H     -2.678546      1.195604     -1.665044    0.00  -0.000005076   0.000003228  -0.000008442
 H     -2.586782      1.665409      0.998285    0.00   0.000058193   0.000001163  -0.000043454
 H     -2.297298      2.947398     -0.174215    0.00   0.000009868   0.000004227  -0.000061288
 H      0.215823      2.446219     -0.058476    0.00  -0.000033572   0.000006385   0.000013711
 H     -0.489713      3.124630      1.415706    0.00   0.000022891   0.000008243  -0.000060023
 H     -3.013614     -0.603736      0.032090    0.00   0.000017084  -0.000034071   0.000001507
 H     -0.594504      0.808384      2.451765    0.00   0.000116208   0.000025444   0.000023795
 H      1.084657      1.184320      1.888065    0.00   0.000084600  -0.000025767   0.000102548
 H     -0.921045      1.068826     -1.521578    0.00   0.000002308  -0.000000771  -0.000009562
 O     -0.942801     -2.042039      1.025477    0.00  -0.000607149   0.000537680  -0.000843806
 C     -1.943544     -1.445962     -1.667153    0.00   0.000169071  -0.000170756   0.000148624
 H     -2.142618     -2.481348     -1.358671    0.00   0.000033662  -0.000006614   0.000022219
 H     -2.668672     -1.183775     -2.443802    0.00   0.000013641  -0.000023919  -0.000003380
 H     -0.940490     -1.435377     -2.125658    0.00  -0.000007801  -0.000009346   0.000029818
 H      0.835296     -2.603090      1.049388    0.00  -0.000082637   0.000065782  -0.000028499
 O      0.162445     -0.163045      0.779253    0.00   0.000356367  -0.000816462   0.001322217
 O      1.405418     -1.628578     -1.097739    0.00  -0.001388577   0.001864033   0.000173533
 C      2.116484     -2.389704     -0.480003    0.00  -0.000084854  -0.000134925  -0.000327793
 H      3.106806     -2.767383     -0.740444    0.00   0.000117845  -0.000119332  -0.000014682
 O      1.745861     -2.925561      0.707924    0.00  -0.000300084  -0.000489594  -0.000399347
26
 Energy =      -0.304648545521
 C     -0.490538      2.226347      0.768827    0.00   0.000217410  -0.000019740  -0.000154294
 C     -1.890944      1.990659      0.196335    0.00   0.000319950   0.000002837  -0.000420542
 C     -1.865960      0.969829     -0.946354    0.00   0.000058874  -0.000081313  -0.000142280
 C     -2.018929     -0.479466     -0.473370    0.00   0.000127704  -0.000279975   0.000021898
 C     -0.960149     -0.942425      0.508069    0.00  -0.000054726  -0.000170728   0.000056545
 C      0.022826      1.042989      1.578355    0.00   0.000807133  -0.000141006   0.000620553
 H     -2.677703      1.195287     -1.666454    0.00  -0.000007829   0.000002993  -0.000011208
 H     -2.589250      1.673695      0.993955    0.00   0.000059309   0.000003005  -0.000046131
 H     -2.294403      2.951931     -0.181308    0.00   0.000007557   0.000004650  -0.000064270
 H      0.218371      2.442044     -0.058980    0.00  -0.000034400   0.000003953   0.000016345
 H     -0.488628      3.130880      1.409560    0.00   0.000022741   0.000008367  -0.000057723
 H     -3.012402     -0.599777      0.035249    0.00   0.000017677  -0.000035532   0.000001444
 H     -0.609337      0.817303      2.454280    0.00   0.000116987   0.000027934   0.000024499
 H      1.074509      1.189230      1.901745    0.00   0.000086922  -0.000024951   0.000106864
 H     -0.920336      1.069482     -1.522517    0.00  -0.000001028  -0.000002054  -0.000009558
 O     -0.938772     -2.045934      1.017353    0.00  -0.000605245   0.000508707  -0.000853114
 C     -1.944527     -1.444312     -1.664543    0.00   0.000168414  -0.000157535   0.000177686
 H     -2.146409     -2.479005     -1.355475    0.00   0.000031537  -0.000008134   0.000024989
 H     -2.668188     -1.180764     -2.442016    0.00   0.000014270  -0.000020745   0.000002909
 H     -0.940919     -1.437132     -2.122095    0.00  -0.000006021  -0.000005905   0.000029594
 H      0.834682     -2.612591      1.043088    0.00  -0.000072006   0.000058186  -0.000027140
 O      0.159385     -0.161652      0.792326    0.00   0.000370053  -0.000818388   0.001341239
 O      1.401344     -1.644294     -1.107905    0.00  -0.001397168   0.001811386   0.000097059
 C      2.120792     -2.389820     -0.480818    0.00  -0.000110901  -0.000081778  -0.000318300
 H      3.118556     -2.753050     -0.733226    0.00   0.000101221  -0.000105703  -0.000015471
 O      1.751637     -2.924249      0.708056    0.00  -0.000238433  -0.000478534  -0.000401592
26
 Energy =      -0.304858533294
 C     -0.491212      2.229114      0.767625    0.00   0.000214274  -0.000023981  -0.000138523
 C     -1.890792      1.995363      0.192543    0.00   0.000312848   0.000008872  -0.000437870
 C     -1.864874      0.971348     -0.947085    0.00   0.000037321  -0.000084560  -0.000155474
 C     -2.018040     -0.476902     -0.471167    0.00   0.000124096  -0.000280818   0.000025583
 C     -0.959177     -0.941745      0.509482    0.00  -0.000053737  -0.000176350   0.000059670
 C      0.014504      1.048057      1.584938    0.00   0.000817539  -0.000136139   0.000645414
 H     -2.676429      1.194854     -1.668152    0.00  -0.000010498   0.000002723  -0.000014012
 H     -2.591854      1.682151      0.989238    0.00   0.000060422   0.000004779  -0.000048844
 H     -2.291181      2.956456     -0.188820    0.00   0.000005343   0.000005051  -0.000067178
 H      0.221071      2.437797     -0.059077    0.00  -0.000035063   0.000001671   0.000018739
 H     -0.487696      3.137021      1.403593    0.00   0.000022668   0.000008452  -0.000055563
 H     -3.011144     -0.595631      0.038551    0.00   0.000018469  -0.000036902   0.000001325
 H     -0.624652      0.826147      2.456782    0.00   0.000117807   0.000030154   0.000025066
 H      1.063925      1.194133      1.915908    0.00   0.000089125  -0.000024069   0.000110644
 H     -0.919234      1.069873     -1.523361    0.00  -0.000004277  -0.000003357  -0.000009490
 O     -0.934562     -2.049698      1.009280    0.00  -0.000600646   0.000482502  -0.000859596
 C     -1.945764     -1.442855     -1.661762    0.00   0.000168775  -0.000145389   0.000206234
 H     -2.150117     -2.476849     -1.351877    0.00   0.000029895  -0.000009502   0.000027722
 H     -2.668341     -1.178218     -2.439796    0.00   0.000014821  -0.000018002   0.000008719
 H     -0.941816     -1.438943     -2.118780    0.00  -0.000004396  -0.000002749   0.000029795
 H      0.834392     -2.620839      1.037079    0.00  -0.000062446   0.000051212  -0.000026213
 O      0.156160     -0.160213      0.805615    0.00   0.000383713  -0.000818606   0.001362353
 O      1.397992     -1.659837     -1.118243    0.00  -0.001402401   0.001758622   0.000026958
 C      2.124860     -2.390370     -0.482035    0.00  -0.000141010  -0.000032836  -0.000311373
 H      3.129222     -2.740341     -0.726856    0.00   0.000084993  -0.000093165  -0.000016571
 O      1.757087     -2.922569      0.708104    0.00  -0.000187633  -0.000467614  -0.000407514
26
 Energy =      -0.305067778781
 C     -0.491925      2.231824      0.766577    0.00   0.000211252  -0.000027522  -0.000124210
 C     -1.890534      2.000072      0.188542    0.00   0.000306338   0.000014593  -0.000455353
 C     -1.863538      0.972763     -0.947913    0.00   0.000017013  -0.000087677  -0.000168395
 C     -2.017145     -0.474370     -0.468915    0.00   0.000122023  -0.000281431   0.000029554
 C     -0.958205     -0.941034      0.510965    0.00  -0.000051657  -0.000181159   0.000063519
 C      0.005911      1.053092      1.591707    0.00   0.000827285  -0.000130116   0.000667638
 H     -2.674728      1.194317     -1.670136    0.00  -0.000013070   0.000002427  -0.000016768
 H     -2.594580      1.690769      0.984140    0.00   0.000061514   0.000006465  -0.000051605
 H     -2.287640      2.960972     -0.196731    0.00   0.000003171   0.000005392  -0.000070034
 H      0.223911      2.433495     -0.058792    0.00  -0.000035639  -0.000000466   0.000020953
 H     -0.486907      3.143047      1.397803    0.00   0.000022563   0.000008499  -0.000053532
 H     -3.009861     -0.591290      0.041983    0.00   0.000019383  -0.000038205   0.000001170
 H     -0.640391      0.834919      2.459251    0.00   0.000118546   0.000032270   0.000025486
 H      1.052936      1.199028      1.930476    0.00   0.000091184  -0.000023079   0.000114008
 H     -0.917747      1.069998     -1.524106    0.00  -0.000007405  -0.000004613  -0.000009367
 O     -0.930210     -2.053322      1.001276    0.00  -0.000593976   0.000458121  -0.000863791
 C     -1.947254     -1.441577     -1.658813    0.00   0.000170083  -0.000133923   0.000234188
 H     -2.153785     -2.474862     -1.347890    0.00   0.000028670  -0.000010707   0.000030399
 H     -2.669086     -1.176096     -2.437174    0.00   0.000015333  -0.000015612   0.000014104
 H     -0.943157     -1.440825     -2.115671    0.00  -0.000002901   0.000000192   0.000030333
 H      0.834426     -2.627911      1.031344    0.00  -0.000053994   0.000044793  -0.000025715
 O      0.152762     -0.158746      0.819095    0.00   0.000396774  -0.000816551   0.001383047
 O      1.395323     -1.675158     -1.128685    0.00  -0.001402593   0.001704456  -0.000035403
 C      2.128737     -2.391354     -0.483648    0.00  -0.000172817   0.000011819  -0.000306394
 H      3.138923     -2.729248     -0.721360    0.00   0.000069674  -0.000081543  -0.000017766
 O      1.762265     -2.920583      0.708046    0.00  -0.000146754  -0.000456423  -0.000416068
26
 Energy =      -0.305276392145
 C     -0.492670      2.234472      0.765670    0.00   0.000207695  -0.000030479  -0.000111154
 C     -1.890168      2.004785      0.184332    0.00   0.000299948   0.000019878  -0.000472918
 C     -1.861965      0.974078     -0.948837    0.00  -0.000002220  -0.000090538  -0.000180874
 C     -2.016255     -0.471859     -0.466613    0.00   0.000120980  -0.000281691   0.000033685
 C     -0.957245     -0.940296      0.512516    0.00  -0.000049170  -0.000185063   0.000067436
 C     -0.002936      1.058088      1.598627    0.00   0.000835579  -0.000122671   0.000687332
 H     -2.672616      1.193688     -1.672398    0.00  -0.000015539   0.000002111  -0.000019420
 H     -2.597420      1.699552      0.978669    0.00   0.000062553   0.000008047  -0.000054420
 H     -2.283781      2.965481     -0.205031    0.00   0.000000984   0.000005645  -0.000072830
 H      0.226881      2.429144     -0.058144    0.00  -0.000036173  -0.000002471   0.000023037
 H     -0.486244      3.148953      1.392183    0.00   0.000022348   0.000008506  -0.000051595
 H     -3.008567     -0.586748      0.045539    0.00   0.000020352  -0.000039460   0.000000990
 H     -0.656517      0.843617      2.461663    0.00   0.000119092   0.000034383   0.000025728
 H      1.041557      1.203906      1.945390    0.00   0.000093071  -0.000021933   0.000117031
 H     -0.915891      1.069865     -1.524753    0.00  -0.000010404  -0.000005789  -0.000009189
 O     -0.925745     -2.056805      0.993351    0.00  -0.000585769   0.000434825  -0.000866136
 C     -1.948995     -1.440470     -1.655696    0.00   0.000172289  -0.000122739   0.000261487
 H     -2.157457     -2.473028     -1.343529    0.00   0.000027800  -0.000011739   0.000033009
 H     -2.670388     -1.174357     -2.434180    0.00   0.000015846  -0.000013496   0.000019120
 H     -0.944922     -1.442791     -2.112731    0.00  -0.000001504   0.000002983   0.000031130
 H      0.834784     -2.633901      1.025866    0.00  -0.000046621   0.000038841  -0.000025581
 O      0.149190     -0.157266      0.832736    0.00   0.000408754  -0.000811783   0.001401248
 O      1.393286     -1.690218     -1.139161    0.00  -0.001396128   0.001647774  -0.000089183
 C      2.132465     -2.392758     -0.485642    0.00  -0.000204420   0.000052230  -0.000302729
 H      3.147771     -2.719718     -0.716740    0.00   0.000055534  -0.000070676  -0.000018927
 O      1.767227     -2.918349      0.707868    0.00  -0.000114876  -0.000444694  -0.000426276
26
 Energy =      -0.305484252758
 C     -0.493441      2.237057      0.764887    0.00   0.000203159  -0.000032970  -0.000099140
 C     -1.889689      2.009509      0.179914    0.00   0.000293256   0.000024643  -0.000490437
 C     -1.860162      0.975301     -0.949854    0.00  -0.000020594  -0.000093075  -0.000192813
 C     -2.015380     -0.469367     -0.464262    0.00   0.000120534  -0.000281501   0.000037872
 C     -0.956302     -0.939533      0.514129    0.00  -0.000046812  -0.000187979   0.000070933
 C     -0.012029      1.063036      1.605673    0.00   0.000841808  -0.000113699   0.000704522
 H     -2.670105      1.192969     -1.674931    0.00  -0.000017907   0.000001782  -0.000021937
 H     -2.600361      1.708508      0.972825    0.00   0.000063498   0.000009517  -0.000057295
 H     -2.279592      2.969987     -0.213715    0.00  -0.000001266   0.000005794  -0.000075548
 H      0.229982      2.424744     -0.057153    0.00  -0.000036687  -0.000004360   0.000025030
 H     -0.485686      3.154733      1.386727    0.00   0.000021969   0.000008472  -0.000049723
 H     -3.007268     -0.581999      0.049216    0.00   0.000021322  -0.000040678   0.000000787
 H     -0.673013      0.852230      2.463992    0.00   0.000119352   0.000036561   0.000025760
 H      1.029797      1.208758      1.960612    0.00   0.000094770  -0.000020589   0.000119755
 H     -0.913676      1.069476     -1.525308    0.00  -0.000013279  -0.000006866  -0.000008963
 O     -0.921180     -2.060145      0.985510    0.00  -0.000576467   0.000412072  -0.000866974
 C     -1.950993     -1.439520     -1.652414    0.00   0.000175349  -0.000111468   0.000288093
 H     -2.161178     -2.471332     -1.338807    0.00   0.000027231  -0.000012589   0.000035545
 H     -2.672219     -1.172959     -2.430832    0.00   0.000016398  -0.000011590   0.000023823
 H     -0.947101     -1.444855     -2.109929    0.00  -0.000000175   0.000005685   0.000032117
 H      0.835467     -2.638907      1.020632    0.00  -0.000040247   0.000033276  -0.000025720
 O      0.145444     -0.155782      0.846506    0.00   0.000419300  -0.000803997   0.001415422
 O      1.391813     -1.704979     -1.149604    0.00  -0.001381703   0.001587758  -0.000134059
 C      2.136072     -2.394556     -0.487997    0.00  -0.000234397   0.000088511  -0.000299801
 H      3.155863     -2.711680     -0.712995    0.00   0.000042676  -0.000060431  -0.000019989
 O      1.772022     -2.915921      0.707556    0.00  -0.000091088  -0.000432279  -0.000437261
26
 Energy =      -0.305691066274
 C     -0.494226      2.239573      0.764221    0.00   0.000197382  -0.000035112  -0.000087980
 C     -1.889089      2.014249      0.175282    0.00   0.000285919   0.000028840  -0.000507765
 C     -1.858136      0.976432     -0.950966    0.00  -0.000038338  -0.000095265  -0.000204157
 C     -2.014523     -0.466887     -0.461863    0.00   0.000120349  -0.000280742   0.000042010
 C     -0.955375     -0.938750      0.515796    0.00  -0.000044973  -0.000189882   0.000073681
 C     -0.021364      1.067924      1.612821    0.00   0.000845551  -0.000103199   0.000719225
 H     -2.667208      1.192166     -1.677727    0.00  -0.000020184   0.000001436  -0.000024307
 H     -2.603390      1.717648      0.966603    0.00   0.000064313   0.000010873  -0.000060228
 H     -2.275056      2.974496     -0.222782    0.00  -0.000003619   0.000005833  -0.000078166
 H      0.233217      2.420284     -0.055830    0.00  -0.000037187  -0.000006149   0.000026966
 H     -0.485211      3.160382      1.381426    0.00   0.000021403   0.000008400  -0.000047882
 H     -3.005966     -0.577037      0.053017    0.00   0.000022255  -0.000041868   0.000000559
 H     -0.689872      0.860745      2.466210    0.00   0.000119257   0.000038830   0.000025554
 H      1.017654      1.213572      1.976124    0.00   0.000096270  -0.000019016   0.000122203
 H     -0.911115      1.068831     -1.525775    0.00  -0.000016039  -0.000007839  -0.000008690
 O     -0.916521     -2.063345      0.977743    0.00  -0.000566438   0.000389494  -0.000866552
 C     -1.953257     -1.438717     -1.648967    0.00   0.000179234  -0.000099817   0.000314002
 H     -2.164989     -2.469760     -1.333734    0.00   0.000026915  -0.000013255   0.000038002
 H     -2.674566     -1.171872     -2.427146    0.00   0.000017010  -0.000009839   0.000028263
 H     -0.949693     -1.447030     -2.107246    0.00   0.000001113   0.000008351   0.000033245
 H      0.836472     -2.643025      1.015633    0.00  -0.000034765   0.000028035  -0.000026038
 O      0.141531     -0.154300      0.860379    0.00   0.000428219  -0.000793064   0.001424571
 O      1.390836     -1.719404     -1.159953    0.00  -0.001358488   0.001523985  -0.000170211
 C      2.139579     -2.396721     -0.490688    0.00  -0.000261767   0.000120813  -0.000297104
 H      3.163284     -2.705050     -0.710110    0.00   0.000031095  -0.000050716  -0.000020921
 O      1.776697     -2.913349      0.707101    0.00  -0.000074486  -0.000419127  -0.000448278
26
 Energy =      -0.305896430658
 C     -0.495015      2.242015      0.763660    0.00   0.000190269  -0.000037000  -0.000077523
 C     -1.888358      2.019007      0.170434    0.00   0.000277673   0.000032453  -0.000524764
 C     -1.855891      0.977474     -0.952172    0.00  -0.000055657  -0.000097117  -0.000214893
 C     -2.013690     -0.464417     -0.459413    0.00   0.000120175  -0.000279346   0.000046032
 C     -0.954460     -0.937951      0.517507    0.00  -0.000043874  -0.000190751   0.000075505
 C     -0.030938      1.072743      1.620056    0.00   0.000846625  -0.000091284   0.000731480
 H     -2.663931      1.191278     -1.680780    0.00  -0.000022383   0.000001072  -0.000026530
 H     -2.606496      1.726987      0.959997    0.00   0.000064961   0.000012118  -0.000063222
 H     -2.270153      2.979011     -0.232238    0.00  -0.000006103   0.000005762  -0.000080651
 H      0.236594      2.415754     -0.054186    0.00  -0.000037668  -0.000007854   0.000028864
 H     -0.484799      3.165892      1.376276    0.00   0.000020645   0.000008286  -0.000046043
 H     -3.004658     -0.571856      0.056950    0.00   0.000023122  -0.000043035   0.000000301
 H     -0.707096      0.869144      2.468290    0.00   0.000118768   0.000041186   0.000025093
 H      1.005121      1.218338      1.991914    0.00   0.000097565  -0.000017196   0.000124383
 H     -0.908217      1.067931     -1.526163    0.00  -0.000018699  -0.000008716  -0.000008369
 O     -0.911766     -2.066409      0.970050    0.00  -0.000555986   0.000366878  -0.000865064
 C     -1.955800     -1.438056     -1.645358    0.00   0.000183908  -0.000087574   0.000339231
 H     -2.168929     -2.468300     -1.328319    0.00   0.000026815  -0.000013737   0.000040375
 H     -2.677423     -1.171064     -2.423132    0.00   0.000017704  -0.000008203   0.000032488
 H     -0.952701     -1.449329     -2.104667    0.00   0.000002386   0.000011026   0.000034477
 H      0.837801     -2.646343      1.010865    0.00  -0.000030064   0.000023071  -0.000026452
 O      0.137456     -0.152826      0.874328    0.00   0.000435405  -0.000779039   0.001428195
 O      1.390288     -1.733459     -1.170151    0.00  -0.001326214   0.001456421  -0.000198218
 C      2.143002     -2.399222     -0.493693    0.00  -0.000285935   0.000149284  -0.000294262
 H      3.170102     -2.699744     -0.708071    0.00   0.000020731  -0.000041482  -0.000021706
 O      1.781291     -2.910677      0.706497    0.00  -0.000064169  -0.000405222  -0.000458727
26
 Energy =       -0.30609990149
 C     -0.495800      2.244377      0.763199    0.00   0.000181850  -0.000038718  -0.000067636
 C     -1.887481      2.023788      0.165361    0.00   0.000268355   0.000035497  -0.000541305
 C     -1.853424      0.978427     -0.953474    0.00  -0.000072729  -0.000098667  -0.000225029
 C     -2.012880     -0.461956     -0.456913    0.00   0.000119840  -0.000277276   0.000049880
 C     -0.953549     -0.937144      0.519249    0.00  -0.000043633  -0.000190622   0.000076335
 C     -0.040753      1.077479      1.627362    0.00   0.000845020  -0.000078149   0.000741344
 H     -2.660280      1.190305     -1.684085    0.00  -0.000024522   0.000000685  -0.000028612
 H     -2.609666      1.736537      0.952996    0.00   0.000065411   0.000013254  -0.000066267
 H     -2.264855      2.983532     -0.242090    0.00  -0.000008734   0.000005586  -0.000082981
 H      0.240121      2.411145     -0.052227    0.00  -0.000038117  -0.000009485   0.000030739
 H     -0.484430      3.171258      1.371270    0.00   0.000019709   0.000008134  -0.000044193
 H     -3.003340     -0.566450      0.061023    0.00   0.000023907  -0.000044184   0.000000003
 H     -0.724690      0.877411      2.470207    0.00   0.000117873   0.000043612   0.000024370
 H      0.992186      1.223042      2.007978    0.00   0.000098662  -0.000015127   0.000126296
 H     -0.904983      1.066770     -1.526477    0.00  -0.000021269  -0.000009503  -0.000007997
 O     -0.906909     -2.069344      0.962417    0.00  -0.000545347   0.000344153  -0.000862657
 C     -1.958637     -1.437529     -1.641586    0.00   0.000189333  -0.000074613   0.000363821
 H     -2.173040     -2.466942     -1.322566    0.00   0.000026898  -0.000014047   0.000042665
 H     -2.680798     -1.170510     -2.418793    0.00   0.000018487  -0.000006656   0.000036535
 H     -0.956143     -1.451768     -2.102182    0.00   0.000003666   0.000013735   0.000035788
 H      0.839455     -2.648939      1.006326    0.00  -0.000026040   0.000018362  -0.000026902
 O      0.133225     -0.151363      0.888330    0.00   0.000440891  -0.000762126   0.001426269
 O      1.390103     -1.747108     -1.180149    0.00  -0.001285176   0.001385374  -0.000218965
 C      2.146348     -2.402028     -0.496989    0.00  -0.000306592   0.000174094  -0.000291018
 H      3.176373     -2.695683     -0.706860    0.00   0.000011502  -0.000032701  -0.000022333
 O      1.785839     -2.907942      0.705741    0.00  -0.000059246  -0.000390609  -0.000468151
26
 Energy =      -0.306301049379
 C     -0.496569      2.246653      0.762831    0.00   0.000172267  -0.000040319  -0.000058248
 C     -1.886447      2.028593      0.160058    0.00   0.000257885   0.000037996  -0.000557282
 C     -1.850735      0.979288     -0.954873    0.00  -0.000089690  -0.000099958  -0.000234589
 C     -2.012097     -0.459503     -0.454362    0.00   0.000119254  -0.000274528   0.000053530
 C     -0.952636     -0.936335      0.521011    0.00  -0.000044235  -0.000189554   0.000076209
 C     -0.050810      1.082123      1.634727    0.00   0.000840894  -0.000064025   0.000748928
 H     -2.656250      1.189245     -1.687638    0.00  -0.000026612   0.000000271  -0.000030565
 H     -2.612886      1.746309      0.945588    0.00   0.000065646   0.000014288  -0.000069364
 H     -2.259139      2.988061     -0.252347    0.00  -0.000011520   0.000005313  -0.000085129
 H      0.243809      2.406447     -0.049953    0.00  -0.000038524  -0.000011051   0.000032595
 H     -0.484089      3.176475      1.366406    0.00   0.000018623   0.000007947  -0.000042320
 H     -3.002006     -0.560812      0.065245    0.00   0.000024597  -0.000045316  -0.000000344
 H     -0.742661      0.885526      2.471933    0.00   0.000116586   0.000046067   0.000023391
 H      0.978840      1.227674      2.024312    0.00   0.000099572  -0.000012819   0.000127942
 H     -0.901415      1.065341     -1.526719    0.00  -0.000023762  -0.000010214  -0.000007571
 O     -0.901942     -2.072153      0.954839    0.00  -0.000534722   0.000321360  -0.000859458
 C     -1.961789     -1.437134     -1.637650    0.00   0.000195466  -0.000060917   0.000387823
 H     -2.177358     -2.465681     -1.316480    0.00   0.000027140  -0.000014198   0.000044872
 H     -2.684701     -1.170187     -2.414127    0.00   0.000019363  -0.000005186   0.000040440
 H     -0.960035     -1.454358     -2.099792    0.00   0.000004967   0.000016499   0.000037166
 H      0.841434     -2.650881      1.002016    0.00  -0.000022596   0.000013900  -0.000027346
 O      0.128843     -0.149914      0.902363    0.00   0.000444746  -0.000742678   0.001419115
 O      1.390223     -1.760314     -1.189901    0.00  -0.001236156   0.001311431  -0.000233533
 C      2.149624     -2.405108     -0.500549    0.00  -0.000323665   0.000195409  -0.000287238
 H      3.182140     -2.692793     -0.706461    0.00   0.000003328  -0.000024378  -0.000022789
 O      1.790369     -2.905182      0.704831    0.00  -0.000058849  -0.000375339  -0.000476234
26
 Energy =      -0.306499504999
 C     -0.497312      2.248838      0.762555    0.00   0.000161710  -0.000041837  -0.000049307
 C     -1.885239      2.033418      0.154517    0.00   0.000246267   0.000039992  -0.000572622
 C     -1.847816      0.980052     -0.956370    0.00  -0.000106627  -0.000101041  -0.000243602
 C     -2.011338     -0.457058     -0.451763    0.00   0.000118380  -0.000271151   0.000056972
 C     -0.951714     -0.935530      0.522781    0.00  -0.000045613  -0.000187643   0.000075227
 C     -0.061110      1.086665      1.642140    0.00   0.000834527  -0.000049179   0.000754360
 H     -2.651838      1.188093     -1.691441    0.00  -0.000028671  -0.000000172  -0.000032401
 H     -2.616142      1.756308      0.937761    0.00   0.000065649   0.000015224  -0.000072500
 H     -2.252976      2.992594     -0.263014    0.00  -0.000014455   0.000004954  -0.000087080
 H      0.247666      2.401652     -0.047363    0.00  -0.000038874  -0.000012556   0.000034430
 H     -0.483762      3.181532      1.361687    0.00   0.000017418   0.000007730  -0.000040429
 H     -3.000648     -0.554933      0.069625    0.00   0.000025192  -0.000046433  -0.000000748
 H     -0.761009      0.893473      2.473445    0.00   0.000114944   0.000048515   0.000022172
 H      0.965072      1.232222      2.040914    0.00   0.000100307  -0.000010294   0.000129319
 H     -0.897508      1.063634     -1.526893    0.00  -0.000026185  -0.000010862  -0.000007088
 O     -0.896854     -2.074845      0.947307    0.00  -0.000524266   0.000298632  -0.000855582
 C     -1.965276     -1.436869     -1.633551    0.00   0.000202263  -0.000046540   0.000411295
 H     -2.181920     -2.464510     -1.310060    0.00   0.000027517  -0.000014212   0.000047000
 H     -2.689152     -1.170081     -2.409130    0.00   0.000020327  -0.000003787   0.000044227
 H     -0.964402     -1.457114     -2.097493    0.00   0.000006302   0.000019321   0.000038605
 H      0.843738     -2.652228      0.997938    0.00  -0.000019655   0.000009695  -0.000027766
 O      0.124319     -0.148480      0.916405    0.00   0.000447120  -0.000721118   0.001407350
 O      1.390596     -1.773039     -1.199371    0.00  -0.001180342   0.001235362  -0.000243085
 C      2.152826     -2.408431     -0.504354    0.00  -0.000337227   0.000213403  -0.000282911
 H      3.187440     -2.691009     -0.706850    0.00  -0.000003860  -0.000016526  -0.000023063
 O      1.794904     -2.902427      0.703767    0.00  -0.000062145  -0.000359477  -0.000482774
26
 Energy =      -0.306694989979
 C     -0.498022      2.250925      0.762367    0.00   0.000150418  -0.000043282  -0.000040805
 C     -1.883843      2.038261      0.148733    0.00   0.000233563   0.000041529  -0.000587281
 C     -1.844662      0.980715     -0.957969    0.00  -0.000123586  -0.000101960  -0.000252102
 C     -2.010605     -0.454624     -0.449114    0.00   0.000117229  -0.000267215   0.000060219
 C     -0.950775     -0.934738      0.524550    0.00  -0.000047628  -0.000184995   0.000073539
 C     -0.071650      1.091093      1.649589    0.00   0.000826270  -0.000033858   0.000757817
 H     -2.647036      1.186847     -1.695494    0.00  -0.000030707  -0.000000647  -0.000034130
 H     -2.619419      1.766538      0.929503    0.00   0.000065424   0.000016071  -0.000075668
 H     -2.246345      2.997122     -0.274097    0.00  -0.000017526   0.000004524  -0.000088821
 H      0.251700      2.396754     -0.044459    0.00  -0.000039162  -0.000013998   0.000036235
 H     -0.483437      3.186425      1.357112    0.00   0.000016134   0.000007487  -0.000038525
 H     -2.999260     -0.548806      0.074171    0.00   0.000025691  -0.000047538  -0.000001219
 H     -0.779732      0.901234      2.474722    0.00   0.000112994   0.000050909   0.000020739
 H      0.950874      1.236674      2.057772    0.00   0.000100886  -0.000007584   0.000130431
 H     -0.893258      1.061641     -1.526999    0.00  -0.000028540  -0.000011456  -0.000006544
 O     -0.891638     -2.077421      0.939815    0.00  -0.000514103   0.000276158  -0.000851144
 C     -1.969118     -1.436732     -1.629288    0.00   0.000209672  -0.000031616   0.000434299
 H     -2.186757     -2.463423     -1.303308    0.00   0.000028013  -0.000014111   0.000049055
 H     -2.694169     -1.170175     -2.403796    0.00   0.000021373  -0.000002464   0.000047917
 H     -0.969268     -1.460045     -2.095289    0.00   0.000007679   0.000022197   0.000040105
 H      0.846362     -2.653031      0.994092    0.00  -0.000017152   0.000005760  -0.000028156
 O      0.119656     -0.147064      0.930436    0.00   0.000448173  -0.000697940   0.001391772
 O      1.391179     -1.785243     -1.208525    0.00  -0.001119178   0.001158030  -0.000248785
 C      2.155959     -2.411968     -0.508378    0.00  -0.000347469   0.000228262  -0.000278115
 H      3.192300     -2.690269     -0.708001    0.00  -0.000010118  -0.000009165  -0.000023147
 O      1.799460     -2.899704      0.702551    0.00  -0.000068351  -0.000343095  -0.000487685
26
 Energy =      -0.306887333669
 C     -0.498691      2.252911      0.762264    0.00   0.000138618  -0.000044645  -0.000032749
 C     -1.882245      2.043116      0.142703    0.00   0.000219895   0.000042658  -0.000601247
 C     -1.841266      0.981270     -0.959669    0.00  -0.000140566  -0.000102758  -0.000260105
 C     -2.009898     -0.452203     -0.446417    0.00   0.000115858  -0.000262821   0.000063293
 C     -0.949814     -0.933963      0.526308    0.00  -0.000050133  -0.000181737   0.000071309
 C     -0.082424      1.095399      1.657060    0.00   0.000816521  -0.000018304   0.000759479
 H     -2.641836      1.185501     -1.699793    0.00  -0.000032729  -0.000001152  -0.000035760
 H     -2.622698      1.776996      0.920805    0.00   0.000064974   0.000016832  -0.000078854
 H     -2.239222      3.001637     -0.285593    0.00  -0.000020711   0.000004032  -0.000090356
 H      0.255914      2.391752     -0.041237    0.00  -0.000039381  -0.000015376   0.000038000
 H     -0.483108      3.191144      1.352685    0.00   0.000014805   0.000007227  -0.000036626
 H     -2.997836     -0.542426      0.078887    0.00   0.000026101  -0.000048633  -0.000001761
 H     -0.798822      0.908794      2.475744    0.00   0.000110798   0.000053213   0.000019126
 H      0.936245      1.241021      2.074875    0.00   0.000101327  -0.000004729   0.000131281
 H     -0.888659      1.059349     -1.527036    0.00  -0.000030829  -0.000012005  -0.000005938
 O     -0.886288     -2.079889      0.932358    0.00  -0.000504327   0.000254161  -0.000846264
 C     -1.973339     -1.436722     -1.624858    0.00   0.000217647  -0.000016327   0.000456897
 H     -2.191899     -2.462418     -1.296224    0.00   0.000028614  -0.000013923   0.000051040
 H     -2.699775     -1.170455     -2.398118    0.00   0.000022490  -0.000001228   0.000051524
 H     -0.974657     -1.463164     -2.093184    0.00   0.000009102   0.000025114   0.000041669
 H      0.849298     -2.653339      0.990478    0.00  -0.000015036   0.000002119  -0.000028516
 O      0.114862     -0.145667      0.944433    0.00   0.000448093  -0.000673632   0.001373292
 O      1.391935     -1.796891     -1.217335    0.00  -0.001054249   0.001080316  -0.000251737
 C      2.159020     -2.415688     -0.512599    0.00  -0.000354640   0.000240189  -0.000272985
 H      3.196747     -2.690512     -0.709884    0.00  -0.000015497  -0.000002318  -0.000023039
 O      1.804046     -2.897041      0.701183    0.00  -0.000076747  -0.000326274  -0.000490972
26
 Energy =      -0.307076477391
 C     -0.499310      2.254787      0.762247    0.00   0.000126534  -0.000045906  -0.000025172
 C     -1.880433      2.047975      0.136426    0.00   0.000205412   0.000043424  -0.000614542
 C     -1.837623      0.981712     -0.961470    0.00  -0.000157539  -0.000103460  -0.000267630
 C     -2.009218     -0.449799     -0.443675    0.00   0.000114339  -0.000258082   0.000066233
 C     -0.948830     -0.933212      0.528046    0.00  -0.000052963  -0.000177993   0.000068720
 C     -0.093426      1.099574      1.664540    0.00   0.000805684  -0.000002717   0.000759553
 H     -2.636232      1.184054     -1.704338    0.00  -0.000034742  -0.000001685  -0.000037296
 H     -2.625962      1.787673      0.911662    0.00   0.000064316   0.000017512  -0.000082043
 H     -2.231595      3.006126     -0.297500    0.00  -0.000023984   0.000003491  -0.000091689
 H      0.260315      2.386647     -0.037697    0.00  -0.000039533  -0.000016682   0.000039711
 H     -0.482768      3.195684      1.348411    0.00   0.000013461   0.000006957  -0.000034751
 H     -2.996370     -0.535790      0.083779    0.00   0.000026430  -0.000049717  -0.000002377
 H     -0.818259      0.916143      2.476493    0.00   0.000108421   0.000055396   0.000017372
 H      0.921187      1.245254      2.092198    0.00   0.000101648  -0.000001772   0.000131881
 H     -0.883709      1.056752     -1.527002    0.00  -0.000033046  -0.000012514  -0.000005270
 O     -0.880799     -2.082251      0.924937    0.00  -0.000495005   0.000232873  -0.000841063
 C     -1.977953     -1.436839     -1.620263    0.00   0.000226141  -0.000000887   0.000479142
 H     -2.197372     -2.461492     -1.288808    0.00   0.000029308  -0.000013672   0.000052961
 H     -2.705987     -1.170910     -2.392086    0.00   0.000023666  -0.000000090   0.000055056
 H     -0.980592     -1.466480     -2.091180    0.00   0.000010574   0.000028053   0.000043302
 H      0.852534     -2.653195      0.987091    0.00  -0.000013263  -0.000001208  -0.000028853
 O      0.109942     -0.144294      0.958379    0.00   0.000447063  -0.000648669   0.001352833
 O      1.392836     -1.807945     -1.225781    0.00  -0.000987163   0.001003057  -0.000252912
 C      2.162006     -2.419563     -0.516993    0.00  -0.000359025   0.000249399  -0.000267720
 H      3.200803     -2.691675     -0.712458    0.00  -0.000020039   0.000003995  -0.000022747
 O      1.808668     -2.894459      0.699666    0.00  -0.000086695  -0.000309104  -0.000492700
26
 Energy =        -0.3072624685
 C     -0.499875      2.256552      0.762310    0.00   0.000114350  -0.000047032  -0.000018116
 C     -1.878394      2.052827      0.129905    0.00   0.000190280   0.000043867  -0.000627207
 C     -1.833730      0.982034     -0.963372    0.00  -0.000174437  -0.000104081  -0.000274681
 C     -2.008567     -0.447414     -0.440887    0.00   0.000112759  -0.000253118   0.000069080
 C     -0.947817     -0.932489      0.529759    0.00  -0.000055960  -0.000173876   0.000065943
 C     -0.104641      1.103612      1.672011    0.00   0.000794141   0.000012740   0.000758258
 H     -2.630219      1.182499     -1.709126    0.00  -0.000036743  -0.000002241  -0.000038740
 H     -2.629190      1.798557      0.902072    0.00   0.000063470   0.000018115  -0.000085222
 H     -2.223450      3.010576     -0.309805    0.00  -0.000027315   0.000002911  -0.000092831
 H      0.264898      2.381441     -0.033845    0.00  -0.000039627  -0.000017913   0.000041353
 H     -0.482411      3.200037      1.344293    0.00   0.000012129   0.000006683  -0.000032919
 H     -2.994859     -0.528893      0.088847    0.00   0.000026687  -0.000050793  -0.000003064
 H     -0.838018      0.923268      2.476955    0.00   0.000105927   0.000057433   0.000015520
 H      0.905710      1.249366      2.109715    0.00   0.000101864   0.000001239   0.000132245
 H     -0.878404      1.053839     -1.526893    0.00  -0.000035189  -0.000012984  -0.000004543
 O     -0.875173     -2.084510      0.917551    0.00  -0.000486181   0.000212506  -0.000835668
 C     -1.982978     -1.437081     -1.615500    0.00   0.000235117   0.000014483   0.000501074
 H     -2.203195     -2.460641     -1.281061    0.00   0.000030083  -0.000013384   0.000054824
 H     -2.712821     -1.171528     -2.385697    0.00   0.000024888   0.000000937   0.000058519
 H     -0.987093     -1.469996     -2.089280    0.00   0.000012093   0.000030995   0.000045009
 H      0.856055     -2.652646      0.983926    0.00  -0.000011798  -0.000004204  -0.000029171
 O      0.104903     -0.142947      0.972252    0.00   0.000445265  -0.000623478   0.001331282
 O      1.393860     -1.818374     -1.233848    0.00  -0.000919436   0.000926996  -0.000253147
 C      2.164919     -2.423558     -0.521535    0.00  -0.000360932   0.000256114  -0.000262509
 H      3.204489     -2.693696     -0.715681    0.00  -0.000023794   0.000009762  -0.000022286
 O      1.813325     -2.891980      0.698003    0.00  -0.000097640  -0.000291675  -0.000493003
26
 Energy =      -0.307445447156
 C     -0.500379      2.258201      0.762450    0.00   0.000102207  -0.000047997  -0.000011620
 C     -1.876121      2.057660      0.123145    0.00   0.000174666   0.000044021  -0.000639301
 C     -1.829584      0.982231     -0.965371    0.00  -0.000191183  -0.000104627  -0.000281254
 C     -2.007946     -0.445052     -0.438058    0.00   0.000111207  -0.000248046   0.000071885
 C     -0.946779     -0.931800      0.531441    0.00  -0.000058986  -0.000169496   0.000063125
 C     -0.116055      1.107507      1.679458    0.00   0.000782236   0.000027944   0.000755803
 H     -2.623796      1.180834     -1.714150    0.00  -0.000038729  -0.000002811  -0.000040089
 H     -2.632364      1.809633      0.892038    0.00   0.000062465   0.000018642  -0.000088372
 H     -2.214782      3.014970     -0.322491    0.00  -0.000030671   0.000002300  -0.000093808
 H      0.269661      2.376139     -0.029684    0.00  -0.000039675  -0.000019059   0.000042914
 H     -0.482034      3.204198      1.340332    0.00   0.000010826   0.000006411  -0.000031156
 H     -2.993296     -0.521738      0.094091    0.00   0.000026882  -0.000051859  -0.000003819
 H     -0.858069      0.930164      2.477118    0.00   0.000103381   0.000059312   0.000013614
 H      0.889828      1.253348      2.127391    0.00   0.000101989   0.000004260   0.000132393
 H     -0.872749      1.050606     -1.526709    0.00  -0.000037251  -0.000013412  -0.000003764
 O     -0.869412     -2.086670      0.910200    0.00  -0.000477875   0.000193247  -0.000830199
 C     -1.988422     -1.437446     -1.610571    0.00   0.000244537   0.000029570   0.000522731
 H     -2.209381     -2.459859     -1.272988    0.00   0.000030931  -0.000013079   0.000056635
 H     -2.720286     -1.172296     -2.378943    0.00   0.000026148   0.000001841   0.000061913
 H     -0.994176     -1.473717     -2.087482    0.00   0.000013658   0.000033914   0.000046789
 H      0.859841     -2.651732      0.980970    0.00  -0.000010607  -0.000006858  -0.000029473
 O      0.099750     -0.141631      0.986035    0.00   0.000442881  -0.000598420   0.001309443
 O      1.394990     -1.828152     -1.241530    0.00  -0.000852426   0.000852760  -0.000253116
 C      2.167758     -2.427646     -0.526202    0.00  -0.000360668   0.000260563  -0.000257554
 H      3.207828     -2.696504     -0.719497    0.00  -0.000026814   0.000014974  -0.000021685
 O      1.818013     -2.889620      0.696199    0.00  -0.000109128  -0.000274094  -0.000492037
26
 Energy =      -0.307625628621
 C     -0.500816      2.259730      0.762664    0.00   0.000090204  -0.000048771  -0.000005727
 C     -1.873607      2.062465      0.116153    0.00   0.000158732   0.000043917  -0.000650899
 C     -1.825190      0.982298     -0.967465    0.00  -0.000207687  -0.000105088  -0.000287340
 C     -2.007358     -0.442714     -0.435187    0.00   0.000109769  -0.000242972   0.000074689
 C     -0.945713     -0.931147      0.533087    0.00  -0.000061920  -0.000164946   0.000060405
 C     -0.127650      1.111256      1.686862    0.00   0.000770273   0.000042815   0.000752406
 H     -2.616967      1.179056     -1.719401    0.00  -0.000040690  -0.000003388  -0.000041339
 H     -2.635461      1.820880      0.881569    0.00   0.000061325   0.000019096  -0.000091478
 H     -2.205590      3.019292     -0.335540    0.00  -0.000034025   0.000001665  -0.000094637
 H      0.274597      2.370746     -0.025225    0.00  -0.000039691  -0.000020116   0.000044381
 H     -0.481632      3.208164      1.336528    0.00   0.000009562   0.000006146  -0.000029482
 H     -2.991683     -0.514327      0.099508    0.00   0.000027026  -0.000052916  -0.000004632
 H     -0.878372      0.936827      2.476973    0.00   0.000100837   0.000061028   0.000011695
 H      0.873562      1.257199      2.145186    0.00   0.000102036   0.000007246   0.000132348
 H     -0.866749      1.047051     -1.526445    0.00  -0.000039227  -0.000013794  -0.000002938
 O     -0.863522     -2.088732      0.902887    0.00  -0.000470087   0.000175240  -0.000824777
 C     -1.994292     -1.437929     -1.605473    0.00   0.000254379   0.000044186   0.000544130
 H     -2.215943     -2.459144     -1.264593    0.00   0.000031844  -0.000012777   0.000058399
 H     -2.728384     -1.173199     -2.371824    0.00   0.000027436   0.000002615   0.000065239
 H     -1.001847     -1.477643     -2.085787    0.00   0.000015267   0.000036790   0.000048644
 H      0.863867     -2.650495      0.978209    0.00  -0.000009664  -0.000009171  -0.000029759
 O      0.094490     -0.140352      0.999709    0.00   0.000440068  -0.000573781   0.001287997
 O      1.396217     -1.837260     -1.248822    0.00  -0.000787271   0.000780838  -0.000253334
 C      2.170525     -2.431792     -0.530967    0.00  -0.000358548   0.000262974  -0.000253023
 H      3.210843     -2.700026     -0.723853    0.00  -0.000029166   0.000019630  -0.000020976
 O      1.822726     -2.887394      0.694259    0.00  -0.000120783  -0.000256467  -0.000489994
26
 Energy =      -0.307803283818
 C     -0.501184      2.261138      0.762945    0.00   0.000078398  -0.000049333  -0.000000461
 C     -1.870847      2.067228      0.108940    0.00   0.000142618   0.000043574  -0.000662077
 C     -1.820552      0.982230     -0.969648    0.00  -0.000223853  -0.000105448  -0.000292922
 C     -2.006804     -0.440405     -0.432278    0.00   0.000108524  -0.000237988   0.000077538
 C     -0.944626     -0.930534      0.534696    0.00  -0.000064670  -0.000160296   0.000057881
 C     -0.139404      1.114856      1.694205    0.00   0.000758491   0.000057303   0.000748261
 H     -2.609742      1.177163     -1.724865    0.00  -0.000042615  -0.000003962  -0.000042487
 H     -2.638462      1.832278      0.870676    0.00   0.000060082   0.000019477  -0.000094524
 H     -2.195880      3.023525     -0.348923    0.00  -0.000037348   0.000001011  -0.000095347
 H      0.279698      2.365267     -0.020479    0.00  -0.000039694  -0.000021078   0.000045748
 H     -0.481202      3.211928      1.332880    0.00   0.000008341   0.000005894  -0.000027913
 H     -2.990015     -0.506664      0.105090    0.00   0.000027129  -0.000053960  -0.000005492
 H     -0.898888      0.943257      2.476513    0.00   0.000098345   0.000062583   0.000009798
 H      0.856934      1.260913      2.163056    0.00   0.000102018   0.000010163   0.000132134
 H     -0.860418      1.043174     -1.526102    0.00  -0.000041113  -0.000014126  -0.000002076
 O     -0.857514     -2.090702      0.895616    0.00  -0.000462798   0.000158578  -0.000819508
 C     -2.000589     -1.438525     -1.600210    0.00   0.000264624   0.000058178   0.000565288
 H     -2.222883     -2.458487     -1.255884    0.00   0.000032815  -0.000012490   0.000060121
 H     -2.737110     -1.174224     -2.364337    0.00   0.000028748   0.000003254   0.000068493
 H     -1.010111     -1.481768     -2.084190    0.00   0.000016914   0.000039603   0.000050568
 H      0.868106     -2.648982      0.975625    0.00  -0.000008934  -0.000011144  -0.000030024
 O      0.089129     -0.139114      1.013262    0.00   0.000436978  -0.000549774   0.001267496
 O      1.397535     -1.845685     -1.255728    0.00  -0.000724872   0.000711588  -0.000254178
 C      2.173225     -2.435966     -0.535808    0.00  -0.000354875   0.000263573  -0.000249059
 H      3.213556     -2.704185     -0.728684    0.00  -0.000030922   0.000023737  -0.000020197
 O      1.827453     -2.885314      0.692187    0.00  -0.000132331  -0.000238917  -0.000487060
26
 Energy =      -0.307978720178
 C     -0.501478      2.262421      0.763286    0.00   0.000066808  -0.000049667   0.000004159
 C     -1.867839      2.071938      0.101519    0.00   0.000126441   0.000043006  -0.000672904
 C     -1.815681      0.982026     -0.971914    0.00  -0.000239597  -0.000105690  -0.000297991
 C     -2.006288     -0.438123     -0.429334    0.00   0.000107535  -0.000233160   0.000080468
 C     -0.943521     -0.929964      0.536265    0.00  -0.000067168  -0.000155603   0.000055632
 C     -0.151295      1.118304      1.701469    0.00   0.000747080   0.000071391   0.000743551
 H     -2.602137      1.175152     -1.730528    0.00  -0.000044493  -0.000004520  -0.000043528
 H     -2.641345      1.843805      0.859378    0.00   0.000058761   0.000019787  -0.000097499
 H     -2.185658      3.027656     -0.362613    0.00  -0.000040619   0.000000344  -0.000095960
 H      0.284954      2.359706     -0.015463    0.00  -0.000039700  -0.000021942   0.000047011
 H     -0.480737      3.215492      1.329383    0.00   0.000007162   0.000005656  -0.000026465
 H     -2.988294     -0.498759      0.110830    0.00   0.000027203  -0.000054992  -0.000006385
 H     -0.919570      0.949455      2.475737    0.00   0.000095942   0.000063988   0.000007953
 H      0.839974      1.264489      2.180961    0.00   0.000101945   0.000012979   0.000131778
 H     -0.853771      1.038977     -1.525679    0.00  -0.000042905  -0.000014401  -0.000001191
 O     -0.851400     -2.092578      0.888390    0.00  -0.000455974   0.000143314  -0.000814485
 C     -2.007311     -1.439224     -1.594782    0.00   0.000275270   0.000071427   0.000586211
 H     -2.230200     -2.457883     -1.246868    0.00   0.000033837  -0.000012228   0.000061807
 H     -2.746456     -1.175353     -2.356485    0.00   0.000030079   0.000003759   0.000071672
 H     -1.018966     -1.486088     -2.082684    0.00   0.000018595   0.000042336   0.000052557
 H      0.872533     -2.647234      0.973198    0.00  -0.000008392  -0.000012794  -0.000030264
 O      0.083672     -0.137926      1.026678    0.00   0.000433739  -0.000526543   0.001248349
 O      1.398944     -1.853425     -1.262256    0.00  -0.000665881   0.000645247  -0.000255907
 C      2.175862     -2.440141     -0.540700    0.00  -0.000349948   0.000262558  -0.000245746
 H      3.215997     -2.708901     -0.733927    0.00  -0.000032161   0.000027309  -0.000019387
 O      1.832183     -2.883391      0.689993    0.00  -0.000143559  -0.000221558  -0.000483437
26
 Energy =      -0.308152264426
 C     -0.501696      2.263579      0.763679    0.00   0.000055431  -0.000049768   0.000008135
 C     -1.864582      2.076586      0.093904    0.00   0.000110298   0.000042226  -0.000683446
 C     -1.810586      0.981684     -0.974256    0.00  -0.000254841  -0.000105789  -0.000302531
 C     -2.005813     -0.435873     -0.426353    0.00   0.000106848  -0.000228555   0.000083513
 C     -0.942403     -0.929437      0.537796    0.00  -0.000069364  -0.000150907   0.000053712
 C     -0.163303      1.121601      1.708637    0.00   0.000736174   0.000085077   0.000738434
 H     -2.594170      1.173025     -1.736370    0.00  -0.000046309  -0.000005053  -0.000044457
 H     -2.644093      1.855439      0.847691    0.00   0.000057389   0.000020027  -0.000100391
 H     -2.174936      3.031671     -0.376576    0.00  -0.000043821  -0.000000336  -0.000096501
 H      0.290351      2.354067     -0.010194    0.00  -0.000039728  -0.000022707   0.000048170
 H     -0.480234      3.218854      1.326032    0.00   0.000006018   0.000005435  -0.000025148
 H     -2.986521     -0.490620      0.116720    0.00   0.000027256  -0.000056008  -0.000007298
 H     -0.940376      0.955428      2.474642    0.00   0.000093657   0.000065255   0.000006183
 H      0.822710      1.267926      2.198854    0.00   0.000101829   0.000015675   0.000131307
 H     -0.846832      1.034468     -1.525178    0.00  -0.000044603  -0.000014612  -0.000000293
 O     -0.845192     -2.094367      0.881211    0.00  -0.000449564   0.000129456  -0.000809787
 C     -2.014451     -1.440020     -1.589190    0.00   0.000286304   0.000083858   0.000606900
 H     -2.237890     -2.457322     -1.237559    0.00   0.000034908  -0.000011995   0.000063460
 H     -2.756403     -1.176569     -2.348273    0.00   0.000031430   0.000004131   0.000074773
 H     -1.028405     -1.490593     -2.081260    0.00   0.000020305   0.000044975   0.000054601
 H      0.877117     -2.645291      0.970906    0.00  -0.000008006  -0.000014143  -0.000030474
 O      0.078125     -0.136792      1.039947    0.00   0.000430465  -0.000504164   0.001230843
 O      1.400446     -1.860482     -1.268417    0.00  -0.000610729   0.000581937  -0.000258671
 C      2.178442     -2.444286     -0.545622    0.00  -0.000344048   0.000260126  -0.000243148
 H      3.218189     -2.714093     -0.739519    0.00  -0.000032968   0.000030365  -0.000018582
 O      1.836905     -2.881628      0.687681    0.00  -0.000154332  -0.000204507  -0.000479301
26
 Energy =      -0.308324248083
 C     -0.501833      2.264608      0.764115    0.00   0.000044239  -0.000049638   0.000011483
 C     -1.861079      2.081160      0.086110    0.00   0.000094256   0.000041244  -0.000693760
 C     -1.805284      0.981205     -0.976667    0.00  -0.000269521  -0.000105726  -0.000306534
 C     -2.005381     -0.433653     -0.423340    0.00   0.000106510  -0.000224196   0.000086692
 C     -0.941278     -0.928954      0.539289    0.00  -0.000071230  -0.000146238   0.000052149
 C     -0.175404      1.124748      1.715694    0.00   0.000725864   0.000098381   0.000733041
 H     -2.585868      1.170780     -1.742372    0.00  -0.000048052  -0.000005552  -0.000045274
 H     -2.646687      1.867159      0.835642    0.00   0.000055984   0.000020195  -0.000103192
 H     -2.163731      3.035555     -0.390781    0.00  -0.000046941  -0.000001025  -0.000096988
 H      0.295878      2.348350     -0.004693    0.00  -0.000039790  -0.000023372   0.000049228
 H     -0.479682      3.222013      1.322815    0.00   0.000004903   0.000005232  -0.000023969
 H     -2.984697     -0.482258      0.122750    0.00   0.000027298  -0.000057005  -0.000008218
 H     -0.961262      0.961182      2.473229    0.00   0.000091510   0.000066401   0.000004501
 H      0.805172      1.271225      2.216693    0.00   0.000101678   0.000018236   0.000130744
 H     -0.839626      1.029656     -1.524600    0.00  -0.000046208  -0.000014756   0.000000606
 O     -0.838905     -2.096068      0.874083    0.00  -0.000443520   0.000116981  -0.000805472
 C     -2.021997     -1.440901     -1.583438    0.00   0.000297733   0.000095425   0.000627359
 H     -2.245945     -2.456795     -1.227968    0.00   0.000036021  -0.000011797   0.000065083
 H     -2.766931     -1.177854     -2.339706    0.00   0.000032800   0.000004379   0.000077792
 H     -1.038415     -1.495270     -2.079910    0.00   0.000022041   0.000047513   0.000056690
 H      0.881830     -2.643195      0.968728    0.00  -0.000007749  -0.000015212  -0.000030649
 O      0.072491     -0.135718      1.053060    0.00   0.000427245  -0.000482663   0.001215147
 O      1.402044     -1.866866     -1.274229    0.00  -0.000559648   0.000521689  -0.000262549
 C      2.180976     -2.448378     -0.550554    0.00  -0.000337436   0.000256453  -0.000241277
 H      3.220163     -2.719684     -0.745395    0.00  -0.000033422   0.000032932  -0.000017812
 O      1.841608     -2.880030      0.685260    0.00  -0.000164564  -0.000187879  -0.000474820
26
 Energy =      -0.308494996154
 C     -0.501889      2.265510      0.764588    0.00   0.000033200  -0.000049282   0.000014227
 C     -1.857334      2.085653      0.078155    0.00   0.000078363   0.000040064  -0.000703884
 C     -1.799793      0.980589     -0.979138    0.00  -0.000283585  -0.000105479  -0.000309996
 C     -2.004998     -0.431466     -0.420295    0.00   0.000106539  -0.000220109   0.000090022
 C     -0.940154     -0.928517      0.540744    0.00  -0.000072755  -0.000141606   0.000050960
 C     -0.187579      1.127748      1.722627    0.00   0.000716195   0.000111326   0.000727479
 H     -2.577258      1.168418     -1.748510    0.00  -0.000049709  -0.000006006  -0.000045975
 H     -2.649109      1.878945      0.823251    0.00   0.000054566   0.000020296  -0.000105899
 H     -2.152058      3.039298     -0.405193    0.00  -0.000049972  -0.000001722  -0.000097437
 H      0.301522      2.342556      0.001021    0.00  -0.000039900  -0.000023941   0.000050191
 H     -0.479077      3.224973      1.319724    0.00   0.000003807   0.000005045  -0.000022926
 H     -2.982824     -0.473686      0.128907    0.00   0.000027336  -0.000057981  -0.000009130
 H     -0.982188      0.966728      2.471502    0.00   0.000089509   0.000067441   0.000002914
 H      0.787390      1.274387      2.234440    0.00   0.000101502   0.000020658   0.000130110
 H     -0.832179      1.024550     -1.523951    0.00  -0.000047722  -0.000014828   0.000001494
 O     -0.832554     -2.097685      0.867008    0.00  -0.000437774   0.000105839  -0.000801588
 C     -2.029937     -1.441854     -1.577528    0.00   0.000309555   0.000106111   0.000647583
 H     -2.254354     -2.456294     -1.218108    0.00   0.000037175  -0.000011630   0.000066683
 H     -2.778014     -1.179188     -2.330792    0.00   0.000034193   0.000004509   0.000080728
 H     -1.048982     -1.500106     -2.078622    0.00   0.000023797   0.000049942   0.000058817
 H      0.886647     -2.640979      0.966642    0.00  -0.000007597  -0.000016035  -0.000030788
 O      0.066775     -0.134710      1.066010    0.00   0.000424149  -0.000462033   0.001201332
 O      1.403747     -1.872596     -1.279709    0.00  -0.000512709   0.000464458  -0.000267556
 C      2.183471     -2.452394     -0.555477    0.00  -0.000330360   0.000251692  -0.000240119
 H      3.221944     -2.725598     -0.751498    0.00  -0.000033601   0.000035041  -0.000017100
 O      1.846280     -2.878597      0.682739    0.00  -0.000174201  -0.000171770  -0.000470142
26
 Energy =      -0.308664818775
 C     -0.501861      2.266282      0.765087    0.00   0.000022271  -0.000048712   0.000016412
 C     -1.853350      2.090056      0.070053    0.00   0.000062649   0.000038697  -0.000713843
 C     -1.794130      0.979838     -0.981662    0.00  -0.000297007  -0.000105035  -0.000312920
 C     -2.004664     -0.429306     -0.417220    0.00   0.000106954  -0.000216300   0.000093514
 C     -0.939036     -0.928124      0.542163    0.00  -0.000073930  -0.000137021   0.000050139
 C     -0.199806      1.130604      1.729420    0.00   0.000707179   0.000123941   0.000721826
 H     -2.568371      1.165941     -1.754763    0.00  -0.000051272  -0.000006410  -0.000046563
 H     -2.651347      1.890781      0.810545    0.00   0.000053145   0.000020330  -0.000108508
 H     -2.139934      3.042892     -0.419781    0.00  -0.000052912  -0.000002427  -0.000097861
 H      0.307271      2.336685      0.006924    0.00  -0.000040064  -0.000024415   0.000051066
 H     -0.478409      3.227735      1.316747    0.00   0.000002721   0.000004874  -0.000022020
 H     -2.980904     -0.464916      0.135182    0.00   0.000027376  -0.000058933  -0.000010027
 H     -1.003115      0.972075      2.469466    0.00   0.000087660   0.000068390   0.000001424
 H      0.769391      1.277417      2.252058    0.00   0.000101309   0.000022941   0.000129424
 H     -0.824523      1.019164     -1.523237    0.00  -0.000049147  -0.000014826   0.000002364
 O     -0.826155     -2.099219      0.859987    0.00  -0.000432266   0.000095961  -0.000798157
 C     -2.038256     -1.442870     -1.571462    0.00   0.000321772   0.000115927   0.000667571
 H     -2.263104     -2.455807     -1.207994    0.00   0.000038366  -0.000011497   0.000068260
 H     -2.789626     -1.180550     -2.321540    0.00   0.000035607   0.000004531   0.000083579
 H     -1.060087     -1.505087     -2.077383    0.00   0.000025570   0.000052260   0.000060971
 H      0.891542     -2.638679      0.964628    0.00  -0.000007526  -0.000016638  -0.000030893
 O      0.060981     -0.133772      1.078793    0.00   0.000421232  -0.000442222   0.001189396
 O      1.405560     -1.877693     -1.284876    0.00  -0.000469863   0.000410139  -0.000273671
 C      2.185937     -2.456314     -0.560375    0.00  -0.000323024   0.000245986  -0.000239640
 H      3.223562     -2.731763     -0.757769    0.00  -0.000033574   0.000036729  -0.000016460
 O      1.850913     -2.877326      0.680126    0.00  -0.000183230  -0.000156271  -0.000465386
26
 Energy =      -0.308834005553
 C     -0.501746      2.266924      0.765605    0.00   0.000011418  -0.000047938   0.000018075
 C     -1.849133      2.094366      0.061823    0.00   0.000047127   0.000037147  -0.000723652
 C     -1.788315      0.978956     -0.984231    0.00  -0.000309759  -0.000104381  -0.000315315
 C     -2.004385     -0.427175     -0.414116    0.00   0.000107759  -0.000212760   0.000097169
 C     -0.937933     -0.927773      0.543549    0.00  -0.000074765  -0.000132480   0.000049686
 C     -0.212070      1.133318      1.736067    0.00   0.000698805   0.000136257   0.000716143
 H     -2.559241      1.163350     -1.761109    0.00  -0.000052732  -0.000006756  -0.000047039
 H     -2.653386      1.902650      0.797549    0.00   0.000051733   0.000020299  -0.000111021
 H     -2.127379      3.046328     -0.434510    0.00  -0.000055761  -0.000003137  -0.000098266
 H      0.313110      2.330731      0.012997    0.00  -0.000040287  -0.000024798   0.000051862
 H     -0.477670      3.230302      1.313872    0.00   0.000001638   0.000004716  -0.000021241
 H     -2.978941     -0.455963      0.141562    0.00   0.000027424  -0.000059863  -0.000010896
 H     -1.024009      0.977232      2.467126    0.00   0.000085959   0.000069261   0.000000029
 H      0.751203      1.280314      2.269515    0.00   0.000101105   0.000025089   0.000128700
 H     -0.816690      1.013510     -1.522462    0.00  -0.000050488  -0.000014751   0.000003207
 O     -0.819721     -2.100673      0.853021    0.00  -0.000426926   0.000087268  -0.000795191
 C     -2.046937     -1.443935     -1.565246    0.00   0.000334376   0.000124890   0.000687318
 H     -2.272182     -2.455324     -1.197641    0.00   0.000039597  -0.000011393   0.000069819
 H     -2.801734     -1.181923     -2.311961    0.00   0.000037046   0.000004457   0.000086343
 H     -1.071712     -1.510198     -2.076183    0.00   0.000027353   0.000054467   0.000063144
 H      0.896493     -2.636321      0.962668    0.00  -0.000007517  -0.000017058  -0.000030967
 O      0.055111     -0.132910      1.091407    0.00   0.000418529  -0.000423169   0.001179272
 O      1.407491     -1.882182     -1.289750    0.00  -0.000430960   0.000358597  -0.000280841
 C      2.188384     -2.460123     -0.565234    0.00  -0.000315626   0.000239449  -0.000239780
 H      3.225042     -2.738116     -0.764162    0.00  -0.000033399   0.000038036  -0.000015902
 O      1.855501     -2.876215      0.677429    0.00  -0.000191650  -0.000141448  -0.000460657
26
 Energy =       -0.30900282207
 C     -0.501545      2.267436      0.766135    0.00   0.000000606  -0.000046978   0.000019281
 C     -1.844690      2.098576      0.053478    0.00   0.000031798   0.000035427  -0.000733313
 C     -1.782368      0.977947     -0.986836    0.00  -0.000321839  -0.000103505  -0.000317186
 C     -2.004162     -0.425070     -0.410983    0.00   0.000108950  -0.000209484   0.000100981
 C     -0.936848     -0.927465      0.544902    0.00  -0.000075261  -0.000127974   0.000049568
 C     -0.224353      1.135896      1.742558    0.00   0.000691038   0.000148297   0.000710458
 H     -2.549900      1.160649     -1.767523    0.00  -0.000054088  -0.000007045  -0.000047408
 H     -2.655216      1.914537      0.784287    0.00   0.000050335   0.000020205  -0.000113436
 H     -2.114409      3.049601     -0.449352    0.00  -0.000058520  -0.000003853  -0.000098660
 H      0.319028      2.324694      0.019218    0.00  -0.000040572  -0.000025097   0.000052587
 H     -0.476851      3.232677      1.311086    0.00   0.000000551   0.000004571  -0.000020585
 H     -2.976937     -0.446838      0.148038    0.00   0.000027483  -0.000060761  -0.000011735
 H     -1.044841      0.982213      2.464490    0.00   0.000084399   0.000070068  -0.000001276
 H      0.732850      1.283087      2.286783    0.00   0.000100896   0.000027109   0.000127949
 H     -0.808710      1.007603     -1.521633    0.00  -0.000051750  -0.000014600   0.000004019
 O     -0.813267     -2.102047      0.846109    0.00  -0.000421701   0.000079673  -0.000792681
 C     -2.055965     -1.445035     -1.558882    0.00   0.000347366   0.000133038   0.000706824
 H     -2.281572     -2.454834     -1.187064    0.00   0.000040861  -0.000011314   0.000071361
 H     -2.814310     -1.183285     -2.302067    0.00   0.000038513   0.000004291   0.000089015
 H     -1.083836     -1.515421     -2.075009    0.00   0.000029144   0.000056560   0.000065331
 H      0.901481     -2.633928      0.960744    0.00  -0.000007550  -0.000017318  -0.000031014
 O      0.049167     -0.132126      1.103848    0.00   0.000416061  -0.000404801   0.001170857
 O      1.409550     -1.886091     -1.294351    0.00  -0.000395818   0.000309642  -0.000288992
 C      2.190823     -2.463809     -0.570044    0.00  -0.000308299   0.000232213  -0.000240493
 H      3.226410     -2.744603     -0.770629    0.00  -0.000033126   0.000038999  -0.000015426
 O      1.860036     -2.875258      0.674658    0.00  -0.000199475  -0.000127363  -0.000456026
26
 Energy =      -0.309171508003
 C     -0.501255      2.267816      0.766668    0.00  -0.000010195  -0.000045844   0.000020073
 C     -1.840026      2.102683      0.045035    0.00   0.000016657   0.000033545  -0.000742817
 C     -1.776309      0.976813     -0.989471    0.00  -0.000333246  -0.000102400  -0.000318552
 C     -2.004000     -0.422990     -0.407823    0.00   0.000110515  -0.000206453   0.000104947
 C     -0.935791     -0.927196      0.546226    0.00  -0.000075433  -0.000123492   0.000049771
 C     -0.236640      1.138341      1.748884    0.00   0.000683828   0.000160084   0.000704792
 H     -2.540382      1.157840     -1.773985    0.00  -0.000055334  -0.000007273  -0.000047674
 H     -2.656826      1.926432      0.770785    0.00   0.000048952   0.000020053  -0.000115757
 H     -2.101045      3.052705     -0.464277    0.00  -0.000061195  -0.000004573  -0.000099042
 H      0.325014      2.318568      0.025569    0.00  -0.000040918  -0.000025315   0.000053249
 H     -0.475945      3.234864      1.308379    0.00  -0.000000545   0.000004436  -0.000020041
 H     -2.974895     -0.437555      0.154599    0.00   0.000027556  -0.000061631  -0.000012537
 H     -1.065583      0.987029      2.461563    0.00   0.000082971   0.000070818  -0.000002500
 H      0.714356      1.285736      2.303837    0.00   0.000100684   0.000029010   0.000127177
 H     -0.800614      1.001457     -1.520759    0.00  -0.000052936  -0.000014377   0.000004799
 O     -0.806807     -2.103344      0.839251    0.00  -0.000416523   0.000073090  -0.000790607
 C     -2.065321     -1.446158     -1.552372    0.00   0.000360720   0.000140407   0.000726076
 H     -2.291264     -2.454326     -1.176275    0.00   0.000042158  -0.000011259   0.000072889
 H     -2.827320     -1.184618     -2.291869    0.00   0.000040007   0.000004045   0.000091596
 H     -1.096438     -1.520743     -2.073847    0.00   0.000030937   0.000058539   0.000067524
 H      0.906489     -2.631523      0.958842    0.00  -0.000007612  -0.000017448  -0.000031041
 O      0.043152     -0.131424      1.116117    0.00   0.000413840  -0.000387035   0.001164011
 O      1.411744     -1.889451     -1.298700    0.00  -0.000364194   0.000263096  -0.000298045
 C      2.193264     -2.467361     -0.574794    0.00  -0.000301174   0.000224370  -0.000241712
 H      3.227691     -2.751171     -0.777132    0.00  -0.000032793   0.000039659  -0.000015029
 O      1.864514     -2.874447      0.671821    0.00  -0.000206726  -0.000114052  -0.000451552
26
 Energy =      -0.309340276423
 C     -0.500879      2.268065      0.767199    0.00  -0.000021001  -0.000044551   0.000020509
 C     -1.835149      2.106684      0.036507    0.00   0.000001690   0.000031514  -0.000752144
 C     -1.770156      0.975559     -0.992128    0.00  -0.000343990  -0.000101062  -0.000319425
 C     -2.003900     -0.420932     -0.404638    0.00   0.000112449  -0.000203638   0.000109050
 C     -0.934767     -0.926967      0.547522    0.00  -0.000075301  -0.000119015   0.000050282
 C     -0.248920      1.140657      1.755042    0.00   0.000677118   0.000171636   0.000699144
 H     -2.530717      1.154927     -1.780476    0.00  -0.000056472  -0.000007440  -0.000047840
 H     -2.658208      1.938323      0.757065    0.00   0.000047587   0.000019844  -0.000117984
 H     -2.087303      3.055636     -0.479259    0.00  -0.000063791  -0.000005298  -0.000099413
 H      0.331057      2.312350      0.032031    0.00  -0.000041323  -0.000025458   0.000053857
 H     -0.474943      3.236866      1.305737    0.00  -0.000001653   0.000004310  -0.000019599
 H     -2.972819     -0.428125      0.161233    0.00   0.000027643  -0.000062467  -0.000013301
 H     -1.086212      0.991691      2.458355    0.00   0.000081663   0.000071516  -0.000003649
 H      0.695743      1.288268      2.320656    0.00   0.000100470   0.000030800   0.000126388
 H     -0.792432      0.995085     -1.519847    0.00  -0.000054050  -0.000014082   0.000005543
 O     -0.800350     -2.104566      0.832448    0.00  -0.000411331   0.000067428  -0.000788947
 C     -2.074990     -1.447292     -1.545723    0.00   0.000374418   0.000147035   0.000745063
 H     -2.301242     -2.453791     -1.165289    0.00   0.000043489  -0.000011224   0.000074404
 H     -2.840737     -1.185904     -2.281380    0.00   0.000041526   0.000003725   0.000094081
 H     -1.109496     -1.526150     -2.072685    0.00   0.000032727   0.000060406   0.000069720
 H      0.911505     -2.629119      0.956950    0.00  -0.000007692  -0.000017474  -0.000031055
 O      0.037068     -0.130806      1.128216    0.00   0.000411861  -0.000369802   0.001158578
 O      1.414080     -1.892290     -1.302816    0.00  -0.000335830   0.000218770  -0.000307918
 C      2.195716     -2.470772     -0.579477    0.00  -0.000294353   0.000216005  -0.000243361
 H      3.228905     -2.757780     -0.783639    0.00  -0.000032431   0.000040055  -0.000014705
 O      1.868931     -2.873774      0.668925    0.00  -0.000213422  -0.000101533  -0.000447279
26
 Energy =      -0.309509313823
 C     -0.500414      2.268185      0.767722    0.00  -0.000031829  -0.000043110   0.000020638
 C     -1.830066      2.110577      0.027907    0.00  -0.000013115   0.000029343  -0.000761268
 C     -1.763929      0.974191     -0.994802    0.00  -0.000354083  -0.000099489  -0.000319822
 C     -2.003866     -0.418895     -0.401427    0.00   0.000114721  -0.000201017   0.000113279
 C     -0.933781     -0.926773      0.548792    0.00  -0.000074864  -0.000114551   0.000051062
 C     -0.261181      1.142850      1.761027    0.00   0.000670843   0.000182961   0.000693502
 H     -2.520939      1.151914     -1.786975    0.00  -0.000057502  -0.000007548  -0.000047912
 H     -2.659356      1.950201      0.743149    0.00   0.000046238   0.000019582  -0.000120122
 H     -2.073201      3.058391     -0.494273    0.00  -0.000066314  -0.000006025  -0.000099769
 H      0.337146      2.306034      0.038588    0.00  -0.000041781  -0.000025531   0.000054416
 H     -0.473839      3.238688      1.303154    0.00  -0.000002776   0.000004190  -0.000019247
 H     -2.970709     -0.418561      0.167931    0.00   0.000027746  -0.000063269  -0.000014025
 H     -1.106705      0.996209      2.454874    0.00   0.000080461   0.000072169  -0.000004732
 H      0.677029      1.290687      2.337223    0.00   0.000100256   0.000032491   0.000125581
 H     -0.784191      0.988499     -1.518905    0.00  -0.000055097  -0.000013718   0.000006252
 O     -0.793909     -2.105712      0.825695    0.00  -0.000406081   0.000062610  -0.000787646
 C     -2.084955     -1.448426     -1.538938    0.00   0.000388421   0.000152948   0.000763771
 H     -2.311493     -2.453218     -1.154120    0.00   0.000044854  -0.000011205   0.000075904
 H     -2.854528     -1.187126     -2.270611    0.00   0.000043072   0.000003342   0.000096466
 H     -1.122990     -1.531627     -2.071511    0.00   0.000034507   0.000062162   0.000071914
 H      0.916514     -2.626729      0.955056    0.00  -0.000007779  -0.000017417  -0.000031061
 O      0.030914     -0.130273      1.140144    0.00   0.000410116  -0.000353006   0.001154402
 O      1.416565     -1.894640     -1.306718    0.00  -0.000310476   0.000176472  -0.000318520
 C      2.198189     -2.474039     -0.584088    0.00  -0.000287890   0.000207205  -0.000245391
 H      3.230073     -2.764394     -0.790119    0.00  -0.000032061   0.000040224  -0.000014447
 O      1.873286     -2.873233      0.665979    0.00  -0.000219586  -0.000089813  -0.000443223
26
 Energy =      -0.309678780617
 C     -0.499861      2.268175      0.768232    0.00  -0.000042686  -0.000041534   0.000020507
 C     -1.824784      2.114358      0.019250    0.00  -0.000027780   0.000027049  -0.000770154
 C     -1.757643      0.972712     -0.997487    0.00  -0.000363541  -0.000097680  -0.000319760
 C     -2.003898     -0.416873     -0.398193    0.00   0.000117315  -0.000198557   0.000117616
 C     -0.932839     -0.926615      0.550037    0.00  -0.000074142  -0.000110081   0.000052098
 C     -0.273413      1.144923      1.766837    0.00   0.000664936   0.000194061   0.000687846
 H     -2.511075      1.148803     -1.793466    0.00  -0.000058425  -0.000007598  -0.000047895
 H     -2.660264      1.962059      0.729057    0.00   0.000044902   0.000019270  -0.000122172
 H     -2.058757      3.060967     -0.509299    0.00  -0.000068768  -0.000006753  -0.000100106
 H      0.343272      2.299617      0.045226    0.00  -0.000042287  -0.000025538   0.000054932
 H     -0.472625      3.240331      1.300617    0.00  -0.000003915   0.000004077  -0.000018976
 H     -2.968572     -0.408873      0.174685    0.00   0.000027863  -0.000064033  -0.000014709
 H     -1.127046      1.000592      2.451129    0.00   0.000079352   0.000072778  -0.000005757
 H      0.658233      1.292997      2.353523    0.00   0.000100039   0.000034089   0.000124757
 H     -0.775918      0.981715     -1.517939    0.00  -0.000056078  -0.000013288   0.000006928
 O     -0.787494     -2.106785      0.818993    0.00  -0.000400717   0.000058551  -0.000786660
 C     -2.095199     -1.449549     -1.532019    0.00   0.000402691   0.000158182   0.000782172
 H     -2.322007     -2.452599     -1.142779    0.00   0.000046252  -0.000011201   0.000077389
 H     -2.868664     -1.188266     -2.259575    0.00   0.000044639   0.000002901   0.000098744
 H     -1.136898     -1.537164     -2.070314    0.00   0.000036271   0.000063805   0.000074102
 H      0.921509     -2.624361      0.953154    0.00  -0.000007867  -0.000017294  -0.000031067
 O      0.024693     -0.129825      1.151903    0.00   0.000408588  -0.000336587   0.001151314
 O      1.419204     -1.896530     -1.310420    0.00  -0.000287872   0.000136028  -0.000329767
 C      2.200691     -2.477160     -0.588619    0.00  -0.000281835   0.000198042  -0.000247741
 H      3.231212     -2.770987     -0.796549    0.00  -0.000031699   0.000040196  -0.000014243
 O      1.877579     -2.872813      0.662992    0.00  -0.000225236  -0.000078886  -0.000439397
26
 Energy =      -0.309848811854
 C     -0.499222      2.268034      0.768725    0.00  -0.000053574  -0.000039830   0.000020158
 C     -1.819311      2.118028      0.010544    0.00  -0.000042320   0.000024644  -0.000778766
 C     -1.751316      0.971128     -1.000179    0.00  -0.000372383  -0.000095634  -0.000319255
 C     -2.004000     -0.414867     -0.394935    0.00   0.000120203  -0.000196232   0.000122041
 C     -0.931946     -0.926488      0.551258    0.00  -0.000073145  -0.000105596   0.000053372
 C     -0.285606      1.146882      1.772470    0.00   0.000659326   0.000204936   0.000682146
 H     -2.501153      1.145598     -1.799934    0.00  -0.000059244  -0.000007593  -0.000047792
 H     -2.660928      1.973890      0.714810    0.00   0.000043576   0.000018910  -0.000124135
 H     -2.043987      3.063363     -0.524313    0.00  -0.000071157  -0.000007480  -0.000100417
 H      0.349428      2.293095      0.051930    0.00  -0.000042836  -0.000025483   0.000055411
 H     -0.471298      3.241801      1.298119    0.00  -0.000005071   0.000003969  -0.000018775
 H     -2.966407     -0.399070      0.181484    0.00   0.000027993  -0.000064756  -0.000015355
 H     -1.147218      1.004851      2.447129    0.00   0.000078323   0.000073342  -0.000006731
 H      0.639370      1.295205      2.369543    0.00   0.000099816   0.000035602   0.000123911
 H     -0.767637      0.974742     -1.516956    0.00  -0.000056995  -0.000012795   0.000007572
 O     -0.781113     -2.107785      0.812339    0.00  -0.000395191   0.000055178  -0.000785927
 C     -2.105707     -1.450650     -1.524970    0.00   0.000417178   0.000162759   0.000800235
 H     -2.332772     -2.451924     -1.131278    0.00   0.000047681  -0.000011209   0.000078859
 H     -2.883116     -1.189310     -2.248286    0.00   0.000046224   0.000002407   0.000100909
 H     -1.151200     -1.542747     -2.069078    0.00   0.000038011   0.000065335   0.000076283
 H      0.926482     -2.622021      0.951235    0.00  -0.000007948  -0.000017123  -0.000031077
 O      0.018406     -0.129466      1.163496    0.00   0.000407258  -0.000320480   0.001149151
 O      1.422005     -1.897990     -1.313942    0.00  -0.000267774   0.000097273  -0.000341576
 C      2.203230     -2.480134     -0.593072    0.00  -0.000276205   0.000188576  -0.000250356
 H      3.232339     -2.777535     -0.802910    0.00  -0.000031356   0.000040004  -0.000014086
 O      1.881807     -2.872505      0.659966    0.00  -0.000230392  -0.000068725  -0.000435800
26
 Energy =      -0.310019518003
 C     -0.498496      2.267766      0.769197    0.00  -0.000064494  -0.000038008   0.000019628
 C     -1.813653      2.121585      0.001802    0.00  -0.000056746   0.000022143  -0.000787061
 C     -1.744961      0.969441     -1.002872    0.00  -0.000380625  -0.000093349  -0.000318318
 C     -2.004174     -0.412875     -0.391656    0.00   0.000123355  -0.000194019   0.000126534
 C     -0.931106     -0.926393      0.552459    0.00  -0.000071884  -0.000101085   0.000054866
 C     -0.297756      1.148731      1.777925    0.00   0.000653946   0.000215573   0.000676370
 H     -2.491199      1.142305     -1.806367    0.00  -0.000059963  -0.000007536  -0.000047608
 H     -2.661344      1.985686      0.700425    0.00   0.000042255   0.000018507  -0.000126010
 H     -2.028905      3.065575     -0.539300    0.00  -0.000073487  -0.000008205  -0.000100695
 H      0.355603      2.286464      0.058688    0.00  -0.000043420  -0.000025370   0.000055856
 H     -0.469852      3.243100      1.295652    0.00  -0.000006243   0.000003865  -0.000018635
 H     -2.964219     -0.389164      0.188322    0.00   0.000028135  -0.000065434  -0.000015964
 H     -1.167210      1.008995      2.442884    0.00   0.000077362   0.000073858  -0.000007660
 H      0.620456      1.297314      2.385275    0.00   0.000099586   0.000037037   0.000123039
 H     -0.759370      0.967593     -1.515964    0.00  -0.000057850  -0.000012242   0.000008187
 O     -0.774775     -2.108714      0.805732    0.00  -0.000389457   0.000052418  -0.000785378
 C     -2.116463     -1.451721     -1.517795    0.00   0.000431816   0.000166701   0.000817920
 H     -2.343781     -2.451186     -1.119627    0.00   0.000049141  -0.000011226   0.000080312
 H     -2.897855     -1.190244     -2.236755    0.00   0.000047821   0.000001867   0.000102953
 H     -1.165877     -1.548370     -2.067795    0.00   0.000039719   0.000066748   0.000078450
 H      0.931427     -2.619711      0.949294    0.00  -0.000008020  -0.000016914  -0.000031095
 O      0.012051     -0.129193      1.174925    0.00   0.000406103  -0.000304632   0.001147756
 O      1.424971     -1.899045     -1.317296    0.00  -0.000249943   0.000060062  -0.000353863
 C      2.205812     -2.482962     -0.597440    0.00  -0.000271008   0.000178872  -0.000253188
 H      3.233467     -2.784020     -0.809187    0.00  -0.000031037   0.000039674  -0.000013966
 O      1.885973     -2.872301      0.656911    0.00  -0.000235061  -0.000059305  -0.000432427
26
 Energy =      -0.310190985735
 C     -0.497685      2.267369      0.769645    0.00  -0.000075438  -0.000036073   0.000018947
 C     -1.807818      2.125027     -0.006969    0.00  -0.000071077   0.000019562  -0.000794989
 C     -1.738594      0.967656     -1.005564    0.00  -0.000388285  -0.000090829  -0.000316965
 C     -2.004419     -0.410892     -0.388356    0.00   0.000126741  -0.000191888   0.000131073
 C     -0.930324     -0.926326      0.553639    0.00  -0.000070369  -0.000096545   0.000056569
 C     -0.309851      1.150473      1.783202    0.00   0.000648727   0.000225958   0.000670478
 H     -2.481235      1.138925     -1.812750    0.00  -0.000060584  -0.000007431  -0.000047347
 H     -2.661510      1.997443      0.685917    0.00   0.000040935   0.000018061  -0.000127800
 H     -2.013527      3.067604     -0.554242    0.00  -0.000075761  -0.000008925  -0.000100934
 H      0.361791      2.279722      0.065489    0.00  -0.000044033  -0.000025201   0.000056269
 H     -0.468284      3.244232      1.293209    0.00  -0.000007429   0.000003766  -0.000018547
 H     -2.962009     -0.379164      0.195188    0.00   0.000028284  -0.000066062  -0.000016539
 H     -1.187009      1.013033      2.438402    0.00   0.000076455   0.000074325  -0.000008552
 H      0.601504      1.299330      2.400710    0.00   0.000099342   0.000038396   0.000122134
 H     -0.751136      0.960276     -1.514968    0.00  -0.000058645  -0.000011631   0.000008776
 O     -0.768488     -2.109572      0.799168    0.00  -0.000383472   0.000050204  -0.000784938
 C     -2.127453     -1.452752     -1.510497    0.00   0.000446538   0.000170021   0.000835176
 H     -2.355024     -2.450375     -1.107835    0.00   0.000050630  -0.000011252   0.000081744
 H     -2.912853     -1.191055     -2.224996    0.00   0.000049425   0.000001283   0.000104866
 H     -1.180907     -1.554023     -2.066449    0.00   0.000041385   0.000068041   0.000080603
 H      0.936340     -2.617433      0.947327    0.00  -0.000008078  -0.000016678  -0.000031123
 O      0.005633     -0.129007      1.186192    0.00   0.000405097  -0.000288996   0.001146979
 O      1.428106     -1.899722     -1.320497    0.00  -0.000234161   0.000024265  -0.000366546
 C      2.208444     -2.485647     -0.601726    0.00  -0.000266231   0.000168983  -0.000256196
 H      3.234607     -2.790430     -0.815367    0.00  -0.000030744   0.000039228  -0.000013875
 O      1.890076     -2.872191      0.653831    0.00  -0.000239253  -0.000050583  -0.000429263
26
 Energy =      -0.310363278606
 C     -0.496791      2.266844      0.770069    0.00  -0.000086401  -0.000034034   0.000018144
 C     -1.801810      2.128356     -0.015758    0.00  -0.000085321   0.000016916  -0.000802503
 C     -1.732224      0.965776     -1.008249    0.00  -0.000395377  -0.000088073  -0.000315203
 C     -2.004738     -0.408919     -0.385036    0.00   0.000130331  -0.000189807   0.000135633
 C     -0.929603     -0.926285      0.554801    0.00  -0.000068609  -0.000091980   0.000058467
 C     -0.321889      1.152115      1.788302    0.00   0.000643607   0.000236068   0.000664430
 H     -2.471283      1.135464     -1.819073    0.00  -0.000061111  -0.000007280  -0.000047011
 H     -2.661425      2.009156      0.671303    0.00   0.000039609   0.000017576  -0.000129501
 H     -1.997866      3.069448     -0.569125    0.00  -0.000077979  -0.000009638  -0.000101124
 H      0.367984      2.272864      0.072324    0.00  -0.000044667  -0.000024981   0.000056655
 H     -0.466591      3.245200      1.290784    0.00  -0.000008630   0.000003671  -0.000018504
 H     -2.959780     -0.369077      0.202076    0.00   0.000028438  -0.000066637  -0.000017080
 H     -1.206604      1.016972      2.433694    0.00   0.000075591   0.000074738  -0.000009410
 H      0.582526      1.301258      2.415841    0.00   0.000099081   0.000039686   0.000121188
 H     -0.742954      0.952803     -1.513977    0.00  -0.000059377  -0.000010964   0.000009342
 O     -0.762256     -2.110359      0.792648    0.00  -0.000377200   0.000048474  -0.000784525
 C     -2.138665     -1.453737     -1.503079    0.00   0.000461266   0.000172728   0.000851947
 H     -2.366493     -2.449485     -1.095911    0.00   0.000052147  -0.000011285   0.000083150
 H     -2.928083     -1.191732     -2.213023    0.00   0.000051025   0.000000663   0.000106637
 H     -1.196272     -1.559701     -2.065031    0.00   0.000042998   0.000069210   0.000082736
 H      0.941218     -2.615187      0.945329    0.00  -0.000008119  -0.000016424  -0.000031164
 O     -0.000851     -0.128907      1.197300    0.00   0.000404215  -0.000273532   0.001146679
 O      1.431412     -1.900045     -1.323555    0.00  -0.000220215  -0.000010223  -0.000379551
 C      2.211129     -2.488189     -0.605927    0.00  -0.000261848   0.000158951  -0.000259338
 H      3.235771     -2.796755     -0.821440    0.00  -0.000030479   0.000038686  -0.000013807
 O      1.894119     -2.872167      0.650732    0.00  -0.000242978  -0.000042510  -0.000426288
26
 Energy =      -0.310536437684
 C     -0.495815      2.266194      0.770464    0.00  -0.000097371  -0.000031893   0.000017240
 C     -1.795637      2.131568     -0.024558    0.00  -0.000099483   0.000014220  -0.000809549
 C     -1.725866      0.963805     -1.010927    0.00  -0.000401913  -0.000085081  -0.000313042
 C     -2.005132     -0.406952     -0.381698    0.00   0.000134087  -0.000187757   0.000140192
 C     -0.928946     -0.926270      0.555945    0.00  -0.000066612  -0.000087381   0.000060554
 C     -0.333864      1.153658      1.793226    0.00   0.000638523   0.000245875   0.000658182
 H     -2.461363      1.131923     -1.825330    0.00  -0.000061546  -0.000007087  -0.000046603
 H     -2.661086      2.020819      0.656596    0.00   0.000038273   0.000017054  -0.000131112
 H     -1.981937      3.071104     -0.583936    0.00  -0.000080144  -0.000010342  -0.000101258
 H      0.374176      2.265891      0.079185    0.00  -0.000045314  -0.000024710   0.000057013
 H     -0.464770      3.246006      1.288373    0.00  -0.000009843   0.000003581  -0.000018500
 H     -2.957536     -0.358911      0.208978    0.00   0.000028595  -0.000067150  -0.000017592
 H     -1.225989      1.020821      2.428770    0.00   0.000074760   0.000075091  -0.000010240
 H      0.563536      1.303103      2.430664    0.00   0.000098797   0.000040907   0.000120196
 H     -0.734838      0.945181     -1.512992    0.00  -0.000060049  -0.000010246   0.000009887
 O     -0.756087     -2.111076      0.786168    0.00  -0.000370597   0.000047167  -0.000784053
 C     -2.150082     -1.454669     -1.495543    0.00   0.000475911   0.000174828   0.000868166
 H     -2.378183     -2.448510     -1.083863    0.00   0.000053687  -0.000011324   0.000084528
 H     -2.943518     -1.192262     -2.200849    0.00   0.000052616   0.000000011   0.000108254
 H     -1.211951     -1.565397     -2.063526    0.00   0.000044549   0.000070250   0.000084844
 H      0.946057     -2.612970      0.943297    0.00  -0.000008142  -0.000016153  -0.000031217
 O     -0.007398     -0.128893      1.208253    0.00   0.000403427  -0.000258215   0.001146726
 O      1.434894     -1.900036     -1.326485    0.00  -0.000207916  -0.000043493  -0.000392798
 C      2.213875     -2.490596     -0.610045    0.00  -0.000257824   0.000148826  -0.000262579
 H      3.236965     -2.802988     -0.827399    0.00  -0.000030238   0.000038064  -0.000013755
 O      1.898102     -2.872221      0.647617    0.00  -0.000246234  -0.000035041  -0.000423483
26
 Energy =      -0.310710482082
 C     -0.494757      2.265419      0.770828    0.00  -0.000108337  -0.000029656   0.000016249
 C     -1.789306      2.134665     -0.033362    0.00  -0.000113571   0.000011492  -0.000816074
 C     -1.719527      0.961745     -1.013594    0.00  -0.000407903  -0.000081859  -0.000310490
 C     -2.005599     -0.404991     -0.378343    0.00   0.000137975  -0.000185706   0.000144723
 C     -0.928357     -0.926277      0.557075    0.00  -0.000064383  -0.000082758   0.000062824
 C     -0.345771      1.155109      1.797977    0.00   0.000633416   0.000255345   0.000651694
 H     -2.451490      1.128307     -1.831510    0.00  -0.000061892  -0.000006855  -0.000046125
 H     -2.660494      2.032430      0.641808    0.00   0.000036922   0.000016497  -0.000132629
 H     -1.965752      3.072574     -0.598664    0.00  -0.000082255  -0.000011035  -0.000101326
 H      0.380363      2.258799      0.086063    0.00  -0.000045969  -0.000024389   0.000057345
 H     -0.462819      3.246654      1.285971    0.00  -0.000011066   0.000003496  -0.000018528
 H     -2.955275     -0.348674      0.215886    0.00   0.000028750  -0.000067599  -0.000018076
 H     -1.245154      1.024588      2.423640    0.00   0.000073951   0.000075377  -0.000011045
 H      0.544542      1.304869      2.445176    0.00   0.000098485   0.000042061   0.000119148
 H     -0.726805      0.937418     -1.512022    0.00  -0.000060658  -0.000009478   0.000010414
 O     -0.749987     -2.111724      0.779728    0.00  -0.000363633   0.000046230  -0.000783427
 C     -2.161691     -1.455542     -1.487894    0.00   0.000490381   0.000176325   0.000883759
 H     -2.390090     -2.447442     -1.071697    0.00   0.000055248  -0.000011368   0.000085870
 H     -2.959133     -1.192637     -2.188489    0.00   0.000054186  -0.000000670   0.000109704
 H     -1.227924     -1.571109     -2.061924    0.00   0.000046026   0.000071154   0.000086923
 H      0.950858     -2.610783      0.941230    0.00  -0.000008145  -0.000015874  -0.000031283
 O     -0.014009     -0.128962      1.219055    0.00   0.000402711  -0.000243018   0.001146995
 O      1.438551     -1.899716     -1.329294    0.00  -0.000197077  -0.000075616  -0.000406215
 C      2.216682     -2.492867     -0.614079    0.00  -0.000254121   0.000138644  -0.000265887
 H      3.238199     -2.809124     -0.833239    0.00  -0.000030018   0.000037376  -0.000013716
 O      1.902026     -2.872345      0.644490    0.00  -0.000249023  -0.000028115  -0.000420824
26
 Energy =      -0.310885409453
 C     -0.493621      2.264518      0.771162    0.00  -0.000119286  -0.000027328   0.000015186
 C     -1.782820      2.137644     -0.042164    0.00  -0.000127582   0.000008744  -0.000822020
 C     -1.713217      0.959602     -1.016249    0.00  -0.000413357  -0.000078407  -0.000307553
 C     -2.006143     -0.403034     -0.374973    0.00   0.000141959  -0.000183633   0.000149199
 C     -0.927839     -0.926306      0.558190    0.00  -0.000061932  -0.000078110   0.000065273
 C     -0.357605      1.156472      1.802556    0.00   0.000628229   0.000264444   0.000644921
 H     -2.441681      1.124617     -1.837608    0.00  -0.000062151  -0.000006588  -0.000045581
 H     -2.659648      2.043983      0.626951    0.00   0.000035550   0.000015906  -0.000134050
 H     -1.949323      3.073853     -0.613300    0.00  -0.000084313  -0.000011713  -0.000101320
 H      0.386538      2.251585      0.092950    0.00  -0.000046623  -0.000024021   0.000057650
 H     -0.460738      3.247147      1.283573    0.00  -0.000012299   0.000003416  -0.000018584
 H     -2.953003     -0.338374      0.222794    0.00   0.000028900  -0.000067974  -0.000018533
 H     -1.264093      1.028279      2.418312    0.00   0.000073155   0.000075589  -0.000011828
 H      0.525558      1.306563      2.459372    0.00   0.000098139   0.000043147   0.000118035
 H     -0.718864      0.929520     -1.511069    0.00  -0.000061203  -0.000008664   0.000010926
 O     -0.743957     -2.112302      0.773327    0.00  -0.000356272   0.000045606  -0.000782553
 C     -2.173481     -1.456352     -1.480133    0.00   0.000504580   0.000177222   0.000898644
 H     -2.402206     -2.446277     -1.059420    0.00   0.000056824  -0.000011416   0.000087170
 H     -2.974900     -1.192849     -2.175958    0.00   0.000055725  -0.000001374   0.000110974
 H     -1.244173     -1.576834     -2.060211    0.00   0.000047418   0.000071918   0.000088965
 H      0.955617     -2.608620      0.939124    0.00  -0.000008127  -0.000015584  -0.000031359
 O     -0.020684     -0.129114      1.229707    0.00   0.000402039  -0.000227928   0.001147373
 O      1.442384     -1.899104     -1.331995    0.00  -0.000187531  -0.000106649  -0.000419726
 C      2.219555     -2.495010     -0.618035    0.00  -0.000250686   0.000128443  -0.000269236
 H      3.239477     -2.815160     -0.838959    0.00  -0.000029815   0.000036633  -0.000013684
 O      1.905895     -2.872532      0.641353    0.00  -0.000251341  -0.000021680  -0.000418289
26
 Energy =      -0.311061196425
 C     -0.492406      2.263495      0.771463    0.00  -0.000130205  -0.000024913   0.000014058
 C     -1.776186      2.140506     -0.050959    0.00  -0.000141513   0.000005993  -0.000827333
 C     -1.706944      0.957375     -1.018891    0.00  -0.000418278  -0.000074729  -0.000304234
 C     -2.006761     -0.401080     -0.371586    0.00   0.000146002  -0.000181510   0.000153594
 C     -0.927395     -0.926354      0.559293    0.00  -0.000059263  -0.000073446   0.000067900
 C     -0.369363      1.157751      1.806966    0.00   0.000622913   0.000273129   0.000637819
 H     -2.431950      1.120858     -1.843620    0.00  -0.000062327  -0.000006288  -0.000044971
 H     -2.658548      2.055477      0.612036    0.00   0.000034152   0.000015284  -0.000135370
 H     -1.932660      3.074941     -0.627832    0.00  -0.000086315  -0.000012372  -0.000101230
 H      0.392697      2.244250      0.099842    0.00  -0.000047269  -0.000023605   0.000057929
 H     -0.458525      3.247488      1.281175    0.00  -0.000013539   0.000003341  -0.000018663
 H     -2.950721     -0.328016      0.229692    0.00   0.000029041  -0.000068271  -0.000018966
 H     -1.282801      1.031904      2.412798    0.00   0.000072365   0.000075720  -0.000012593
 H      0.506593      1.308189      2.473253    0.00   0.000097752   0.000044165   0.000116850
 H     -0.711029      0.921494     -1.510140    0.00  -0.000061682  -0.000007805   0.000011424
 O     -0.738006     -2.112810      0.766966    0.00  -0.000348486   0.000045249  -0.000781329
 C     -2.185438     -1.457093     -1.472263    0.00   0.000518406   0.000177518   0.000912735
 H     -2.414529     -2.445009     -1.047037    0.00   0.000058412  -0.000011469   0.000088420
 H     -2.990795     -1.192890     -2.163269    0.00   0.000057221  -0.000002096   0.000112053
 H     -1.260676     -1.582570     -2.058375    0.00   0.000048714   0.000072536   0.000090965
 H      0.960335     -2.606478      0.936979    0.00  -0.000008089  -0.000015287  -0.000031446
 O     -0.027423     -0.129348      1.240216    0.00   0.000401384  -0.000212936   0.001147755
 O      1.446394     -1.898217     -1.334593    0.00  -0.000179121  -0.000136631  -0.000433259
 C      2.222494     -2.497026     -0.621910    0.00  -0.000247468   0.000118254  -0.000272598
 H      3.240803     -2.821095     -0.844554    0.00  -0.000029623   0.000035844  -0.000013660
 O      1.909707     -2.872774      0.638210    0.00  -0.000253183  -0.000015674  -0.000415851
26
 Energy =      -0.311237799097
 C     -0.491115      2.262349      0.771731    0.00  -0.000141076  -0.000022416   0.000012867
 C     -1.769410      2.143250     -0.059741    0.00  -0.000155358   0.000003253  -0.000831953
 C     -1.700715      0.955066     -1.021517    0.00  -0.000422670  -0.000070831  -0.000300541
 C     -2.007455     -0.399128     -0.368187    0.00   0.000150062  -0.000179318   0.000157883
 C     -0.927026     -0.926420      0.560386    0.00  -0.000056378  -0.000068770   0.000070702
 C     -0.381042      1.158948      1.811210    0.00   0.000617413   0.000281358   0.000630350
 H     -2.422309      1.117031     -1.849540    0.00  -0.000062418  -0.000005959  -0.000044297
 H     -2.657196      2.066905      0.597071    0.00   0.000032724   0.000014631  -0.000136583
 H     -1.915775      3.075838     -0.642258    0.00  -0.000088260  -0.000013011  -0.000101046
 H      0.398836      2.236791      0.106733    0.00  -0.000047903  -0.000023142   0.000058180
 H     -0.456180      3.247677      1.278773    0.00  -0.000014783   0.000003273  -0.000018763
 H     -2.948430     -0.317608      0.236576    0.00   0.000029168  -0.000068482  -0.000019377
 H     -1.301273      1.035467      2.407108    0.00   0.000071572   0.000075761  -0.000013340
 H      0.487655      1.309750      2.486818    0.00   0.000097318   0.000045113   0.000115583
 H     -0.703308      0.913345     -1.509237    0.00  -0.000062093  -0.000006905   0.000011911
 O     -0.732135     -2.113251      0.760641    0.00  -0.000340247   0.000045110  -0.000779652
 C     -2.197548     -1.457762     -1.464288    0.00   0.000531754   0.000177223   0.000925939
 H     -2.427057     -2.443633     -1.034552    0.00   0.000060006  -0.000011526   0.000089612
 H     -3.006791     -1.192752     -2.150439    0.00   0.000058665  -0.000002831   0.000112927
 H     -1.277414     -1.588319     -2.056405    0.00   0.000049904   0.000073001   0.000092915
 H      0.965010     -2.604358      0.934791    0.00  -0.000008031  -0.000014980  -0.000031539
 O     -0.034226     -0.129662      1.250584    0.00   0.000400725  -0.000198040   0.001148041
 O      1.450581     -1.897072     -1.337101    0.00  -0.000171700  -0.000165589  -0.000446742
 C      2.225504     -2.498920     -0.625709    0.00  -0.000244415   0.000108103  -0.000275950
 H      3.242181     -2.826927     -0.850024    0.00  -0.000029437   0.000035017  -0.000013639
 O      1.913466     -2.873066      0.635061    0.00  -0.000254544  -0.000010043  -0.000413488
26
 Energy =      -0.311415153542
 C     -0.489748      2.261083      0.771966    0.00  -0.000151886  -0.000019842   0.000011618
 C     -1.762494      2.145875     -0.068506    0.00  -0.000169104   0.000000538  -0.000835825
 C     -1.694536      0.952680     -1.024128    0.00  -0.000426532  -0.000066717  -0.000296474
 C     -2.008224     -0.397176     -0.364775    0.00   0.000154107  -0.000177029   0.000162037
 C     -0.926737     -0.926502      0.561471    0.00  -0.000053286  -0.000064092   0.000073679
 C     -0.392638      1.160071      1.815291    0.00   0.000611685   0.000289081   0.000622472
 H     -2.412768      1.113140     -1.855365    0.00  -0.000062427  -0.000005604  -0.000043562
 H     -2.655589      2.078267      0.582067    0.00   0.000031261   0.000013950  -0.000137684
 H     -1.898679      3.076541     -0.656566    0.00  -0.000090142  -0.000013626  -0.000100762
 H      0.404952      2.229206      0.113616    0.00  -0.000048517  -0.000022632   0.000058403
 H     -0.453701      3.247720      1.276364    0.00  -0.000016032   0.000003211  -0.000018882
 H     -2.946134     -0.307155      0.243437    0.00   0.000029280  -0.000068602  -0.000019767
 H     -1.319505      1.038979      2.401252    0.00   0.000070770   0.000075704  -0.000014072
 H      0.468756      1.311255      2.500065    0.00   0.000096831   0.000045989   0.000114228
 H     -0.695708      0.905076     -1.508365    0.00  -0.000062435  -0.000005967   0.000012388
 O     -0.726351     -2.113624      0.754355    0.00  -0.000331532   0.000045146  -0.000777416
 C     -2.209799     -1.458358     -1.456209    0.00   0.000544523   0.000176340   0.000938163
 H     -2.439784     -2.442143     -1.021971    0.00   0.000061599  -0.000011586   0.000090737
 H     -3.022866     -1.192433     -2.137484    0.00   0.000060043  -0.000003575   0.000113586
 H     -1.294367     -1.594080     -2.054286    0.00   0.000050978   0.000073310   0.000094806
 H      0.969641     -2.602251      0.932561    0.00  -0.000007951  -0.000014664  -0.000031636
 O     -0.041092     -0.130055      1.260816    0.00   0.000400036  -0.000183239   0.001148138
 O      1.454943     -1.895682     -1.339523    0.00  -0.000165136  -0.000193542  -0.000460108
 C      2.228583     -2.500695     -0.629435    0.00  -0.000241467   0.000098023  -0.000279268
 H      3.243615     -2.832656     -0.855371    0.00  -0.000029249   0.000034155  -0.000013623
 O      1.917171     -2.873400      0.631908    0.00  -0.000255417  -0.000004731  -0.000411173
26
 Energy =      -0.311593176374
 C     -0.488307      2.259696      0.772164    0.00  -0.000162615  -0.000017200   0.000010310
 C     -1.755443      2.148379     -0.077251    0.00  -0.000182737  -0.000002139  -0.000838890
 C     -1.688413      0.950216     -1.026723    0.00  -0.000429864  -0.000062397  -0.000292041
 C     -2.009068     -0.395225     -0.361353    0.00   0.000158096  -0.000174628   0.000166035
 C     -0.926529     -0.926599      0.562550    0.00  -0.000049988  -0.000059422   0.000076827
 C     -0.404149      1.161122      1.819214    0.00   0.000605687   0.000296252   0.000614142
 H     -2.403337      1.109185     -1.861093    0.00  -0.000062355  -0.000005224  -0.000042767
 H     -2.653730      2.089559      0.567028    0.00   0.000029761   0.000013240  -0.000138666
 H     -1.881379      3.077048     -0.670755    0.00  -0.000091959  -0.000014214  -0.000100366
 H      0.411040      2.221496      0.120489    0.00  -0.000049105  -0.000022074   0.000058594
 H     -0.451088      3.247618      1.273945    0.00  -0.000017281   0.000003156  -0.000019018
 H     -2.943835     -0.296665      0.250269    0.00   0.000029372  -0.000068620  -0.000020138
 H     -1.337492      1.042445      2.395241    0.00   0.000069948   0.000075543  -0.000014789
 H      0.449904      1.312706      2.512995    0.00   0.000096284   0.000046788   0.000112774
 H     -0.688238      0.896693     -1.507527    0.00  -0.000062704  -0.000004994   0.000012856
 O     -0.720653     -2.113928      0.748108    0.00  -0.000322321   0.000045318  -0.000774521
 C     -2.222180     -1.458878     -1.448029    0.00   0.000556607   0.000174881   0.000949308
 H     -2.452709     -2.440538     -1.009296    0.00   0.000063185  -0.000011650   0.000091785
 H     -3.038995     -1.191926     -2.124419    0.00   0.000061344  -0.000004321   0.000114017
 H     -1.311515     -1.599853     -2.052009    0.00   0.000051929   0.000073459   0.000096628
 H      0.974230     -2.600158      0.930285    0.00  -0.000007849  -0.000014335  -0.000031735
 O     -0.048023     -0.130524      1.270918    0.00   0.000399293  -0.000168538   0.001147969
 O      1.459480     -1.894060     -1.341866    0.00  -0.000159304  -0.000220493  -0.000473286
 C      2.231733     -2.502356     -0.633089    0.00  -0.000238569   0.000088022  -0.000282536
 H      3.245107     -2.838283     -0.860595    0.00  -0.000029055   0.000033261  -0.000013610
 O      1.920825     -2.873773      0.628750    0.00  -0.000255799   0.000000327  -0.000408882
26
 Energy =      -0.311771765449
 C     -0.486792      2.258190      0.772327    0.00  -0.000173256  -0.000014491   0.000008934
 C     -1.748262      2.150763     -0.085972    0.00  -0.000196235  -0.000004765  -0.000841093
 C     -1.682349      0.947675     -1.029300    0.00  -0.000432662  -0.000057876  -0.000287247
 C     -2.009985     -0.393275     -0.357921    0.00   0.000161992  -0.000172080   0.000169839
 C     -0.926405     -0.926711      0.563626    0.00  -0.000046499  -0.000054762   0.000080161
 C     -0.415570      1.162105      1.822980    0.00   0.000599366   0.000302822   0.000605344
 H     -2.394024      1.105170     -1.866720    0.00  -0.000062200  -0.000004823  -0.000041912
 H     -2.651618      2.100778      0.551965    0.00   0.000028218   0.000012505  -0.000139522
 H     -1.863884      3.077359     -0.684818    0.00  -0.000093705  -0.000014770  -0.000099853
 H      0.417099      2.213656      0.127343    0.00  -0.000049661  -0.000021472   0.000058752
 H     -0.448340      3.247372      1.271510    0.00  -0.000018531   0.000003107  -0.000019164
 H     -2.941537     -0.286142      0.257064    0.00   0.000029439  -0.000068538  -0.000020490
 H     -1.355232      1.045873      2.389085    0.00   0.000069113   0.000075264  -0.000015492
 H      0.431109      1.314109      2.525611    0.00   0.000095670   0.000047506   0.000111218
 H     -0.680904      0.888198     -1.506725    0.00  -0.000062899  -0.000003986   0.000013317
 O     -0.715049     -2.114164      0.741901    0.00  -0.000312591   0.000045585  -0.000770851
 C     -2.234677     -1.459320     -1.439752    0.00   0.000567910   0.000172862   0.000959279
 H     -2.465830     -2.438810     -0.996532    0.00   0.000064755  -0.000011717   0.000092745
 H     -3.055154     -1.191228     -2.111261    0.00   0.000062557  -0.000005065   0.000114215
 H     -1.328837     -1.605643     -2.049562    0.00   0.000052748   0.000073443   0.000098374
 H      0.978774     -2.598076      0.927962    0.00  -0.000007735  -0.000013992  -0.000031831
 O     -0.055019     -0.131069      1.280893    0.00   0.000398486  -0.000153952   0.001147420
 O      1.464190     -1.892220     -1.344138    0.00  -0.000154087  -0.000246450  -0.000486213
 C      2.234956     -2.503903     -0.636676    0.00  -0.000235675   0.000078139  -0.000285730
 H      3.246658     -2.843807     -0.865699    0.00  -0.000028851   0.000032345  -0.000013599
 O      1.924427     -2.874179      0.625589    0.00  -0.000255665   0.000005160  -0.000406598
26
 Energy =      -0.311950800647
 C     -0.485205      2.256565      0.772452    0.00  -0.000183777  -0.000011728   0.000007488
 C     -1.740953      2.153025     -0.094667    0.00  -0.000209582  -0.000007324  -0.000842382
 C     -1.676350      0.945060     -1.031860    0.00  -0.000434923  -0.000053169  -0.000282089
 C     -2.010976     -0.391325     -0.354482    0.00   0.000165766  -0.000169372   0.000173429
 C     -0.926366     -0.926833      0.564701    0.00  -0.000042812  -0.000050122   0.000083662
 C     -0.426900      1.163026      1.826595    0.00   0.000592692   0.000308742   0.000596029
 H     -2.384837      1.101095     -1.872247    0.00  -0.000061966  -0.000004405  -0.000041004
 H     -2.649255      2.111920      0.536882    0.00   0.000026632   0.000011743  -0.000140247
 H     -1.846204      3.077471     -0.698752    0.00  -0.000095374  -0.000015291  -0.000099213
 H      0.423127      2.205686      0.134178    0.00  -0.000050183  -0.000020821   0.000058874
 H     -0.445455      3.246986      1.269057    0.00  -0.000019777   0.000003065  -0.000019327
 H     -2.939240     -0.275593      0.263814    0.00   0.000029480  -0.000068343  -0.000020822
 H     -1.372722      1.049273      2.382796    0.00   0.000068248   0.000074865  -0.000016181
 H      0.412379      1.315469      2.537911    0.00   0.000094984   0.000048142   0.000109550
 H     -0.673711      0.879593     -1.505965    0.00  -0.000063017  -0.000002951   0.000013770
 O     -0.709540     -2.114332      0.735735    0.00  -0.000302340   0.000045912  -0.000766304
 C     -2.247280     -1.459682     -1.431381    0.00   0.000578338   0.000170299   0.000967980
 H     -2.479143     -2.436959     -0.983680    0.00   0.000066300  -0.000011789   0.000093607
 H     -3.071322     -1.190339     -2.098027    0.00   0.000063668  -0.000005801   0.000114170
 H     -1.346316     -1.611452     -2.046933    0.00   0.000053430   0.000073264   0.000100034
 H      0.983275     -2.596002      0.925589    0.00  -0.000007594  -0.000013633  -0.000031923
 O     -0.062082     -0.131689      1.290747    0.00   0.000397575  -0.000139491   0.001146436
 O      1.469070     -1.890168     -1.346345    0.00  -0.000149387  -0.000271401  -0.000498825
 C      2.238248     -2.505340     -0.640198    0.00  -0.000232721   0.000068379  -0.000288836
 H      3.248269     -2.849227     -0.870684    0.00  -0.000028626   0.000031402  -0.000013592
 O      1.927978     -2.874612      0.622422    0.00  -0.000255033   0.000009830  -0.000404284
26
 Energy =      -0.312130144806
 C     -0.483544      2.254822      0.772540    0.00  -0.000194170  -0.000008920   0.000005965
 C     -1.733521      2.155164     -0.103332    0.00  -0.000222741  -0.000009810  -0.000842704
 C     -1.670419      0.942368     -1.034403    0.00  -0.000436641  -0.000048281  -0.000276581
 C     -2.012041     -0.389376     -0.351036    0.00   0.000169378  -0.000166483   0.000176784
 C     -0.926415     -0.926968      0.565777    0.00  -0.000038944  -0.000045515   0.000087338
 C     -0.438135      1.163888      1.830062    0.00   0.000585622   0.000313964   0.000586177
 H     -2.375783      1.096964     -1.877672    0.00  -0.000061653  -0.000003971  -0.000040041
 H     -2.646640      2.122984      0.521787    0.00   0.000025000   0.000010959  -0.000140830
 H     -1.828345      3.077381     -0.712554    0.00  -0.000096962  -0.000015777  -0.000098442
 H      0.429122      2.197584      0.140988    0.00  -0.000050661  -0.000020122   0.000058958
 H     -0.442432      3.246461      1.266582    0.00  -0.000021022   0.000003030  -0.000019500
 H     -2.936948     -0.265023      0.270515    0.00   0.000029489  -0.000068035  -0.000021138
 H     -1.389958      1.052650      2.376383    0.00   0.000067355   0.000074336  -0.000016856
 H      0.393724      1.316792      2.549900    0.00   0.000094218   0.000048687   0.000107766
 H     -0.666661      0.870881     -1.505246    0.00  -0.000063055  -0.000001890   0.000014217
 O     -0.704131     -2.114434      0.729613    0.00  -0.000291549   0.000046271  -0.000760775
 C     -2.259977     -1.459966     -1.422917    0.00   0.000587798   0.000167222   0.000975324
 H     -2.492649     -2.434980     -0.970744    0.00   0.000067814  -0.000011865   0.000094357
 H     -3.087476     -1.189255     -2.084732    0.00   0.000064666  -0.000006522   0.000113877
 H     -1.363930     -1.617282     -2.044113    0.00   0.000053972   0.000072916   0.000101596
 H      0.987729     -2.593933      0.923166    0.00  -0.000007439  -0.000013256  -0.000032005
 O     -0.069211     -0.132379      1.300484    0.00   0.000396556  -0.000125167   0.001144921
 O      1.474121     -1.887917     -1.348492    0.00  -0.000145108  -0.000295347  -0.000511053
 C      2.241612     -2.506671     -0.643660    0.00  -0.000229667   0.000058759  -0.000291833
 H      3.249942     -2.854542     -0.875554    0.00  -0.000028382   0.000030437  -0.000013587
 O      1.931479     -2.875069      0.619250    0.00  -0.000253875   0.000014382  -0.000401935
26
 Energy =      -0.312309644787
 C     -0.481811      2.252961      0.772588    0.00  -0.000204410  -0.000006077   0.000004366
 C     -1.725966      2.157179     -0.111966    0.00  -0.000235690  -0.000012210  -0.000842012
 C     -1.664558      0.939604     -1.036929    0.00  -0.000437808  -0.000043232  -0.000270731
 C     -2.013177     -0.387427     -0.347585    0.00   0.000172797  -0.000163411   0.000179892
 C     -0.926555     -0.927113      0.566858    0.00  -0.000034890  -0.000040952   0.000091171
 C     -0.449273      1.164695      1.833385    0.00   0.000578142   0.000318442   0.000575733
 H     -2.366865      1.092776     -1.882995    0.00  -0.000061258  -0.000003522  -0.000039025
 H     -2.643774      2.133966      0.506684    0.00   0.000023317   0.000010150  -0.000141266
 H     -1.810316      3.077088     -0.726222    0.00  -0.000098457  -0.000016221  -0.000097528
 H      0.435082      2.189347      0.147768    0.00  -0.000051092  -0.000019377   0.000059000
 H     -0.439270      3.245800      1.264080    0.00  -0.000022258   0.000003003  -0.000019688
 H     -2.934666     -0.254436      0.277159    0.00   0.000029468  -0.000067601  -0.000021437
 H     -1.406937      1.056015      2.369857    0.00   0.000066419   0.000073681  -0.000017515
 H      0.375153      1.318080      2.561576    0.00   0.000093367   0.000049139   0.000105857
 H     -0.659761      0.862062     -1.504573    0.00  -0.000063012  -0.000000809   0.000014658
 O     -0.698823     -2.114467      0.723537    0.00  -0.000280233   0.000046640  -0.000754179
 C     -2.272757     -1.460170     -1.414367    0.00   0.000596201   0.000163658   0.000981220
 H     -2.506344     -2.432871     -0.957727    0.00   0.000069285  -0.000011944   0.000094989
 H     -3.103597     -1.187976     -2.071396    0.00   0.000065546  -0.000007226   0.000113333
 H     -1.381662     -1.623136     -2.041091    0.00   0.000054370   0.000072404   0.000103050
 H      0.992137     -2.591868      0.920689    0.00  -0.000007265  -0.000012855  -0.000032075
 O     -0.076410     -0.133141      1.310111    0.00   0.000395391  -0.000110998   0.001142840
 O      1.479339     -1.885474     -1.350585    0.00  -0.000141161  -0.000318265  -0.000522850
 C      2.245048     -2.507895     -0.647063    0.00  -0.000226464   0.000049281  -0.000294703
 H      3.251678     -2.859754     -0.880311    0.00  -0.000028103   0.000029440  -0.000013590
 O      1.934930     -2.875546      0.616072    0.00  -0.000252203   0.000018864  -0.000399512
26
 Energy =      -0.312489132704
 C     -0.480003      2.250982      0.772596    0.00  -0.000214487  -0.000003202   0.000002667
 C     -1.718293      2.159066     -0.120567    0.00  -0.000248391  -0.000014509  -0.000840265
 C     -1.658770      0.936766     -1.039437    0.00  -0.000438418  -0.000038038  -0.000264529
 C     -2.014385     -0.385478     -0.344131    0.00   0.000176007  -0.000160104   0.000182698
 C     -0.926788     -0.927267      0.567946    0.00  -0.000030669  -0.000036455   0.000095176
 C     -0.460311      1.165452      1.836569    0.00   0.000570189   0.000322134   0.000564723
 H     -2.358091      1.088534     -1.888216    0.00  -0.000060786  -0.000003065  -0.000037963
 H     -2.640656      2.144862      0.491581    0.00   0.000021590   0.000009322  -0.000141544
 H     -1.792121      3.076588     -0.739754    0.00  -0.000099854  -0.000016622  -0.000096474
 H      0.441006      2.180974      0.154516    0.00  -0.000051474  -0.000018586   0.000058996
 H     -0.435966      3.245003      1.261548    0.00  -0.000023490   0.000002980  -0.000019884
 H     -2.932395     -0.243840      0.283739    0.00   0.000029409  -0.000067047  -0.000021713
 H     -1.423658      1.059374      2.363230    0.00   0.000065455   0.000072879  -0.000018160
 H      0.356676      1.319339      2.572944    0.00   0.000092424   0.000049491   0.000103825
 H     -0.653013      0.853138     -1.503946    0.00  -0.000062884   0.000000293   0.000015093
 O     -0.693624     -2.114434      0.717510    0.00  -0.000268394   0.000046996  -0.000746398
 C     -2.285610     -1.460295     -1.405730    0.00   0.000603492   0.000159642   0.000985589
 H     -2.520226     -2.430627     -0.944629    0.00   0.000070704  -0.000012031   0.000095488
 H     -3.119662     -1.186503     -2.058033    0.00   0.000066288  -0.000007901   0.000112537
 H     -1.399492     -1.629019     -2.037860    0.00   0.000054623   0.000071728   0.000104388
 H      0.996498     -2.589805      0.918155    0.00  -0.000007078  -0.000012430  -0.000032127
 O     -0.083678     -0.133972      1.319632    0.00   0.000394081  -0.000097002   0.001140060
 O      1.484722     -1.882845     -1.352628    0.00  -0.000137477  -0.000340160  -0.000534149
 C      2.248554     -2.509013     -0.650413    0.00  -0.000223064   0.000039966  -0.000297442
 H      3.253477     -2.864858     -0.884959    0.00  -0.000027796   0.000028422  -0.000013595
 O      1.938330     -2.876039      0.612884    0.00  -0.000250000   0.000023301  -0.000396998
26
 Energy =      -0.312668427255
 C     -0.478122      2.248887      0.772563    0.00  -0.000224374  -0.000000316   0.000000868
 C     -1.710504      2.160827     -0.129133    0.00  -0.000260810  -0.000016704  -0.000837418
 C     -1.653058      0.933853     -1.041929    0.00  -0.000438460  -0.000032708  -0.000258005
 C     -2.015666     -0.383531     -0.340675    0.00   0.000178962  -0.000156577   0.000185216
 C     -0.927117     -0.927428      0.569045    0.00  -0.000026291  -0.000031991   0.000099338
 C     -0.471245      1.166163      1.839616    0.00   0.000561761   0.000324998   0.000553098
 H     -2.349461      1.084240     -1.893335    0.00  -0.000060233  -0.000002600  -0.000036853
 H     -2.637287      2.155670      0.476481    0.00   0.000019814   0.000008472  -0.000141660
 H     -1.773770      3.075882     -0.753146    0.00  -0.000101147  -0.000016975  -0.000095269
 H      0.446895      2.172460      0.161225    0.00  -0.000051799  -0.000017749   0.000058944
 H     -0.432517      3.244071      1.258981    0.00  -0.000024712   0.000002965  -0.000020092
 H     -2.930140     -0.233237      0.290247    0.00   0.000029314  -0.000066368  -0.000021973
 H     -1.440117      1.062736      2.356510    0.00   0.000064446   0.000071939  -0.000018787
 H      0.338302      1.320575      2.584005    0.00   0.000091386   0.000049740   0.000101664
 H     -0.646419      0.844110     -1.503369    0.00  -0.000062671   0.000001406   0.000015521
 O     -0.688536     -2.114335      0.711536    0.00  -0.000256026   0.000047314  -0.000737367
 C     -2.298524     -1.460342     -1.397014    0.00   0.000609584   0.000155210   0.000988360
 H     -2.534294     -2.428247     -0.931457    0.00   0.000072064  -0.000012115   0.000095844
 H     -3.135656     -1.184836     -2.044661    0.00   0.000066892  -0.000008548   0.000111490
 H     -1.417402     -1.634933     -2.034411    0.00   0.000054732   0.000070892   0.000105600
 H      1.000810     -2.587746      0.915563    0.00  -0.000006871  -0.000011974  -0.000032160
 O     -0.091018     -0.134870      1.329054    0.00   0.000392582  -0.000083216   0.001136544
 O      1.490270     -1.880035     -1.354626    0.00  -0.000133976  -0.000361009  -0.000544906
 C      2.252130     -2.510027     -0.653711    0.00  -0.000219436   0.000030805  -0.000300016
 H      3.255340     -2.869855     -0.889500    0.00  -0.000027450   0.000027377  -0.000013608
 O      1.941680     -2.876547      0.609685    0.00  -0.000247278   0.000027732  -0.000394373
26
 Energy =      -0.312847335193
 C     -0.476166      2.246674      0.772486    0.00  -0.000234053   0.000002569  -0.000001043
 C     -1.702600      2.162458     -0.137662    0.00  -0.000272900  -0.000018781  -0.000833439
 C     -1.647424      0.930867     -1.044406    0.00  -0.000437936  -0.000027268  -0.000251159
 C     -2.017017     -0.381587     -0.337220    0.00   0.000181645  -0.000152805   0.000187418
 C     -0.927544     -0.927597      0.570157    0.00  -0.000021773  -0.000027592   0.000103644
 C     -0.482073      1.166833      1.842531    0.00   0.000552823   0.000327006   0.000540854
 H     -2.340983      1.079894     -1.898352    0.00  -0.000059600  -0.000002128  -0.000035701
 H     -2.633666      2.166387      0.461389    0.00   0.000017992   0.000007604  -0.000141606
 H     -1.755268      3.074965     -0.766400    0.00  -0.000102326  -0.000017278  -0.000093914
 H      0.452747      2.163804      0.167893    0.00  -0.000052067  -0.000016865   0.000058841
 H     -0.428919      3.243008      1.256374    0.00  -0.000025924   0.000002956  -0.000020309
 H     -2.927904     -0.222634      0.296678    0.00   0.000029180  -0.000065564  -0.000022214
 H     -1.456311      1.066110      2.349709    0.00   0.000063395   0.000070853  -0.000019398
 H      0.320043      1.321791      2.594761    0.00   0.000090245   0.000049882   0.000099375
 H     -0.639982      0.834976     -1.502844    0.00  -0.000062368   0.000002530   0.000015943
 O     -0.683564     -2.114170      0.705619    0.00  -0.000243157   0.000047582  -0.000726989
 C     -2.311491     -1.460312     -1.388220    0.00   0.000614431   0.000150410   0.000989471
 H     -2.548545     -2.425730     -0.918209    0.00   0.000073352  -0.000012202   0.000096043
 H     -3.151559     -1.182979     -2.031297    0.00   0.000067347  -0.000009161   0.000110197
 H     -1.435375     -1.640883     -2.030736    0.00   0.000054698   0.000069901   0.000106675
 H      1.005072     -2.585687      0.912908    0.00  -0.000006653  -0.000011488  -0.000032170
 O     -0.098432     -0.135835      1.338380    0.00   0.000390889  -0.000069653   0.001132206
 O      1.495980     -1.877051     -1.356583    0.00  -0.000130603  -0.000380799  -0.000555063
 C      2.255777     -2.510937     -0.656962    0.00  -0.000215547   0.000021796  -0.000302417
 H      3.257269     -2.874741     -0.893937    0.00  -0.000027063   0.000026302  -0.000013627
 O      1.944978     -2.877063      0.606472    0.00  -0.000244028   0.000032191  -0.000391616
26
 Energy =      -0.313025652933
 C     -0.474133      2.244343      0.772366    0.00  -0.000243503   0.000005449  -0.000003071
 C     -1.694584      2.163957     -0.146154    0.00  -0.000284629  -0.000020732  -0.000828303
 C     -1.641869      0.927805     -1.046866    0.00  -0.000436826  -0.000021735  -0.000244010
 C     -2.018440     -0.379645     -0.333767    0.00   0.000184032  -0.000148787   0.000189285
 C     -0.928072     -0.927774      0.571286    0.00  -0.000017124  -0.000023261   0.000108086
 C     -0.492791      1.167463      1.845319    0.00   0.000543356   0.000328125   0.000527989
 H     -2.332657      1.075497     -1.903268    0.00  -0.000058888  -0.000001655  -0.000034509
 H     -2.629793      2.177010      0.446311    0.00   0.000016127   0.000006720  -0.000141376
 H     -1.736621      3.073834     -0.779513    0.00  -0.000103382  -0.000017528  -0.000092404
 H      0.458564      2.155003      0.174514    0.00  -0.000052273  -0.000015937   0.000058681
 H     -0.425169      3.241812      1.253723    0.00  -0.000027124   0.000002950  -0.000020535
 H     -2.925690     -0.212036      0.303025    0.00   0.000029004  -0.000064632  -0.000022433
 H     -1.472239      1.069503      2.342838    0.00   0.000062297   0.000069623  -0.000019990
 H      0.301907      1.322992      2.605213    0.00   0.000089000   0.000049912   0.000096955
 H     -0.633704      0.825739     -1.502370    0.00  -0.000061977   0.000003657   0.000016358
 O     -0.678711     -2.113940      0.699764    0.00  -0.000229808   0.000047796  -0.000715196
 C     -2.324500     -1.460207     -1.379353    0.00   0.000617987   0.000145289   0.000988870
 H     -2.562976     -2.423071     -0.904889    0.00   0.000074561  -0.000012290   0.000096078
 H     -3.167355     -1.180932     -2.017958    0.00   0.000067645  -0.000009732   0.000108661
 H     -1.453394     -1.646871     -2.026831    0.00   0.000054526   0.000068759   0.000107604
 H      1.009282     -2.583631      0.910186    0.00  -0.000006423  -0.000010971  -0.000032153
 O     -0.105920     -0.136865      1.347615    0.00   0.000388972  -0.000056341   0.001126974
 O      1.501851     -1.873897     -1.358504    0.00  -0.000127297  -0.000399531  -0.000564568
 C      2.259494     -2.511741     -0.660169    0.00  -0.000211367   0.000012950  -0.000304627
 H      3.259265     -2.879511     -0.898274    0.00  -0.000026633   0.000025196  -0.000013656
 O      1.948225     -2.877587      0.603243    0.00  -0.000240254   0.000036704  -0.000388709
26
 Energy =       -0.31320316825
 C     -0.472022      2.241895      0.772199    0.00  -0.000252704   0.000008299  -0.000005223
 C     -1.686457      2.165324     -0.154606    0.00  -0.000295942  -0.000022551  -0.000821992
 C     -1.636395      0.924670     -1.049311    0.00  -0.000435134  -0.000016128  -0.000236565
 C     -2.019932     -0.377708     -0.330316    0.00   0.000186098  -0.000144525   0.000190812
 C     -0.928705     -0.927956      0.572435    0.00  -0.000012350  -0.000019001   0.000112645
 C     -0.503393      1.168061      1.847981    0.00   0.000533347   0.000328339   0.000514494
 H     -2.324488      1.071052     -1.908083    0.00  -0.000058096  -0.000001180  -0.000033280
 H     -2.625668      2.187536      0.431253    0.00   0.000014219   0.000005822  -0.000140962
 H     -1.717836      3.072487     -0.792484    0.00  -0.000104309  -0.000017723  -0.000090741
 H      0.464345      2.146051      0.181084    0.00  -0.000052412  -0.000014967   0.000058465
 H     -0.421263      3.240486      1.251022    0.00  -0.000028311   0.000002951  -0.000020769
 H     -2.923503     -0.201446      0.309282    0.00   0.000028785  -0.000063573  -0.000022633
 H     -1.487895      1.072926      2.335907    0.00   0.000061152   0.000068250  -0.000020564
 H      0.283907      1.324181      2.615364    0.00   0.000087647   0.000049828   0.000094408
 H     -0.627587      0.816396     -1.501952    0.00  -0.000061496   0.000004787   0.000016765
 O     -0.673983     -2.113645      0.693975    0.00  -0.000216016   0.000047955  -0.000701924
 C     -2.337543     -1.460026     -1.370416    0.00   0.000620211   0.000139897   0.000986511
 H     -2.577585     -2.420268     -0.891500    0.00   0.000075679  -0.000012378   0.000095942
 H     -3.183030     -1.178700     -2.004660    0.00   0.000067785  -0.000010259   0.000106889
 H     -1.471444     -1.652901     -2.022689    0.00   0.000054219   0.000067473   0.000108379
 H      1.013438     -2.581577      0.907397    0.00  -0.000006180  -0.000010416  -0.000032105
 O     -0.113484     -0.137959      1.356765    0.00   0.000386808  -0.000043308   0.001120777
 O      1.507881     -1.870573     -1.360391    0.00  -0.000124012  -0.000417194  -0.000573376
 C      2.263280     -2.512440     -0.663334    0.00  -0.000206859   0.000004265  -0.000306635
 H      3.261329     -2.884163     -0.902511    0.00  -0.000026158   0.000024058  -0.000013692
 O      1.951419     -2.878116      0.599994    0.00  -0.000235971   0.000041281  -0.000385626
26
 Energy =      -0.313379662063
 C     -0.469829      2.239328      0.771984    0.00  -0.000261633   0.000011112  -0.000007507
 C     -1.678220      2.166555     -0.163019    0.00  -0.000306798  -0.000024232  -0.000814491
 C     -1.631003      0.921459     -1.051740    0.00  -0.000432848  -0.000010475  -0.000228843
 C     -2.021495     -0.375774     -0.326871    0.00   0.000187836  -0.000140000   0.000191981
 C     -0.929444     -0.928144      0.573608    0.00  -0.000007486  -0.000014821   0.000117309
 C     -0.513878      1.168628      1.850522    0.00   0.000522776   0.000327633   0.000500381
 H     -2.316477      1.066560     -1.912801    0.00  -0.000057230  -0.000000709  -0.000032020
 H     -2.621290      2.197959      0.416218    0.00   0.000012275   0.000004912  -0.000140359
 H     -1.698918      3.070922     -0.805313    0.00  -0.000105097  -0.000017858  -0.000088924
 H      0.470091      2.136946      0.187599    0.00  -0.000052484  -0.000013955   0.000058187
 H     -0.417194      3.239029      1.248268    0.00  -0.000029482   0.000002955  -0.000021011
 H     -2.921347     -0.190870      0.315443    0.00   0.000028523  -0.000062394  -0.000022808
 H     -1.503280      1.076385      2.328926    0.00   0.000059957   0.000066734  -0.000021118
 H      0.266054      1.325365      2.625217    0.00   0.000086183   0.000049626   0.000091735
 H     -0.621632      0.806947     -1.501590    0.00  -0.000060924   0.000005911   0.000017165
 O     -0.669385     -2.113289      0.688258    0.00  -0.000201820   0.000048051  -0.000687124
 C     -2.350610     -1.459772     -1.361416    0.00   0.000621083   0.000134281   0.000982369
 H     -2.592370     -2.417322     -0.878046    0.00   0.000076699  -0.000012465   0.000095623
 H     -3.198567     -1.176287     -1.991419    0.00   0.000067758  -0.000010735   0.000104891
 H     -1.489507     -1.658976     -2.018305    0.00   0.000053784   0.000066051   0.000108992
 H      1.017536     -2.579526      0.904533    0.00  -0.000005930  -0.000009822  -0.000032025
 O     -0.121127     -0.139114      1.365835    0.00   0.000384382  -0.000030583   0.001113546
 O      1.514070     -1.867085     -1.362248    0.00  -0.000120694  -0.000433778  -0.000581439
 C      2.267136     -2.513031     -0.666460    0.00  -0.000202020  -0.000004276  -0.000308416
 H      3.263462     -2.888690     -0.906651    0.00  -0.000025633   0.000022886  -0.000013738
 O      1.954559     -2.878648      0.596723    0.00  -0.000231179   0.000045952  -0.000382354
26
 Energy =      -0.313554910331
 C     -0.467553      2.236643      0.771718    0.00  -0.000270271   0.000013870  -0.000009922
 C     -1.669876      2.167649     -0.171389    0.00  -0.000317150  -0.000025763  -0.000805794
 C     -1.625695      0.918172     -1.054155    0.00  -0.000429969  -0.000004799  -0.000220863
 C     -2.023129     -0.373847     -0.323432    0.00   0.000189219  -0.000135236   0.000192797
 C     -0.930294     -0.928337      0.574807    0.00  -0.000002513  -0.000010742   0.000122037
 C     -0.524239      1.169168      1.852946    0.00   0.000511637   0.000326010   0.000485655
 H     -2.308627      1.062020     -1.917419    0.00  -0.000056285  -0.000000242  -0.000030732
 H     -2.616658      2.208279      0.401214    0.00   0.000010300   0.000003992  -0.000139566
 H     -1.679875      3.069135     -0.818000    0.00  -0.000105738  -0.000017934  -0.000086956
 H      0.475803      2.127684      0.194052    0.00  -0.000052485  -0.000012907   0.000057844
 H     -0.412959      3.237442      1.245454    0.00  -0.000030635   0.000002964  -0.000021262
 H     -2.919228     -0.180311      0.321501    0.00   0.000028216  -0.000061092  -0.000022961
 H     -1.518387      1.079890      2.321905    0.00   0.000058712   0.000065079  -0.000021652
 H      0.248359      1.326544      2.634774    0.00   0.000084607   0.000049306   0.000088944
 H     -0.615843      0.797392     -1.501283    0.00  -0.000060259   0.000007024   0.000017555
 O     -0.664925     -2.112870      0.682620    0.00  -0.000187288   0.000048101  -0.000670746
 C     -2.363694     -1.459447     -1.352356    0.00   0.000620588   0.000128504   0.000976427
 H     -2.607327     -2.414230     -0.864529    0.00   0.000077612  -0.000012550   0.000095116
 H     -3.213954     -1.173697     -1.978252    0.00   0.000067563  -0.000011158   0.000102679
 H     -1.507571     -1.665098     -2.013677    0.00   0.000053227   0.000064501   0.000109436
 H      1.021574     -2.577481      0.901591    0.00  -0.000005671  -0.000009191  -0.000031907
 O     -0.128849     -0.140332      1.374827    0.00   0.000381662  -0.000018187   0.001105208
 O      1.520417     -1.863432     -1.364079    0.00  -0.000117309  -0.000449284  -0.000588705
 C      2.271062     -2.513512     -0.669549    0.00  -0.000196812  -0.000012667  -0.000309961
 H      3.265667     -2.893089     -0.910696    0.00  -0.000025061   0.000021675  -0.000013793
 O      1.957644     -2.879182      0.593427    0.00  -0.000225896   0.000050726  -0.000378877
26
 Energy =      -0.313728685896
 C     -0.465192      2.233836      0.771400    0.00  -0.000278591   0.000016560  -0.000012475
 C     -1.661424      2.168603     -0.179717    0.00  -0.000326946  -0.000027144  -0.000795910
 C     -1.620472      0.914810     -1.056555    0.00  -0.000426498   0.000000873  -0.000212640
 C     -2.024832     -0.371927     -0.320003    0.00   0.000190252  -0.000130210   0.000193237
 C     -0.931257     -0.928537      0.576037    0.00   0.000002482  -0.000006743   0.000126834
 C     -0.534474      1.169686      1.855256    0.00   0.000499933   0.000323458   0.000470332
 H     -2.300940      1.057437     -1.921940    0.00  -0.000055268   0.000000217  -0.000029420
 H     -2.611772      2.218490      0.386243    0.00   0.000008298   0.000003067  -0.000138575
 H     -1.660711      3.067123     -0.830544    0.00  -0.000106226  -0.000017949  -0.000084842
 H      0.481483      2.118261      0.200437    0.00  -0.000052414  -0.000011822   0.000057436
 H     -0.408550      3.235724      1.242574    0.00  -0.000031771   0.000002976  -0.000021513
 H     -2.917148     -0.169776      0.327450    0.00   0.000027866  -0.000059677  -0.000023087
 H     -1.533215      1.083449      2.314852    0.00   0.000057414   0.000063296  -0.000022167
 H      0.230834      1.327724      2.644034    0.00   0.000082920   0.000048868   0.000086038
 H     -0.610217      0.787728     -1.501035    0.00  -0.000059501   0.000008126   0.000017935
 O     -0.660607     -2.112393      0.677068    0.00  -0.000172439   0.000048106  -0.000652782
 C     -2.376786     -1.459054     -1.343242    0.00   0.000618723   0.000122600   0.000968680
 H     -2.622452     -2.410990     -0.850952    0.00   0.000078409  -0.000012627   0.000094413
 H     -3.229180     -1.170934     -1.965175    0.00   0.000067198  -0.000011527   0.000100264
 H     -1.525619     -1.671271     -2.008801    0.00   0.000052558   0.000062834   0.000109707
 H      1.025548     -2.575442      0.898566    0.00  -0.000005403  -0.000008516  -0.000031754
 O     -0.136652     -0.141608      1.383745    0.00   0.000378626  -0.000006174   0.001095702
 O      1.526921     -1.859615     -1.365885    0.00  -0.000113812  -0.000463704  -0.000595133
 C      2.275058     -2.513880     -0.672605    0.00  -0.000191233  -0.000020924  -0.000311251
 H      3.267947     -2.897351     -0.914648    0.00  -0.000024436   0.000020425  -0.000013860
 O      1.960671     -2.879714      0.590101    0.00  -0.000220140   0.000055612  -0.000375168
26
 Energy =      -0.313900760485
 C     -0.462740      2.230909      0.771028    0.00  -0.000286565   0.000019171  -0.000015167
 C     -1.652869      2.169415     -0.188001    0.00  -0.000336140  -0.000028365  -0.000784847
 C     -1.615335      0.911369     -1.058942    0.00  -0.000422433   0.000006514  -0.000204205
 C     -2.026607     -0.370016     -0.316583    0.00   0.000190913  -0.000124956   0.000193310
 C     -0.932336     -0.928741      0.577300    0.00   0.000007511  -0.000002838   0.000131658
 C     -0.544575      1.170185      1.857454    0.00   0.000487660   0.000319993   0.000454439
 H     -2.293418      1.052811     -1.926365    0.00  -0.000054179   0.000000665  -0.000028089
 H     -2.606632      2.228589      0.371315    0.00   0.000006275   0.000002137  -0.000137387
 H     -1.641434      3.064885     -0.842945    0.00  -0.000106554  -0.000017901  -0.000082585
 H      0.487131      2.108672      0.206750    0.00  -0.000052269  -0.000010706   0.000056959
 H     -0.403959      3.233876      1.239625    0.00  -0.000032888   0.000002989  -0.000021766
 H     -2.915113     -0.159267      0.333286    0.00   0.000027468  -0.000058154  -0.000023186
 H     -1.547758      1.087069      2.307777    0.00   0.000056064   0.000061389  -0.000022661
 H      0.213492      1.328907      2.653003    0.00   0.000081120   0.000048312   0.000083026
 H     -0.604760      0.777956     -1.500847    0.00  -0.000058651   0.000009206   0.000018304
 O     -0.656439     -2.111857      0.671607    0.00  -0.000157353   0.000048083  -0.000633217
 C     -2.389879     -1.458594     -1.334079    0.00   0.000615494   0.000116637   0.000959140
 H     -2.637744     -2.407601     -0.837321    0.00   0.000079084  -0.000012700   0.000093513
 H     -3.244232     -1.168006     -1.952203    0.00   0.000066664  -0.000011835   0.000097659
 H     -1.543638     -1.677497     -2.003678    0.00   0.000051782   0.000061059   0.000109798
 H      1.029455     -2.573412      0.895456    0.00  -0.000005131  -0.000007799  -0.000031556
 O     -0.144538     -0.142945      1.392594    0.00   0.000375251   0.000005439   0.001084965
 O      1.533581     -1.855633     -1.367669    0.00  -0.000110167  -0.000477040  -0.000600675
 C      2.279125     -2.514133     -0.675628    0.00  -0.000185261  -0.000029049  -0.000312267
 H      3.270306     -2.901468     -0.918506    0.00  -0.000023761   0.000019133  -0.000013937
 O      1.963638     -2.880244      0.586741    0.00  -0.000213933   0.000060616  -0.000371223
26
 Energy =      -0.314070906576
 C     -0.460197      2.227861      0.770598    0.00  -0.000294175   0.000021681  -0.000017995
 C     -1.644208      2.170083     -0.196239    0.00  -0.000344687  -0.000029424  -0.000772632
 C     -1.610286      0.907851     -1.061314    0.00  -0.000417777   0.000012099  -0.000195581
 C     -2.028452     -0.368114     -0.313176    0.00   0.000191194  -0.000119486   0.000193015
 C     -0.933535     -0.928950      0.578600    0.00   0.000012546   0.000000976   0.000136485
 C     -0.554538      1.170668      1.859543    0.00   0.000474823   0.000315642   0.000438000
 H     -2.286062      1.048142     -1.930693    0.00  -0.000053020   0.000001101  -0.000026743
 H     -2.601236      2.238572      0.356433    0.00   0.000004241   0.000001207  -0.000136001
 H     -1.622050      3.062417     -0.855203    0.00  -0.000106716  -0.000017788  -0.000080193
 H      0.492749      2.098912      0.212985    0.00  -0.000052049  -0.000009560   0.000056412
 H     -0.399180      3.231896      1.236599    0.00  -0.000033979   0.000003005  -0.000022016
 H     -2.913127     -0.148791      0.339004    0.00   0.000027026  -0.000056528  -0.000023258
 H     -1.562013      1.090759      2.300690    0.00   0.000054659   0.000059364  -0.000023133
 H      0.196348      1.330098      2.661680    0.00   0.000079212   0.000047641   0.000079916
 H     -0.599471      0.768073     -1.500719    0.00  -0.000057711   0.000010261   0.000018661
 O     -0.652427     -2.111266      0.666249    0.00  -0.000142099   0.000048048  -0.000612062
 C     -2.402966     -1.458069     -1.324872    0.00   0.000610914   0.000110661   0.000947829
 H     -2.653197     -2.404064     -0.823640    0.00   0.000079630  -0.000012764   0.000092412
 H     -3.259099     -1.164918     -1.939351    0.00   0.000065963  -0.000012082   0.000094881
 H     -1.561617     -1.683778     -1.998303    0.00   0.000050912   0.000059185   0.000109706
 H      1.033289     -2.571397      0.892252    0.00  -0.000004859  -0.000007042  -0.000031316
 O     -0.152505     -0.144338      1.401376    0.00   0.000371509   0.000016608   0.001072937
 O      1.540398     -1.851486     -1.369432    0.00  -0.000106341  -0.000489294  -0.000605275
 C      2.283263     -2.514267     -0.678622    0.00  -0.000178893  -0.000037050  -0.000312996
 H      3.272745     -2.905432     -0.922271    0.00  -0.000023036   0.000017798  -0.000014025
 O      1.966544     -2.880771      0.583346    0.00  -0.000207287   0.000065740  -0.000367028
26
 Energy =      -0.314238899373
 C     -0.457557      2.224687      0.770108    0.00  -0.000301395   0.000024079  -0.000020949
 C     -1.635445      2.170605     -0.204431    0.00  -0.000352537  -0.000030314  -0.000759296
 C     -1.605326      0.904254     -1.063674    0.00  -0.000412545   0.000017594  -0.000186790
 C     -2.030368     -0.366224     -0.309783    0.00   0.000191098  -0.000113807   0.000192345
 C     -0.934858     -0.929166      0.579941    0.00   0.000017538   0.000004671   0.000141270
 C     -0.564355      1.171137      1.861525    0.00   0.000461428   0.000310426   0.000421054
 H     -2.278874      1.043434     -1.934928    0.00  -0.000051796   0.000001522  -0.000025388
 H     -2.595584      2.248435      0.341604    0.00   0.000002201   0.000000282  -0.000134416
 H     -1.602566      3.059715     -0.867318    0.00  -0.000106706  -0.000017611  -0.000077674
 H      0.498340      2.088976      0.219133    0.00  -0.000051748  -0.000008393   0.000055793
 H     -0.394204      3.229784      1.233490    0.00  -0.000035048   0.000003025  -0.000022259
 H     -2.911195     -0.138348      0.344597    0.00   0.000026539  -0.000054809  -0.000023301
 H     -1.575977      1.094526      2.293597    0.00   0.000053204   0.000057236  -0.000023585
 H      0.179412      1.331298      2.670068    0.00   0.000077197   0.000046856   0.000076719
 H     -0.594353      0.758078     -1.500650    0.00  -0.000056681   0.000011289   0.000019004
 O     -0.648580     -2.110623      0.660999    0.00  -0.000126752   0.000048027  -0.000589336
 C     -2.416040     -1.457483     -1.315628    0.00   0.000605024   0.000104719   0.000934787
 H     -2.668807     -2.400375     -0.809912    0.00   0.000080043  -0.000012818   0.000091107
 H     -3.273772     -1.161676     -1.926635    0.00   0.000065095  -0.000012269   0.000091945
 H     -1.579542     -1.690114     -1.992680    0.00   0.000049952   0.000057226   0.000109428
 H      1.037047     -2.569399      0.888951    0.00  -0.000004590  -0.000006242  -0.000031034
 O     -0.160555     -0.145789      1.410094    0.00   0.000367389   0.000027314   0.001059569
 O      1.547369     -1.847173     -1.371176    0.00  -0.000102269  -0.000500452  -0.000608902
 C      2.287474     -2.514274     -0.681587    0.00  -0.000172149  -0.000044959  -0.000313380
 H      3.275270     -2.909232     -0.925942    0.00  -0.000022258   0.000016420  -0.000014126
 O      1.969385     -2.881294      0.579910    0.00  -0.000200235   0.000070989  -0.000362585
26
 Energy =      -0.314404518621
 C     -0.454814      2.221389      0.769555    0.00  -0.000308190   0.000026360  -0.000024018
 C     -1.626580      2.170977     -0.212576    0.00  -0.000359653  -0.000031033  -0.000744878
 C     -1.600456      0.900578     -1.066019    0.00  -0.000406744   0.000022973  -0.000177868
 C     -2.032355     -0.364347     -0.306406    0.00   0.000190616  -0.000107956   0.000191313
 C     -0.936307     -0.929388      0.581325    0.00   0.000022483   0.000008272   0.000145994
 C     -0.574023      1.171597      1.863404    0.00   0.000447502   0.000304386   0.000403629
 H     -2.271857      1.038688     -1.939068    0.00  -0.000050512   0.000001925  -0.000024028
 H     -2.589674      2.258173      0.326835    0.00   0.000000164  -0.000000637  -0.000132635
 H     -1.582988      3.056779     -0.879289    0.00  -0.000106521  -0.000017369  -0.000075037
 H      0.503905      2.078861      0.225190    0.00  -0.000051371  -0.000007206   0.000055104
 H     -0.389024      3.227539      1.230295    0.00  -0.000036087   0.000003045  -0.000022500
 H     -2.909321     -0.127945      0.350062    0.00   0.000026006  -0.000053005  -0.000023313
 H     -1.589644      1.098377      2.286507    0.00   0.000051690   0.000055011  -0.000024015
 H      0.162699      1.332509      2.678168    0.00   0.000075079   0.000045962   0.000073444
 H     -0.589406      0.747972     -1.500645    0.00  -0.000055562   0.000012278   0.000019332
 O     -0.644907     -2.109930      0.655866    0.00  -0.000111405   0.000048037  -0.000565097
 C     -2.429095     -1.456837     -1.306351    0.00   0.000597846   0.000098857   0.000920059
 H     -2.684571     -2.396535     -0.796146    0.00   0.000080317  -0.000012859   0.000089600
 H     -3.288244     -1.158286     -1.914069    0.00   0.000064067  -0.000012392   0.000088869
 H     -1.597403     -1.696508     -1.986807    0.00   0.000048919   0.000055191   0.000108968
 H      1.040722     -2.567421      0.885547    0.00  -0.000004314  -0.000005400  -0.000030699
 O     -0.168687     -0.147295      1.418748    0.00   0.000362853   0.000037506   0.001044820
 O      1.554496     -1.842691     -1.372902    0.00  -0.000097968  -0.000510548  -0.000611481
 C      2.291756     -2.514152     -0.684523    0.00  -0.000164966  -0.000052728  -0.000313472
 H      3.277884     -2.912856     -0.929519    0.00  -0.000021430   0.000014994  -0.000014237
 O      1.972160     -2.881810      0.576429    0.00  -0.000192821   0.000076337  -0.000357855
26
 Energy =      -0.314567550416
 C     -0.451966      2.217965      0.768936    0.00  -0.000314538   0.000028501  -0.000027202
 C     -1.617616      2.171198     -0.220671    0.00  -0.000365995  -0.000031578  -0.000729424
 C     -1.595677      0.896822     -1.068352    0.00  -0.000400392   0.000028204  -0.000168848
 C     -2.034413     -0.362484     -0.303047    0.00   0.000189738  -0.000101957   0.000189922
 C     -0.937885     -0.929618      0.582756    0.00   0.000027343   0.000011770   0.000150607
 C     -0.583533      1.172049      1.865180    0.00   0.000433056   0.000297563   0.000385784
 H     -2.265011      1.033904     -1.943115    0.00  -0.000049168   0.000002308  -0.000022670
 H     -2.583507      2.267784      0.312131    0.00  -0.000001860  -0.000001541  -0.000130664
 H     -1.563326      3.053605     -0.891117    0.00  -0.000106156  -0.000017064  -0.000072291
 H      0.509447      2.068562      0.231148    0.00  -0.000050914  -0.000006006   0.000054345
 H     -0.383630      3.225157      1.227006    0.00  -0.000037093   0.000003071  -0.000022727
 H     -2.907509     -0.117587      0.355394    0.00   0.000025429  -0.000051125  -0.000023295
 H     -1.603007      1.102318      2.279427    0.00   0.000050123   0.000052704  -0.000024425
 H      0.146225      1.333735      2.685981    0.00   0.000072862   0.000044964   0.000070106
 H     -0.584633      0.737751     -1.500701    0.00  -0.000054360   0.000013228   0.000019645
 O     -0.641415     -2.109192      0.650861    0.00  -0.000096138   0.000048106  -0.000539403
 C     -2.442124     -1.456134     -1.297049    0.00   0.000589437   0.000093121   0.000903710
 H     -2.700483     -2.392542     -0.782346    0.00   0.000080447  -0.000012886   0.000087894
 H     -3.302504     -1.154758     -1.901667    0.00   0.000062884  -0.000012453   0.000085671
 H     -1.615188     -1.702962     -1.980687    0.00   0.000047820   0.000053092   0.000108320
 H      1.044309     -2.565471      0.882034    0.00  -0.000004046  -0.000004516  -0.000030317
 O     -0.176900     -0.148855      1.427340    0.00   0.000357883   0.000047153   0.001028653
 O      1.561778     -1.838035     -1.374609    0.00  -0.000093379  -0.000519572  -0.000612967
 C      2.296112     -2.513895     -0.687433    0.00  -0.000157369  -0.000060392  -0.000313220
 H      3.280594     -2.916291     -0.932999    0.00  -0.000020554   0.000013525  -0.000014358
 O      1.974864     -2.882320      0.572900    0.00  -0.000185060   0.000081782  -0.000352847
26
 Energy =      -0.314727788894
 C     -0.449008      2.214412      0.768248    0.00  -0.000320409   0.000030500  -0.000030476
 C     -1.608553      2.171266     -0.228717    0.00  -0.000371524  -0.000031944  -0.000712996
 C     -1.590991      0.892986     -1.070672    0.00  -0.000393510   0.000033260  -0.000159763
 C     -2.036543     -0.360637     -0.299707    0.00   0.000188477  -0.000095836   0.000188176
 C     -0.939596     -0.929857      0.584237    0.00   0.000032079   0.000015144   0.000155072
 C     -0.592877      1.172496      1.866855    0.00   0.000418111   0.000290007   0.000367558
 H     -2.258338      1.029087     -1.947070    0.00  -0.000047775   0.000002670  -0.000021317
 H     -2.577082      2.277260      0.297502    0.00  -0.000003865  -0.000002431  -0.000128504
 H     -1.543584      3.050191     -0.902802    0.00  -0.000105610  -0.000016695  -0.000069450
 H      0.514967      2.058073      0.236998    0.00  -0.000050378  -0.000004799   0.000053516
 H     -0.378013      3.222640      1.223619    0.00  -0.000038065   0.000003099  -0.000022939
 H     -2.905764     -0.107277      0.360589    0.00   0.000024810  -0.000049181  -0.000023247
 H     -1.616064      1.106356      2.272363    0.00   0.000048501   0.000050325  -0.000024812
 H      0.130003      1.334976      2.693508    0.00   0.000070554   0.000043865   0.000066713
 H     -0.580033      0.727415     -1.500818    0.00  -0.000053076   0.000014132   0.000019941
 O     -0.638115     -2.108414      0.645992    0.00  -0.000081048   0.000048268  -0.000512343
 C     -2.455121     -1.455376     -1.287729    0.00   0.000579847   0.000087548   0.000885815
 H     -2.716538     -2.388399     -0.768519    0.00   0.000080432  -0.000012897   0.000085992
 H     -3.316546     -1.151097     -1.889444    0.00   0.000061552  -0.000012454   0.000082370
 H     -1.632887     -1.709473     -1.974322    0.00   0.000046666   0.000050941   0.000107489
 H      1.047801     -2.563553      0.878408    0.00  -0.000003781  -0.000003594  -0.000029884
 O     -0.185193     -0.150469      1.435870    0.00   0.000352467   0.000056232   0.001011046
 O      1.569214     -1.833203     -1.376299    0.00  -0.000088462  -0.000527529  -0.000613308
 C      2.300543     -2.513494     -0.690314    0.00  -0.000149360  -0.000067947  -0.000312600
 H      3.283402     -2.919525     -0.936381    0.00  -0.000019630   0.000012010  -0.000014491
 O      1.977495     -2.882823      0.569318    0.00  -0.000177004   0.000087307  -0.000347556
26
 Energy =      -0.314885037834
 C     -0.445934      2.210731      0.767488    0.00  -0.000325776   0.000032343  -0.000033831
 C     -1.599393      2.171178     -0.236711    0.00  -0.000376212  -0.000032131  -0.000695655
 C     -1.586398      0.889068     -1.072978    0.00  -0.000386127   0.000038108  -0.000150649
 C     -2.038745     -0.358808     -0.296388    0.00   0.000186834  -0.000089616   0.000186086
 C     -0.941442     -0.930105      0.585771    0.00   0.000036663   0.000018399   0.000159352
 C     -0.602049      1.172941      1.868430    0.00   0.000402698   0.000281778   0.000349009
 H     -2.251838      1.024235     -1.950935    0.00  -0.000046334   0.000003006  -0.000019978
 H     -2.570400      2.286600      0.282953    0.00  -0.000005839  -0.000003297  -0.000126164
 H     -1.523772      3.046534     -0.914345    0.00  -0.000104882  -0.000016264  -0.000066526
 H      0.520470      2.047391      0.242734    0.00  -0.000049760  -0.000003592   0.000052616
 H     -0.372164      3.219983      1.220127    0.00  -0.000038997   0.000003131  -0.000023131
 H     -2.904090     -0.097018      0.365644    0.00   0.000024148  -0.000047181  -0.000023166
 H     -1.628806      1.110497      2.265322    0.00   0.000046827   0.000047888  -0.000025177
 H      0.114048      1.336234      2.700751    0.00   0.000068158   0.000042674   0.000063283
 H     -0.575611      0.716965     -1.500997    0.00  -0.000051713   0.000014984   0.000020217
 O     -0.635016     -2.107601      0.641271    0.00  -0.000066233   0.000048544  -0.000484031
 C     -2.468081     -1.454567     -1.278397    0.00   0.000569143   0.000082169   0.000866460
 H     -2.732732     -2.384103     -0.754673    0.00   0.000080268  -0.000012891   0.000083898
 H     -3.330363     -1.147311     -1.877414    0.00   0.000060076  -0.000012394   0.000078988
 H     -1.650490     -1.716045     -1.967714    0.00   0.000045468   0.000048751   0.000106478
 H      1.051191     -2.561676      0.874660    0.00  -0.000003525  -0.000002637  -0.000029399
 O     -0.193564     -0.152134      1.444337    0.00   0.000346579   0.000064703   0.000991979
 O      1.576801     -1.828190     -1.377968    0.00  -0.000083176  -0.000534429  -0.000612451
 C      2.305048     -2.512942     -0.693168    0.00  -0.000140943  -0.000075394  -0.000311587
 H      3.286317     -2.922539     -0.939662    0.00  -0.000018659   0.000010452  -0.000014633
 O      1.980049     -2.883320      0.565679    0.00  -0.000168685   0.000092897  -0.000341987
26
 Energy =      -0.315039112068
 C     -0.442741      2.206917      0.766652    0.00  -0.000330611   0.000034025  -0.000037245
 C     -1.590137      2.170931     -0.244652    0.00  -0.000380036  -0.000032136  -0.000677476
 C     -1.581899      0.885069     -1.075270    0.00  -0.000378265   0.000042723  -0.000141548
 C     -2.041019     -0.357000     -0.293093    0.00   0.000184805  -0.000083347   0.000183657
 C     -0.943428     -0.930365      0.587360    0.00   0.000041060   0.000021532   0.000163395
 C     -0.611039      1.173383      1.869906    0.00   0.000386849   0.000272930   0.000330195
 H     -2.245514      1.019354     -1.954707    0.00  -0.000044855   0.000003318  -0.000018655
 H     -2.563459      2.295796      0.268492    0.00  -0.000007775  -0.000004138  -0.000123650
 H     -1.503901      3.042634     -0.925745    0.00  -0.000103971  -0.000015773  -0.000063531
 H      0.525955      2.036511      0.248347    0.00  -0.000049063  -0.000002390   0.000051649
 H     -0.366072      3.217185      1.216525    0.00  -0.000039887   0.000003168  -0.000023299
 H     -2.902491     -0.086816      0.370555    0.00   0.000023443  -0.000045139  -0.000023055
 H     -1.641229      1.114742      2.258309    0.00   0.000045101   0.000045403  -0.000025519
 H      0.098377      1.337510      2.707711    0.00   0.000065682   0.000041397   0.000059826
 H     -0.571366      0.706397     -1.501240    0.00  -0.000050278   0.000015779   0.000020473
 O     -0.632128     -2.106756      0.636705    0.00  -0.000051787   0.000048961  -0.000454587
 C     -2.480998     -1.453708     -1.269059    0.00   0.000557393   0.000077025   0.000845745
 H     -2.749059     -2.379655     -0.740815    0.00   0.000079956  -0.000012866   0.000081620
 H     -3.343949     -1.143409     -1.865588    0.00   0.000058470  -0.000012279   0.000075543
 H     -1.667987     -1.722676     -1.960869    0.00   0.000044237   0.000046533   0.000105289
 H      1.054471     -2.559846      0.870788    0.00  -0.000003281  -0.000001645  -0.000028865
 O     -0.202009     -0.153850      1.452742    0.00   0.000340205   0.000072549   0.000971458
 O      1.584539     -1.822991     -1.379616    0.00  -0.000077484  -0.000540274  -0.000610343
 C      2.309629     -2.512232     -0.695993    0.00  -0.000132119  -0.000082730  -0.000310164
 H      3.289344     -2.925316     -0.942839    0.00  -0.000017643   0.000008854  -0.000014782
 O      1.982521     -2.883810      0.561979    0.00  -0.000160148   0.000098520  -0.000336131
26
 Energy =      -0.315189838817
 C     -0.439420      2.202971      0.765738    0.00  -0.000334886   0.000035536  -0.000040705
 C     -1.580789      2.170523     -0.252538    0.00  -0.000382973  -0.000031961  -0.000658531
 C     -1.577496      0.880986     -1.077551    0.00  -0.000369966   0.000047081  -0.000132497
 C     -2.043363     -0.355212     -0.289822    0.00   0.000182394  -0.000077055   0.000180904
 C     -0.945554     -0.930638      0.589007    0.00   0.000045233   0.000024543   0.000167158
 C     -0.619839      1.173826      1.871283    0.00   0.000370589   0.000263530   0.000311178
 H     -2.239365      1.014444     -1.958391    0.00  -0.000043342   0.000003602  -0.000017355
 H     -2.556260      2.304845      0.254128    0.00  -0.000009664  -0.000004947  -0.000120972
 H     -1.483977      3.038486     -0.937004    0.00  -0.000102879  -0.000015223  -0.000060481
 H      0.531428      2.025431      0.253828    0.00  -0.000048286  -0.000001199   0.000050615
 H     -0.359729      3.214243      1.212809    0.00  -0.000040728   0.000003213  -0.000023435
 H     -2.900970     -0.076675      0.375320    0.00   0.000022699  -0.000043063  -0.000022914
 H     -1.653323      1.119100      2.251330    0.00   0.000043325   0.000042886  -0.000025836
 H      0.083006      1.338803      2.714387    0.00   0.000063136   0.000040043   0.000056357
 H     -0.567298      0.695712     -1.501545    0.00  -0.000048775   0.000016513   0.000020707
 O     -0.629462     -2.105889      0.632307    0.00  -0.000037804   0.000049546  -0.000424164
 C     -2.493867     -1.452801     -1.259725    0.00   0.000544673   0.000072135   0.000823769
 H     -2.765511     -2.375056     -0.726955    0.00   0.000079494  -0.000012822   0.000079169
 H     -3.357299     -1.139399     -1.853980    0.00   0.000056743  -0.000012112   0.000072056
 H     -1.685371     -1.729364     -1.953790    0.00   0.000042983   0.000044300   0.000103929
 H      1.057634     -2.558073      0.866784    0.00  -0.000003051  -0.000000628  -0.000028282
 O     -0.210525     -0.155617      1.461081    0.00   0.000333338   0.000079733   0.000949491
 O      1.592424     -1.817600     -1.381239    0.00  -0.000071344  -0.000545076  -0.000606922
 C      2.314286     -2.511353     -0.698788    0.00  -0.000122895  -0.000089952  -0.000308301
 H      3.292487     -2.927839     -0.945907    0.00  -0.000016584   0.000007221  -0.000014938
 O      1.984910     -2.884291      0.558215    0.00  -0.000151430   0.000104157  -0.000330002
26
 Energy =      -0.315337058812
 C     -0.435969      2.198889      0.764739    0.00  -0.000338579   0.000036875  -0.000044177
 C     -1.571350      2.169953     -0.260369    0.00  -0.000385009  -0.000031600  -0.000638908
 C     -1.573190      0.876822     -1.079816    0.00  -0.000361269   0.000051151  -0.000123535
 C     -2.045781     -0.353449     -0.286577    0.00   0.000179621  -0.000070764   0.000177826
 C     -0.947823     -0.930927      0.590713    0.00   0.000049169   0.000027405   0.000170604
 C     -0.628438      1.174270      1.872561    0.00   0.000353966   0.000253646   0.000292009
 H     -2.233393      1.009505     -1.961986    0.00  -0.000041806   0.000003856  -0.000016083
 H     -2.548805      2.313742      0.239868    0.00  -0.000011496  -0.000005719  -0.000118137
 H     -1.464010      3.034092     -0.948122    0.00  -0.000101610  -0.000014620  -0.000057392
 H      0.536890      2.014146      0.259169    0.00  -0.000047429  -0.000000028   0.000049518
 H     -0.353125      3.211155      1.208973    0.00  -0.000041517   0.000003264  -0.000023537
 H     -2.899530     -0.066599      0.379935    0.00   0.000021917  -0.000040967  -0.000022741
 H     -1.665082      1.123571      2.244389    0.00   0.000041502   0.000040350  -0.000026128
 H      0.067951      1.340115      2.720781    0.00   0.000060524   0.000038619   0.000052890
 H     -0.563411      0.684910     -1.501911    0.00  -0.000047208   0.000017182   0.000020917
 O     -0.627029     -2.105006      0.628086    0.00  -0.000024406   0.000050329  -0.000392930
 C     -2.506682     -1.451851     -1.250400    0.00   0.000531068   0.000067517   0.000800657
 H     -2.782083     -2.370307     -0.713100    0.00   0.000078884  -0.000012756   0.000076552
 H     -3.370409     -1.135288     -1.842602    0.00   0.000054901  -0.000011895   0.000068546
 H     -1.702635     -1.736110     -1.946485    0.00   0.000041718   0.000042064   0.000102405
 H      1.060671     -2.556363      0.862642    0.00  -0.000002835   0.000000415  -0.000027649
 O     -0.219106     -0.157432      1.469352    0.00   0.000325954   0.000086244   0.000926105
 O      1.600453     -1.812008     -1.382834    0.00  -0.000064711  -0.000548849  -0.000602136
 C      2.319018     -2.510296     -0.701552    0.00  -0.000113278  -0.000097038  -0.000305986
 H      3.295755     -2.930085     -0.948863    0.00  -0.000015483   0.000005554  -0.000015097
 O      1.987208     -2.884766      0.554382    0.00  -0.000142586   0.000109766  -0.000323592
26
 Energy =       -0.31548062725
 C     -0.432381      2.194672      0.763655    0.00  -0.000341659   0.000038040  -0.000047648
 C     -1.561822      2.169217     -0.268144    0.00  -0.000386147  -0.000031061  -0.000618692
 C     -1.568981      0.872574     -1.082068    0.00  -0.000352212   0.000054915  -0.000114707
 C     -2.048268     -0.351710     -0.283362    0.00   0.000176478  -0.000064525   0.000174449
 C     -0.950239     -0.931234      0.592482    0.00   0.000052797   0.000030146   0.000173683
 C     -0.636827      1.174715      1.873741    0.00   0.000337015   0.000243350   0.000272776
 H     -2.227596      1.004542     -1.965493    0.00  -0.000040252   0.000004080  -0.000014845
 H     -2.541093      2.322479      0.225719    0.00  -0.000013264  -0.000006448  -0.000115159
 H     -1.444011      3.029448     -0.959101    0.00  -0.000100165  -0.000013964  -0.000054278
 H      0.542344      2.002654      0.264361    0.00  -0.000046496   0.000001117   0.000048359
 H     -0.346252      3.207916      1.205013    0.00  -0.000042249   0.000003325  -0.000023602
 H     -2.898173     -0.056593      0.384398    0.00   0.000021098  -0.000038862  -0.000022541
 H     -1.676498      1.128159      2.237490    0.00   0.000039634   0.000037804  -0.000026393
 H      0.053229      1.341445      2.726891    0.00   0.000057855   0.000037133   0.000049438
 H     -0.559704      0.673991     -1.502338    0.00  -0.000045586   0.000017781   0.000021102
 O     -0.624838     -2.104112      0.624052    0.00  -0.000011647   0.000051314  -0.000361073
 C     -2.519440     -1.450861     -1.241094    0.00   0.000516659   0.000063199   0.000776516
 H     -2.798768     -2.365409     -0.699262    0.00   0.000078124  -0.000012671   0.000073785
 H     -3.383274     -1.131086     -1.831464    0.00   0.000052960  -0.000011634   0.000065037
 H     -1.719768     -1.742912     -1.938958    0.00   0.000040453   0.000039834   0.000100723
 H      1.063572     -2.554730      0.858359    0.00  -0.000002637   0.000001475  -0.000026969
 O     -0.227747     -0.159295      1.477551    0.00   0.000318055   0.000092057   0.000901335
 O      1.608622     -1.806211     -1.384395    0.00  -0.000057537  -0.000551598  -0.000595942
 C      2.323826     -2.509049     -0.704280    0.00  -0.000103279  -0.000103986  -0.000303172
 H      3.299154     -2.932032     -0.951702    0.00  -0.000014343   0.000003862  -0.000015256
 O      1.989412     -2.885235      0.550477    0.00  -0.000133656   0.000115321  -0.000316926
26
 Energy =      -0.315620414634
 C     -0.428650      2.190316      0.762481    0.00  -0.000344115   0.000039031  -0.000051094
 C     -1.552208      2.168314     -0.275861    0.00  -0.000386379  -0.000030338  -0.000597977
 C     -1.564869      0.868242     -1.084307    0.00  -0.000342846   0.000058351  -0.000106053
 C     -2.050826     -0.350000     -0.280176    0.00   0.000172972  -0.000058379   0.000170777
 C     -0.952801     -0.931561      0.594315    0.00   0.000056143   0.000032746   0.000176341
 C     -0.644996      1.175163      1.874819    0.00   0.000319779   0.000232713   0.000253536
 H     -2.221974      0.999555     -1.968913    0.00  -0.000038688   0.000004274  -0.000013645
 H     -2.533128      2.331052      0.211691    0.00  -0.000014959  -0.000007132  -0.000112050
 H     -1.423991      3.024555     -0.969941    0.00  -0.000098551  -0.000013262  -0.000051152
 H      0.547794      1.990954      0.269394    0.00  -0.000045486   0.000002228   0.000047144
 H     -0.339100      3.204525      1.200923    0.00  -0.000042918   0.000003394  -0.000023622
 H     -2.896902     -0.046660      0.388707    0.00   0.000020242  -0.000036758  -0.000022314
 H     -1.687560      1.132864      2.230638    0.00   0.000037726   0.000035262  -0.000026626
 H      0.038860      1.342789      2.732718    0.00   0.000055139   0.000035594   0.000046014
 H     -0.556177      0.662955     -1.502825    0.00  -0.000043915   0.000018307   0.000021260
 O     -0.622903     -2.103220      0.620216    0.00   0.000000342   0.000052536  -0.000328783
 C     -2.532133     -1.449831     -1.231813    0.00   0.000501538   0.000059182   0.000751486
 H     -2.815556     -2.360364     -0.685450    0.00   0.000077220  -0.000012564   0.000070878
 H     -3.395890     -1.126803     -1.820577    0.00   0.000050932  -0.000011334   0.000061545
 H     -1.736765     -1.749767     -1.931218    0.00   0.000039195   0.000037624   0.000098889
 H      1.066329     -2.553183      0.853928    0.00  -0.000002466   0.000002544  -0.000026248
 O     -0.236440     -0.161205      1.485675    0.00   0.000309627   0.000097165   0.000875238
 O      1.616925     -1.800198     -1.385917    0.00  -0.000049781  -0.000553343  -0.000588283
 C      2.328707     -2.507602     -0.706970    0.00  -0.000092908  -0.000110769  -0.000299846
 H      3.302689     -2.933656     -0.954418    0.00  -0.000013164   0.000002153  -0.000015412
 O      1.991518     -2.885697      0.546495    0.00  -0.000124678   0.000120776  -0.000310004
26
 Energy =      -0.315756307372
 C     -0.424774      2.185822      0.761213    0.00  -0.000345926   0.000039844  -0.000054484
 C     -1.542510      2.167242     -0.283519    0.00  -0.000385718  -0.000029439  -0.000576853
 C     -1.560854      0.863826     -1.086531    0.00  -0.000333223   0.000061446  -0.000097612
 C     -2.053453     -0.348321     -0.277023    0.00   0.000169128  -0.000052336   0.000166829
 C     -0.955509     -0.931912      0.596212    0.00   0.000059087   0.000035237   0.000178560
 C     -0.652932      1.175612      1.875798    0.00   0.000302309   0.000221800   0.000234358
 H     -2.216527      0.994547     -1.972248    0.00  -0.000037123   0.000004434  -0.000012489
 H     -2.524910      2.339455      0.197791    0.00  -0.000016575  -0.000007763  -0.000108819
 H     -1.403960      3.019410     -0.980643    0.00  -0.000096774  -0.000012517  -0.000048035
 H      0.553243      1.979043      0.274259    0.00  -0.000044403   0.000003300   0.000045873
 H     -0.331659      3.200978      1.196700    0.00  -0.000043521   0.000003478  -0.000023597
 H     -2.895719     -0.036806      0.392862    0.00   0.000019354  -0.000034666  -0.000022063
 H     -1.698261      1.137689      2.223836    0.00   0.000035781   0.000032741  -0.000026828
 H      0.024861      1.344149      2.738261    0.00   0.000052382   0.000034009   0.000042635
 H     -0.552831      0.651803     -1.503371    0.00  -0.000042201   0.000018757   0.000021389
 O     -0.621232     -2.102336      0.616586    0.00   0.000011535   0.000053979  -0.000296292
 C     -2.544761     -1.448766     -1.222565    0.00   0.000485797   0.000055472   0.000725692
 H     -2.832440     -2.355174     -0.671674    0.00   0.000076172  -0.000012436   0.000067847
 H     -3.408256     -1.122446     -1.809952    0.00   0.000048827  -0.000011002   0.000058090
 H     -1.753622     -1.756672     -1.923274    0.00   0.000037955   0.000035444   0.000096914
 H      1.068930     -2.551733      0.849347    0.00  -0.000002309   0.000003619  -0.000025481
 O     -0.245178     -0.163160      1.493717    0.00   0.000300673   0.000101539   0.000847872
 O      1.625351     -1.793960     -1.387392    0.00  -0.000041395  -0.000554102  -0.000579125
 C      2.333661     -2.505940     -0.709618    0.00  -0.000082176  -0.000117364  -0.000295973
 H      3.306366     -2.934932     -0.957006    0.00  -0.000011949   0.000000433  -0.000015560
 O      1.993521     -2.886154      0.542434    0.00  -0.000115708   0.000126094  -0.000302847
26
 Energy =      -0.315888208291
 C     -0.420743      2.181187      0.759846    0.00  -0.000347075   0.000040489  -0.000057804
 C     -1.532731      2.165998     -0.291117    0.00  -0.000384182  -0.000028367  -0.000555420
 C     -1.556936      0.859327     -1.088741    0.00  -0.000323389   0.000064184  -0.000089424
 C     -2.056146     -0.346674     -0.273904    0.00   0.000164945  -0.000046440   0.000162607
 C     -0.958367     -0.932291      0.598173    0.00   0.000061648   0.000037593   0.000180285
 C     -0.660624      1.176061      1.876672    0.00   0.000284643   0.000210694   0.000215318
 H     -2.211251      0.989517     -1.975501    0.00  -0.000035565   0.000004563  -0.000011381
 H     -2.516442      2.347680      0.184029    0.00  -0.000018103  -0.000008340  -0.000105484
 H     -1.383932      3.014015     -0.991210    0.00  -0.000094842  -0.000011735  -0.000044939
 H      0.558693      1.966922      0.278945    0.00  -0.000043252   0.000004325   0.000044551
 H     -0.323925      3.197271      1.192340    0.00  -0.000044051   0.000003573  -0.000023521
 H     -2.894623     -0.027034      0.396859    0.00   0.000018434  -0.000032598  -0.000021786
 H     -1.708587      1.142631      2.217088    0.00   0.000033804   0.000030244  -0.000026995
 H      0.011251      1.345519      2.743519    0.00   0.000049594   0.000032392   0.000039310
 H     -0.549665      0.640535     -1.503974    0.00  -0.000040452   0.000019127   0.000021487
 O     -0.619835     -2.101471      0.613173    0.00   0.000021828   0.000055657  -0.000263812
 C     -2.557315     -1.447668     -1.213360    0.00   0.000469527   0.000052073   0.000699270
 H     -2.849410     -2.349842     -0.657948    0.00   0.000074984  -0.000012289   0.000064708
 H     -3.420369     -1.118023     -1.799594    0.00   0.000046659  -0.000010641   0.000054692
 H     -1.770331     -1.763625     -1.915135    0.00   0.000036739   0.000033304   0.000094808
 H      1.071366     -2.550394      0.844610    0.00  -0.000002177   0.000004685  -0.000024678
 O     -0.253952     -0.165161      1.501672    0.00   0.000291193   0.000105193   0.000819327
 O      1.633893     -1.787487     -1.388810    0.00  -0.000032336  -0.000553892  -0.000568428
 C      2.338683     -2.504052     -0.712219    0.00  -0.000071100  -0.000123744  -0.000291531
 H      3.310188     -2.935830     -0.959460    0.00  -0.000010699  -0.000001285  -0.000015693
 O      1.995415     -2.886606      0.538291    0.00  -0.000106775   0.000131232  -0.000295468
26
 Energy =      -0.316016037003
 C     -0.416554      2.176409      0.758378    0.00  -0.000347561   0.000040969  -0.000061030
 C     -1.522876      2.164581     -0.298652    0.00  -0.000381791  -0.000027129  -0.000533773
 C     -1.553115      0.854743     -1.090938    0.00  -0.000313402   0.000066558  -0.000081528
 C     -2.058904     -0.345063     -0.270822    0.00   0.000160432  -0.000040730   0.000158133
 C     -0.961371     -0.932701      0.600198    0.00   0.000063797   0.000039810   0.000181486
 C     -0.668060      1.176509      1.877444    0.00   0.000266835   0.000199465   0.000196487
 H     -2.206147      0.984468     -1.978671    0.00  -0.000034022   0.000004660  -0.000010323
 H     -2.507727      2.355721      0.170412    0.00  -0.000019538  -0.000008856  -0.000102058
 H     -1.363916      3.008369     -1.001643    0.00  -0.000092763  -0.000010919  -0.000041879
 H      0.564148      1.954590      0.283444    0.00  -0.000042036   0.000005299   0.000043183
 H     -0.315890      3.193402      1.187839    0.00  -0.000044503   0.000003683  -0.000023394
 H     -2.893616     -0.017350      0.400699    0.00   0.000017483  -0.000030563  -0.000021489
 H     -1.718529      1.147690      2.210396    0.00   0.000031798   0.000027788  -0.000027126
 H     -0.001949      1.346898      2.748491    0.00   0.000046785   0.000030749   0.000036052
 H     -0.546677      0.629153     -1.504633    0.00  -0.000038678   0.000019417   0.000021553
 O     -0.618724     -2.100635      0.609983    0.00   0.000031159   0.000057575  -0.000231570
 C     -2.569793     -1.446539     -1.204205    0.00   0.000452820   0.000048984   0.000672351
 H     -2.866456     -2.344372     -0.644283    0.00   0.000073657  -0.000012121   0.000061480
 H     -3.432229     -1.113546     -1.789512    0.00   0.000044445  -0.000010260   0.000051368
 H     -1.786889     -1.770620     -1.906812    0.00   0.000035558   0.000031212   0.000092577
 H      1.073629     -2.549178      0.839716    0.00  -0.000002071   0.000005739  -0.000023843
 O     -0.262749     -0.167207      1.509534    0.00   0.000281185   0.000108127   0.000789692
 O      1.642539     -1.780768     -1.390159    0.00  -0.000022565  -0.000552740  -0.000556160
 C      2.343770     -2.501921     -0.714767    0.00  -0.000059688  -0.000129873  -0.000286498
 H      3.314164     -2.936324     -0.961775    0.00  -0.000009415  -0.000002989  -0.000015806
 O      1.997195     -2.887054      0.534062    0.00  -0.000097918   0.000136144  -0.000287885
26
 Energy =      -0.316139730145
 C     -0.412200      2.171488      0.756803    0.00  -0.000347371   0.000041290  -0.000064133
 C     -1.512947      2.162990     -0.306127    0.00  -0.000378579  -0.000025730  -0.000512007
 C     -1.549388      0.850074     -1.093120    0.00  -0.000303313   0.000068557  -0.000073962
 C     -2.061724     -0.343489     -0.267779    0.00   0.000155601  -0.000035230   0.000153417
 C     -0.964521     -0.933146      0.602287    0.00   0.000065500   0.000041875   0.000182138
 C     -0.675225      1.176953      1.878108    0.00   0.000248928   0.000188181   0.000177926
 H     -2.201211      0.979401     -1.981760    0.00  -0.000032503   0.000004725  -0.000009321
 H     -2.498768      2.363570      0.156947    0.00  -0.000020875  -0.000009310  -0.000098554
 H     -1.343928      3.002473     -1.011943    0.00  -0.000090548  -0.000010076  -0.000038874
 H      0.569612      1.942050      0.287743    0.00  -0.000040761   0.000006214   0.000041773
 H     -0.307545      3.189366      1.183194    0.00  -0.000044875   0.000003810  -0.000023219
 H     -2.892695     -0.007760      0.404382    0.00   0.000016504  -0.000028568  -0.000021173
 H     -1.728074      1.152862      2.203766    0.00   0.000029765   0.000025384  -0.000027219
 H     -0.014718      1.348281      2.753174    0.00   0.000043962   0.000029089   0.000032874
 H     -0.543866      0.617657     -1.505347    0.00  -0.000036886   0.000019625   0.000021585
 O     -0.617908     -2.099841      0.607025    0.00   0.000039471   0.000059725  -0.000199797
 C     -2.582190     -1.445384     -1.195108    0.00   0.000435767   0.000046194   0.000645071
 H     -2.883566     -2.338767     -0.630690    0.00   0.000072199  -0.000011936   0.000058182
 H     -3.443835     -1.109022     -1.779712    0.00   0.000042198  -0.000009861   0.000048133
 H     -1.803292     -1.777654     -1.898316    0.00   0.000034414   0.000029180   0.000090232
 H      1.075704     -2.548097      0.834665    0.00  -0.000001991   0.000006770  -0.000022978
 O     -0.271559     -0.169297      1.517293    0.00   0.000270668   0.000110363   0.000759076
 O      1.651273     -1.773789     -1.391429    0.00  -0.000012042  -0.000550672  -0.000542319
 C      2.348917     -2.499532     -0.717256    0.00  -0.000047964  -0.000135715  -0.000280830
 H      3.318291     -2.936382     -0.963944    0.00  -0.000008099  -0.000004667  -0.000015893
 O      1.998855     -2.887498      0.529747    0.00  -0.000089169   0.000140784  -0.000280130
26
 Energy =      -0.316259241629
 C     -0.407678      2.166422      0.755117    0.00  -0.000346524   0.000041457  -0.000067108
 C     -1.502947      2.161220     -0.313540    0.00  -0.000374583  -0.000024181  -0.000490221
 C     -1.545756      0.845321     -1.095289    0.00  -0.000293187   0.000070188  -0.000066754
 C     -2.064604     -0.341956     -0.264776    0.00   0.000150465  -0.000029961   0.000148477
 C     -0.967814     -0.933632      0.604437    0.00   0.000066748   0.000043807   0.000182195
 C     -0.682105      1.177392      1.878663    0.00   0.000230975   0.000176915   0.000159716
 H     -2.196436      0.974315     -1.984773    0.00  -0.000031013   0.000004760  -0.000008377
 H     -2.489569      2.371220      0.143643    0.00  -0.000022107  -0.000009697  -0.000094987
 H     -1.323980      2.996327     -1.022115    0.00  -0.000088205  -0.000009212  -0.000035934
 H      0.575088      1.929303      0.291834    0.00  -0.000039431   0.000007067   0.000040320
 H     -0.298888      3.185159      1.178402    0.00  -0.000045162   0.000003951  -0.000022981
 H     -2.891858      0.001732      0.407906    0.00   0.000015500  -0.000026628  -0.000020841
 H     -1.737209      1.158144      2.197197    0.00   0.000027722   0.000023039  -0.000027269
 H     -0.027036      1.349662      2.757567    0.00   0.000041135   0.000027422   0.000029787
 H     -0.541229      0.606051     -1.506112    0.00  -0.000035085   0.000019751   0.000021580
 O     -0.617395     -2.099099      0.604307    0.00   0.000046718   0.000062083  -0.000168712
 C     -2.594501     -1.444203     -1.186079    0.00   0.000418459   0.000043685   0.000617565
 H     -2.900727     -2.333032     -0.617184    0.00   0.000070611  -0.000011732   0.000054832
 H     -3.455187     -1.104462     -1.770198    0.00   0.000039931  -0.000009452   0.000045002
 H     -1.819535     -1.784723     -1.889662    0.00   0.000033313   0.000027214   0.000087784
 H      1.077583     -2.547166      0.829456    0.00  -0.000001937   0.000007766  -0.000022093
 O     -0.280367     -0.171432      1.524942    0.00   0.000259644   0.000111903   0.000727595
 O      1.660080     -1.766539     -1.392603    0.00  -0.000000740  -0.000547722  -0.000526893
 C      2.354115     -2.496869     -0.719680    0.00  -0.000035936  -0.000141220  -0.000274532
 H      3.322573     -2.935973     -0.965964    0.00  -0.000006750  -0.000006305  -0.000015944
 O      2.000390     -2.887942      0.525341    0.00  -0.000080558   0.000145102  -0.000272207
26
 Energy =      -0.316374542787
 C     -0.402981      2.161211      0.753317    0.00  -0.000345021   0.000041486  -0.000069935
 C     -1.492880      2.159272     -0.320890    0.00  -0.000369853  -0.000022491  -0.000468511
 C     -1.542214      0.840482     -1.097444    0.00  -0.000283075   0.000071448  -0.000059935
 C     -2.067538     -0.340468     -0.261818    0.00   0.000145039  -0.000024950   0.000143329
 C     -0.971248     -0.934163      0.606646    0.00   0.000067521   0.000045599   0.000181641
 C     -0.688686      1.177821      1.879106    0.00   0.000213027   0.000165734   0.000141925
 H     -2.191821      0.969212     -1.987711    0.00  -0.000029561   0.000004766  -0.000007491
 H     -2.480135      2.378663      0.130509    0.00  -0.000023232  -0.000010018  -0.000091375
 H     -1.304085      2.989934     -1.032159    0.00  -0.000085749  -0.000008333  -0.000033076
 H      0.580582      1.916353      0.295704    0.00  -0.000038057   0.000007852   0.000038835
 H     -0.289912      3.180778      1.173460    0.00  -0.000045360   0.000004107  -0.000022690
 H     -2.891103      0.011121      0.411271    0.00   0.000014473  -0.000024745  -0.000020494
 H     -1.745920      1.163530      2.190695    0.00   0.000025668   0.000020761  -0.000027274
 H     -0.038878      1.351036      2.761667    0.00   0.000038314   0.000025757   0.000026800
 H     -0.538763      0.594338     -1.506928    0.00  -0.000033285   0.000019796   0.000021537
 O     -0.617194     -2.098423      0.601831    0.00   0.000052864   0.000064635  -0.000138530
 C     -2.606722     -1.443002     -1.177126    0.00   0.000400977   0.000041448   0.000589957
 H     -2.917927     -2.327173     -0.603776    0.00   0.000068901  -0.000011514   0.000051452
 H     -3.466289     -1.099872     -1.760974    0.00   0.000037660  -0.000009039   0.000041989
 H     -1.835617     -1.791817     -1.880864    0.00   0.000032258   0.000025321   0.000085243
 H      1.079255     -2.546398      0.824092    0.00  -0.000001908   0.000008720  -0.000021194
 O     -0.289160     -0.173612      1.532471    0.00   0.000248132   0.000112767   0.000695376
 O      1.668939     -1.759000     -1.393664    0.00   0.000011372  -0.000543924  -0.000509898
 C      2.359355     -2.493914     -0.722028    0.00  -0.000023637  -0.000146351  -0.000267572
 H      3.327006     -2.935064     -0.967826    0.00  -0.000005371  -0.000007888  -0.000015954
 O      2.001795     -2.888382      0.520847    0.00  -0.000072099   0.000149056  -0.000264156
26
 Energy =      -0.316485622641
 C     -0.398105      2.155855      0.751398    0.00  -0.000342884   0.000041382  -0.000072596
 C     -1.482751      2.157143     -0.328177    0.00  -0.000364435  -0.000020676  -0.000446967
 C     -1.538761      0.835557     -1.099588    0.00  -0.000273036   0.000072345  -0.000053533
 C     -2.070522     -0.339028     -0.258906    0.00   0.000139333  -0.000020217   0.000137990
 C     -0.974817     -0.934744      0.608912    0.00   0.000067796   0.000047239   0.000180471
 C     -0.694953      1.178235      1.879432    0.00   0.000195137   0.000154698   0.000124607
 H     -2.187358      0.964091     -1.990578    0.00  -0.000028152   0.000004745  -0.000006667
 H     -2.470472      2.385889      0.117551    0.00  -0.000024246  -0.000010269  -0.000087729
 H     -1.284258      2.983294     -1.042079    0.00  -0.000083191  -0.000007447  -0.000030314
 H      0.586096      1.903204      0.299343    0.00  -0.000036645   0.000008567   0.000037317
 H     -0.280616      3.176219      1.168365    0.00  -0.000045468   0.000004280  -0.000022345
 H     -2.890425      0.020400      0.414480    0.00   0.000013426  -0.000022930  -0.000020135
 H     -1.754192      1.169012      2.184260    0.00   0.000023613   0.000018565  -0.000027234
 H     -0.050225      1.352394      2.765472    0.00   0.000035507   0.000024103   0.000023926
 H     -0.536462      0.582516     -1.507791    0.00  -0.000031493   0.000019761   0.000021455
 O     -0.617311     -2.097826      0.599604    0.00   0.000057899   0.000067352  -0.000109460
 C     -2.618847     -1.441782     -1.168259    0.00   0.000383406   0.000039456   0.000562379
 H     -2.935148     -2.321198     -0.590481    0.00   0.000067074  -0.000011281   0.000048063
 H     -3.477139     -1.095265     -1.752041    0.00   0.000035398  -0.000008625   0.000039103
 H     -1.851535     -1.798932     -1.871937    0.00   0.000031249   0.000023506   0.000082617
 H      1.080709     -2.545805      0.818575    0.00  -0.000001905   0.000009616  -0.000020286
 O     -0.297919     -0.175837      1.539869    0.00   0.000236157   0.000112997   0.000662558
 O      1.677825     -1.751157     -1.394593    0.00   0.000024297  -0.000539326  -0.000491358
 C      2.364626     -2.490650     -0.724294    0.00  -0.000011069  -0.000151049  -0.000259946
 H      3.331588     -2.933622     -0.969530    0.00  -0.000003961  -0.000009399  -0.000015912
 O      2.003062     -2.888821      0.516261    0.00  -0.000063808   0.000152608  -0.000256003
26
 Energy =      -0.316592488189
 C     -0.393045      2.150351      0.749355    0.00  -0.000340133   0.000041157  -0.000075082
 C     -1.472563      2.154831     -0.335402    0.00  -0.000358394  -0.000018748  -0.000425685
 C     -1.535392      0.830545     -1.101719    0.00  -0.000263122   0.000072888  -0.000047563
 C     -2.073549     -0.337639     -0.256043    0.00   0.000133369  -0.000015773   0.000132476
 C     -0.978515     -0.935383      0.611229    0.00   0.000067568   0.000048734   0.000178675
 C     -0.700890      1.178630      1.879640    0.00   0.000177359   0.000143869   0.000107833
 H     -2.183042      0.958950     -1.993377    0.00  -0.000026795   0.000004697  -0.000005906
 H     -2.460583      2.392889      0.104776    0.00  -0.000025144  -0.000010450  -0.000084065
 H     -1.264513      2.976410     -1.051877    0.00  -0.000080545  -0.000006560  -0.000027660
 H      0.591634      1.889862      0.302740    0.00  -0.000035205   0.000009208   0.000035772
 H     -0.270996      3.171480      1.163116    0.00  -0.000045485   0.000004466  -0.000021950
 H     -2.889818      0.029564      0.417530    0.00   0.000012362  -0.000021187  -0.000019767
 H     -1.762012      1.174583      2.177898    0.00   0.000021564   0.000016454  -0.000027147
 H     -0.061050      1.353730      2.768979    0.00   0.000032722   0.000022469   0.000021171
 H     -0.534323      0.570595     -1.508701    0.00  -0.000029720   0.000019650   0.000021331
 O     -0.617750     -2.097321      0.597628    0.00   0.000061817   0.000070200  -0.000081685
 C     -2.630873     -1.440548     -1.159484    0.00   0.000365821   0.000037692   0.000534947
 H     -2.952374     -2.315114     -0.577312    0.00   0.000065137  -0.000011036   0.000044688
 H     -3.487742     -1.090648     -1.743397    0.00   0.000033159  -0.000008215   0.000036352
 H     -1.867288     -1.806061     -1.862901    0.00   0.000030286   0.000021777   0.000079917
 H      1.081936     -2.545400      0.812912    0.00  -0.000001924   0.000010450  -0.000019377
 O     -0.306627     -0.178109      1.547125    0.00   0.000223736   0.000112613   0.000629287
 O      1.686713     -1.742991     -1.395369    0.00   0.000038048  -0.000533974  -0.000471324
 C      2.369914     -2.487058     -0.726467    0.00   0.000001732  -0.000155270  -0.000251642
 H      3.336309     -2.931616     -0.971069    0.00  -0.000002522  -0.000010820  -0.000015813
 O      2.004187     -2.889259      0.511585    0.00  -0.000055692   0.000155712  -0.000247782
26
 Energy =      -0.316695164864
 C     -0.387795      2.144699      0.747183    0.00  -0.000336804   0.000040823  -0.000077395
 C     -1.462320      2.152334     -0.342563    0.00  -0.000351794  -0.000016727  -0.000404747
 C     -1.532103      0.825448     -1.103841    0.00  -0.000253391   0.000073091  -0.000042053
 C     -2.076613     -0.336307     -0.253234    0.00   0.000127162  -0.000011634   0.000126810
 C     -0.982336     -0.936084      0.613591    0.00   0.000066827   0.000050075   0.000176263
 C     -0.706477      1.178999      1.879724    0.00   0.000159744   0.000133303   0.000091658
 H     -2.178865      0.953791     -1.996112    0.00  -0.000025491   0.000004625  -0.000005209
 H     -2.450477      2.399654      0.092193    0.00  -0.000025926  -0.000010563  -0.000080401
 H     -1.244867      2.969285     -1.061556    0.00  -0.000077825  -0.000005676  -0.000025127
 H      0.597202      1.876333      0.305883    0.00  -0.000033749   0.000009773   0.000034204
 H     -0.261051      3.166557      1.157710    0.00  -0.000045407   0.000004665  -0.000021506
 H     -2.889275      0.038605      0.420424    0.00   0.000011287  -0.000019522  -0.000019391
 H     -1.769360      1.180231      2.171609    0.00   0.000019528   0.000014437  -0.000027009
 H     -0.071330      1.355034      2.772183    0.00   0.000029971   0.000020861   0.000018543
 H     -0.532337      0.558573     -1.509654    0.00  -0.000027977   0.000019462   0.000021165
 O     -0.618516     -2.096922      0.595905    0.00   0.000064630   0.000073145  -0.000055375
 C     -2.642792     -1.439302     -1.150813    0.00   0.000348296   0.000036124   0.000507778
 H     -2.969587     -2.308928     -0.564285    0.00   0.000063097  -0.000010777   0.000041349
 H     -3.498099     -1.086031     -1.735044    0.00   0.000030956  -0.000007813   0.000033744
 H     -1.882872     -1.813195     -1.853772    0.00   0.000029366   0.000020136   0.000077152
 H      1.082927     -2.545195      0.807111    0.00  -0.000001964   0.000011207  -0.000018473
 O     -0.315263     -0.180429      1.554226    0.00   0.000210907   0.000111661   0.000595722
 O      1.695571     -1.734485     -1.395966    0.00   0.000052611  -0.000527919  -0.000449859
 C      2.375200     -2.483119     -0.728537    0.00   0.000014750  -0.000158961  -0.000242671
 H      3.341158     -2.929011     -0.972443    0.00  -0.000001053  -0.000012138  -0.000015649
 O      2.005161     -2.889693      0.506821    0.00  -0.000047751   0.000158338  -0.000239525
26
 Energy =      -0.316793697176
 C     -0.382352      2.138900      0.744880    0.00  -0.000332937   0.000040390  -0.000079521
 C     -1.452027      2.149652     -0.349662    0.00  -0.000344703  -0.000014629  -0.000384244
 C     -1.528888      0.820262     -1.105954    0.00  -0.000243898   0.000072974  -0.000037007
 C     -2.079705     -0.335035     -0.250482    0.00   0.000120726  -0.000007816   0.000121014
 C     -0.986271     -0.936856      0.615993    0.00   0.000065583   0.000051266   0.000173246
 C     -0.711699      1.179334      1.879681    0.00   0.000142352   0.000123052   0.000076131
 H     -2.174817      0.948610     -1.998787    0.00  -0.000024249   0.000004533  -0.000004575
 H     -2.440160      2.406173      0.079808    0.00  -0.000026589  -0.000010606  -0.000076748
 H     -1.225334      2.961924     -1.071120    0.00  -0.000075046  -0.000004806  -0.000022728
 H      0.602805      1.862626      0.308761    0.00  -0.000032285   0.000010260   0.000032617
 H     -0.250785      3.161446      1.152148    0.00  -0.000045236   0.000004875  -0.000021019
 H     -2.888790      0.047516      0.423163    0.00   0.000010202  -0.000017941  -0.000019007
 H     -1.776223      1.185945      2.165397    0.00   0.000017516   0.000012520  -0.000026821
 H     -0.081040      1.356294      2.775082    0.00   0.000027258   0.000019291   0.000016050
 H     -0.530498      0.546455     -1.510649    0.00  -0.000026271   0.000019204   0.000020954
 O     -0.619611     -2.096645      0.594433    0.00   0.000066363   0.000076146  -0.000030667
 C     -2.654598     -1.438047     -1.142254    0.00   0.000330895   0.000034739   0.000480979
 H     -2.986764     -2.302654     -0.551413    0.00   0.000060963  -0.000010508   0.000038070
 H     -3.508214     -1.081422     -1.726978    0.00   0.000028806  -0.000007420   0.000031281
 H     -1.898286     -1.820324     -1.844573    0.00   0.000028485   0.000018586   0.000074332
 H      1.083673     -2.545199      0.801187    0.00  -0.000002024   0.000011879  -0.000017583
 O     -0.323806     -0.182801      1.561160    0.00   0.000197701   0.000110181   0.000562023
 O      1.704364     -1.725616     -1.396359    0.00   0.000067964  -0.000521222  -0.000427046
 C      2.380465     -2.478813     -0.730493    0.00   0.000027958  -0.000162071  -0.000233045
 H      3.346119     -2.925775     -0.973650    0.00   0.000000443  -0.000013334  -0.000015416
 O      2.005979     -2.890125      0.501971    0.00  -0.000039976   0.000160458  -0.000231271
26
 Energy =      -0.316888149499
 C     -0.376710      2.132952      0.742440    0.00  -0.000328573   0.000039867  -0.000081472
 C     -1.441691      2.146782     -0.356699    0.00  -0.000337204  -0.000012474  -0.000364257
 C     -1.525743      0.814989     -1.108059    0.00  -0.000234690   0.000072552  -0.000032443
 C     -2.082817     -0.333828     -0.247790    0.00   0.000114095  -0.000004305   0.000115112
 C     -0.990308     -0.937704      0.618428    0.00   0.000063834   0.000052291   0.000169648
 C     -0.716538      1.179628      1.879506    0.00   0.000125232   0.000113161   0.000061309
 H     -2.170889      0.943405     -2.001408    0.00  -0.000023072   0.000004421  -0.000004005
 H     -2.429640      2.412435      0.067628    0.00  -0.000027133  -0.000010584  -0.000073120
 H     -1.205930      2.954331     -1.080571    0.00  -0.000072223  -0.000003954  -0.000020472
 H      0.608448      1.848751      0.311362    0.00  -0.000030833   0.000010671   0.000031015
 H     -0.240195      3.156145      1.146428    0.00  -0.000044973   0.000005093  -0.000020493
 H     -2.888349      0.056288      0.425748    0.00   0.000009116  -0.000016446  -0.000018618
 H     -1.782581      1.191710      2.159263    0.00   0.000015536   0.000010709  -0.000026582
 H     -0.090154      1.357499      2.777671    0.00   0.000024598   0.000017762   0.000013697
 H     -0.528796      0.534249     -1.511683    0.00  -0.000024616   0.000018879   0.000020699
 O     -0.621035     -2.096505      0.593215    0.00   0.000067055   0.000079161  -0.000007675
 C     -2.666282     -1.436791     -1.133818    0.00   0.000313688   0.000033497   0.000454653
 H     -3.003884     -2.296302     -0.538712    0.00   0.000058743  -0.000010228   0.000034872
 H     -3.518090     -1.076833     -1.719196    0.00   0.000026714  -0.000007040   0.000028966
 H     -1.913526     -1.827442     -1.835326    0.00   0.000027634   0.000017130   0.000071468
 H      1.084164     -2.545421      0.795152    0.00  -0.000002095   0.000012458  -0.000016711
 O     -0.332230     -0.185227      1.567911    0.00   0.000184160   0.000108226   0.000528364
 O      1.713052     -1.716361     -1.396516    0.00   0.000084063  -0.000513945  -0.000402990
 C      2.385684     -2.474120     -0.732323    0.00   0.000041337  -0.000164552  -0.000222795
 H      3.351169     -2.921875     -0.974691    0.00   0.000001966  -0.000014395  -0.000015105
 O      2.006633     -2.890551      0.497039    0.00  -0.000032357   0.000162045  -0.000223063
26
 Energy =      -0.316978607115
 C     -0.370868      2.126858      0.739858    0.00  -0.000323774   0.000039275  -0.000083245
 C     -1.431314      2.143723     -0.363674    0.00  -0.000329378  -0.000010293  -0.000344857
 C     -1.522659      0.809628     -1.110160    0.00  -0.000225827   0.000071849  -0.000028370
 C     -2.085936     -0.332693     -0.245164    0.00   0.000107268  -0.000001138   0.000109132
 C     -0.994434     -0.938637      0.620887    0.00   0.000061603   0.000053172   0.000165513
 C     -0.720974      1.179871      1.879193    0.00   0.000108442   0.000103664   0.000047227
 H     -2.167072      0.938175     -2.003978    0.00  -0.000021960   0.000004297  -0.000003496
 H     -2.418927      2.418427      0.055662    0.00  -0.000027554  -0.000010497  -0.000069533
 H     -1.186676      2.946510     -1.089913    0.00  -0.000069371  -0.000003128  -0.000018374
 H      0.614136      1.834719      0.313673    0.00  -0.000029398   0.000011001   0.000029401
 H     -0.229288      3.150652      1.140550    0.00  -0.000044618   0.000005315  -0.000019938
 H     -2.887944      0.064913      0.428178    0.00   0.000008033  -0.000015038  -0.000018225
 H     -1.788415      1.197510      2.153213    0.00   0.000013599   0.000009011  -0.000026290
 H     -0.098646      1.358636      2.779946    0.00   0.000021995   0.000016284   0.000011489
 H     -0.527222      0.521960     -1.512754    0.00  -0.000023023   0.000018491   0.000020398
 O     -0.622788     -2.096516      0.592244    0.00   0.000066764   0.000082142   0.000013518
 C     -2.677835     -1.435535     -1.125516    0.00   0.000296721   0.000032390   0.000428894
 H     -3.020920     -2.289885     -0.526199    0.00   0.000056449  -0.000009940   0.000031781
 H     -3.527727     -1.072272     -1.711693    0.00   0.000024701  -0.000006673   0.000026799
 H     -1.928588     -1.834536     -1.826055    0.00   0.000026808   0.000015769   0.000068566
 H      1.084395     -2.545866      0.789026    0.00  -0.000002182   0.000012936  -0.000015864
 O     -0.340511     -0.187709      1.574465    0.00   0.000170350   0.000105849   0.000494910
 O      1.721589     -1.706701     -1.396407    0.00   0.000100855  -0.000506155  -0.000377807
 C      2.390828     -2.469021     -0.734014    0.00   0.000054850  -0.000166370  -0.000211964
 H      3.356282     -2.917286     -0.975571    0.00   0.000003512  -0.000015307  -0.000014721
 O      2.007115     -2.890968      0.492029    0.00  -0.000024865   0.000163094  -0.000214942
26
 Energy =      -0.317065177385
 C     -0.364822      2.120618      0.737130    0.00  -0.000318594   0.000038614  -0.000084857
 C     -1.420904      2.140475     -0.370587    0.00  -0.000321309  -0.000008101  -0.000326129
 C     -1.519628      0.804179     -1.112256    0.00  -0.000217355   0.000070892  -0.000024780
 C     -2.089052     -0.331635     -0.242608    0.00   0.000100298   0.000001719   0.000103099
 C     -0.998637     -0.939663      0.623360    0.00   0.000058906   0.000053890   0.000160879
 C     -0.724987      1.180053      1.878740    0.00   0.000092046   0.000094609   0.000033933
 H     -2.163350      0.932916     -2.006505    0.00  -0.000020922   0.000004159  -0.000003050
 H     -2.408031      2.424136      0.043916    0.00  -0.000027854  -0.000010350  -0.000065999
 H     -1.167588      2.938472     -1.099147    0.00  -0.000066506  -0.000002334  -0.000016440
 H      0.619874      1.820543      0.315684    0.00  -0.000028005   0.000011258   0.000027777
 H     -0.218070      3.144966      1.134515    0.00  -0.000044174   0.000005534  -0.000019361
 H     -2.887561      0.073379      0.430456    0.00   0.000006962  -0.000013722  -0.000017825
 H     -1.793709      1.203326      2.147248    0.00   0.000011715   0.000007425  -0.000025947
 H     -0.106491      1.359691      2.781905    0.00   0.000019460   0.000014862   0.000009429
 H     -0.525762      0.509594     -1.513859    0.00  -0.000021499   0.000018045   0.000020047
 O     -0.624862     -2.096694      0.591517    0.00   0.000065554   0.000085046   0.000032861
 C     -2.689247     -1.434285     -1.117357    0.00   0.000280062   0.000031377   0.000403794
 H     -3.037841     -2.283421     -0.513891    0.00   0.000054092  -0.000009639   0.000028817
 H     -3.537128     -1.067749     -1.704464    0.00   0.000022769  -0.000006320   0.000024776
 H     -1.943464     -1.841597     -1.816788    0.00   0.000025995   0.000014505   0.000065638
 H      1.084359     -2.546538      0.782832    0.00  -0.000002273   0.000013309  -0.000015046
 O     -0.348620     -0.190252      1.580805    0.00   0.000156303   0.000103100   0.000461855
 O      1.729926     -1.696610     -1.395998    0.00   0.000118267  -0.000497921  -0.000351642
 C      2.395864     -2.463495     -0.735556    0.00   0.000068478  -0.000167483  -0.000200611
 H      3.361425     -2.911978     -0.976295    0.00   0.000005079  -0.000016060  -0.000014264
 O      2.007420     -2.891372      0.486950    0.00  -0.000017491   0.000163588  -0.000206954
26
 Energy =      -0.317147990953
 C     -0.358569      2.114235      0.734255    0.00  -0.000313108   0.000037895  -0.000086313
 C     -1.410466      2.137037     -0.377438    0.00  -0.000313092  -0.000005925  -0.000308139
 C     -1.516641      0.798642     -1.114353    0.00  -0.000209323   0.000069703  -0.000021672
 C     -2.092148     -0.330661     -0.240128    0.00   0.000093203   0.000004260   0.000097040
 C     -1.002898     -0.940790      0.625838    0.00   0.000055767   0.000054443   0.000155808
 C     -0.728560      1.180164      1.878140    0.00   0.000076098   0.000086008   0.000021449
 H     -2.159713      0.927627     -2.008994    0.00  -0.000019957   0.000004009  -0.000002666
 H     -2.396965      2.429550      0.032400    0.00  -0.000028030  -0.000010145  -0.000062529
 H     -1.148687      2.930223     -1.108274    0.00  -0.000063648  -0.000001580  -0.000014688
 H      0.625668      1.806242      0.317382    0.00  -0.000026661   0.000011437   0.000026149
 H     -0.206549      3.139087      1.128324    0.00  -0.000043645   0.000005751  -0.000018770
 H     -2.887185      0.081675      0.432582    0.00   0.000005911  -0.000012499  -0.000017419
 H     -1.798444      1.209139      2.141372    0.00   0.000009899   0.000005956  -0.000025553
 H     -0.113661      1.360648      2.783540    0.00   0.000016998   0.000013503   0.000007520
 H     -0.524403      0.497162     -1.514996    0.00  -0.000020062   0.000017550   0.000019650
 O     -0.627254     -2.097053      0.591028    0.00   0.000063514   0.000087833   0.000050338
 C     -2.700503     -1.433047     -1.109354    0.00   0.000263753   0.000030450   0.000379433
 H     -3.054615     -2.276926     -0.501808    0.00   0.000051684  -0.000009328   0.000026002
 H     -3.546290     -1.063276     -1.697505    0.00   0.000020931  -0.000005981   0.000022894
 H     -1.958146     -1.848612     -1.807551    0.00   0.000025184   0.000013337   0.000062694
 H      1.084051     -2.547436      0.776600    0.00  -0.000002362   0.000013571  -0.000014258
 O     -0.356526     -0.192860      1.586913    0.00   0.000142100   0.000100047   0.000429379
 O      1.738009     -1.686067     -1.395251    0.00   0.000136204  -0.000489313  -0.000324654
 C      2.400757     -2.457526     -0.736933    0.00   0.000082199  -0.000167871  -0.000188821
 H      3.366556     -2.905929     -0.976874    0.00   0.000006662  -0.000016643  -0.000013735
 O      2.007536     -2.891758      0.481808    0.00  -0.000010218   0.000163532  -0.000199138
26
 Energy =      -0.317227202947
 C     -0.352110      2.107712      0.731228    0.00  -0.000307384   0.000037135  -0.000087634
 C     -1.400011      2.133410     -0.384225    0.00  -0.000304823  -0.000003796  -0.000290960
 C     -1.513691      0.793020     -1.116450    0.00  -0.000201782   0.000068315  -0.000019045
 C     -2.095211     -0.329778     -0.237730    0.00   0.000086020   0.000006486   0.000090989
 C     -1.007201     -0.942025      0.628308    0.00   0.000052225   0.000054841   0.000150372
 C     -0.731671      1.180191      1.877389    0.00   0.000060654   0.000077893   0.000009808
 H     -2.156144      0.922304     -2.011450    0.00  -0.000019072   0.000003855  -0.000002343
 H     -2.385742      2.434655      0.021120    0.00  -0.000028084  -0.000009890  -0.000059136
 H     -1.129996      2.921776     -1.117296    0.00  -0.000060808  -0.000000872  -0.000013119
 H      0.631523      1.791832      0.318758    0.00  -0.000025390   0.000011544   0.000024519
 H     -0.194737      3.133019      1.121983    0.00  -0.000043036   0.000005953  -0.000018176
 H     -2.886804      0.089787      0.434553    0.00   0.000004889  -0.000011367  -0.000017006
 H     -1.802600      1.214925      2.135590    0.00   0.000008155   0.000004610  -0.000025108
 H     -0.120133      1.361493      2.784852    0.00   0.000014627   0.000012211   0.000005763
 H     -0.523129      0.484675     -1.516162    0.00  -0.000018721   0.000017007   0.000019204
 O     -0.629952     -2.097610      0.590770    0.00   0.000060731   0.000090449   0.000065956
 C     -2.711585     -1.431828     -1.101522    0.00   0.000247849   0.000029585   0.000355888
 H     -3.071206     -2.270420     -0.489968    0.00   0.000049239  -0.000009005   0.000023359
 H     -3.555213     -1.058863     -1.690812    0.00   0.000019194  -0.000005657   0.000021146
 H     -1.972620     -1.855569     -1.798376    0.00   0.000024366   0.000012267   0.000059745
 H      1.083469     -2.548559      0.770358    0.00  -0.000002450   0.000013723  -0.000013501
 O     -0.364198     -0.195538      1.592773    0.00   0.000127813   0.000096752   0.000397670
 O      1.745776     -1.675048     -1.394133    0.00   0.000154565  -0.000480405  -0.000297010
 C      2.405463     -2.451096     -0.738136    0.00   0.000095971  -0.000167522  -0.000176683
 H      3.371630     -2.899122     -0.977319    0.00   0.000008259  -0.000017055  -0.000013146
 O      2.007458     -2.892116      0.476615    0.00  -0.000003005   0.000162943  -0.000191553
26
 Energy =      -0.317302993828
 C     -0.345445      2.101054      0.728049    0.00  -0.000301506   0.000036338  -0.000088831
 C     -1.389547      2.129596     -0.390947    0.00  -0.000296601  -0.000001747  -0.000274652
 C     -1.510762      0.787313     -1.118551    0.00  -0.000194780   0.000066755  -0.000016897
 C     -2.098222     -0.328994     -0.235424    0.00   0.000078763   0.000008393   0.000084989
 C     -1.011522     -0.943376      0.630759    0.00   0.000048320   0.000055086   0.000144646
 C     -0.734306      1.180122      1.876485    0.00   0.000045783   0.000070281  -0.000000971
 H     -2.152629      0.916943     -2.013881    0.00  -0.000018263   0.000003699  -0.000002074
 H     -2.374380      2.439436      0.010089    0.00  -0.000028015  -0.000009585  -0.000055835
 H     -1.111539      2.913143     -1.126210    0.00  -0.000058008  -0.000000214  -0.000011745
 H      0.637441      1.777338      0.319803    0.00  -0.000024204   0.000011582   0.000022890
 H     -0.182651      3.126762      1.115495    0.00  -0.000042350   0.000006136  -0.000017589
 H     -2.886397      0.097700      0.436372    0.00   0.000003908  -0.000010327  -0.000016589
 H     -1.806164      1.220660      2.129905    0.00   0.000006501   0.000003382  -0.000024615
 H     -0.125881      1.362206      2.785837    0.00   0.000012346   0.000010991   0.000004158
 H     -0.521923      0.472145     -1.517353    0.00  -0.000017490   0.000016426   0.000018710
 O     -0.632944     -2.098376      0.590733    0.00   0.000057328   0.000092859   0.000079765
 C     -2.722474     -1.430634     -1.093875    0.00   0.000232392   0.000028775   0.000333231
 H     -3.087572     -2.263927     -0.478395    0.00   0.000046775  -0.000008670   0.000020909
 H     -3.563889     -1.054523     -1.684381    0.00   0.000017568  -0.000005343   0.000019527
 H     -1.986868     -1.862457     -1.789296    0.00   0.000023525   0.000011291   0.000056799
 H      1.082611     -2.549899      0.764146    0.00  -0.000002531   0.000013763  -0.000012778
 O     -0.371605     -0.198288      1.598366    0.00   0.000113523   0.000093288   0.000366914
 O      1.753163     -1.663538     -1.392604    0.00   0.000173238  -0.000471259  -0.000268902
 C      2.409939     -2.444194     -0.739152    0.00   0.000109765  -0.000166442  -0.000164325
 H      3.376593     -2.891541     -0.977647    0.00   0.000009863  -0.000017292  -0.000012507
 O      2.007178     -2.892440      0.471383    0.00   0.000004151   0.000161831  -0.000184228
26
 Energy =      -0.317375569682
 C     -0.338578      2.094271      0.724718    0.00  -0.000295555   0.000035517  -0.000089931
 C     -1.379085      2.125600     -0.397599    0.00  -0.000288528   0.000000213  -0.000259284
 C     -1.507846      0.781526     -1.120658    0.00  -0.000188362   0.000065046  -0.000015200
 C     -2.101163     -0.328315     -0.233214    0.00   0.000071521   0.000010040   0.000079048
 C     -1.015841     -0.944850      0.633178    0.00   0.000044076   0.000055157   0.000138724
 C     -0.736445      1.179947      1.875424    0.00   0.000031543   0.000063181  -0.000010881
 H     -2.149150      0.911547     -2.016293    0.00  -0.000017539   0.000003541  -0.000001867
 H     -2.362897      2.443880     -0.000687    0.00  -0.000027829  -0.000009242  -0.000052633
 H     -1.093340      2.904340     -1.135016    0.00  -0.000055265   0.000000385  -0.000010572
 H      0.643427      1.762786      0.320508    0.00  -0.000023123   0.000011553   0.000021270
 H     -0.170310      3.120325      1.108869    0.00  -0.000041593   0.000006293  -0.000017019
 H     -2.885952      0.105398      0.438037    0.00   0.000002977  -0.000009381  -0.000016156
 H     -1.809117      1.226317      2.124321    0.00   0.000004948   0.000002272  -0.000024077
 H     -0.130887      1.362775      2.786494    0.00   0.000010170   0.000009851   0.000002704
 H     -0.520765      0.459590     -1.518565    0.00  -0.000016380   0.000015812   0.000018166
 O     -0.636213     -2.099364      0.590908    0.00   0.000053405   0.000095026   0.000091839
 C     -2.733147     -1.429474     -1.086430    0.00   0.000217437   0.000027989   0.000311528
 H     -3.103670     -2.257469     -0.467110    0.00   0.000044305  -0.000008316   0.000018659
 H     -3.572309     -1.050268     -1.678210    0.00   0.000016048  -0.000005042   0.000018026
 H     -2.000870     -1.869261     -1.780345    0.00   0.000022655   0.000010414   0.000053875
 H      1.081478     -2.551444      0.758002    0.00  -0.000002597   0.000013700  -0.000012082
 O     -0.378709     -0.201115      1.603676    0.00   0.000099304   0.000089710   0.000337314
 O      1.760101     -1.651523     -1.390631    0.00   0.000192086  -0.000461944  -0.000240523
 C      2.414134     -2.436809     -0.739972    0.00   0.000123550  -0.000164647  -0.000151876
 H      3.381387     -2.883183     -0.977878    0.00   0.000011471  -0.000017360  -0.000011835
 O      2.006689     -2.892718      0.466125    0.00   0.000011275   0.000160233  -0.000177217
26
 Energy =      -0.317445161698
 C     -0.331515      2.087371      0.721237    0.00  -0.000289621   0.000034679  -0.000090937
 C     -1.368637      2.121424     -0.404180    0.00  -0.000280704   0.000002033  -0.000244903
 C     -1.504928      0.775661     -1.122771    0.00  -0.000182569   0.000063233  -0.000013957
 C     -2.104013     -0.327749     -0.231109    0.00   0.000064274   0.000011381   0.000073227
 C     -1.020134     -0.946452      0.635551    0.00   0.000039570   0.000055090   0.000132691
 C     -0.738078      1.179654      1.874205    0.00   0.000017986   0.000056595  -0.000019905
 H     -2.145688      0.906110     -2.018694    0.00  -0.000016895   0.000003389  -0.000001713
 H     -2.351316      2.447971     -0.011196    0.00  -0.000027527  -0.000008865  -0.000049549
 H     -1.075428      2.895387     -1.143707    0.00  -0.000052600   0.000000918  -0.000009601
 H      0.649483      1.748205      0.320868    0.00  -0.000022158   0.000011465   0.000019661
 H     -0.157739      3.113717      1.102116    0.00  -0.000040775   0.000006419  -0.000016479
 H     -2.885449      0.112865      0.439544    0.00   0.000002107  -0.000008526  -0.000015717
 H     -1.811453      1.231869      2.118848    0.00   0.000003501   0.000001283  -0.000023497
 H     -0.135134      1.363181      2.786824    0.00   0.000008107   0.000008789   0.000001395
 H     -0.519635      0.447029     -1.519792    0.00  -0.000015409   0.000015171   0.000017576
 O     -0.639740     -2.100585      0.591285    0.00   0.000049100   0.000096910   0.000102285
 C     -2.743579     -1.428355     -1.079203    0.00   0.000203021   0.000027249   0.000290831
 H     -3.119451     -2.251074     -0.456141    0.00   0.000041848  -0.000007949   0.000016635
 H     -3.580463     -1.046112     -1.672299    0.00   0.000014650  -0.000004752   0.000016637
 H     -2.014598     -1.875970     -1.771558    0.00   0.000021742   0.000009625   0.000050979
 H      1.080076     -2.553180      0.751972    0.00  -0.000002656   0.000013535  -0.000011412
 O     -0.385480     -0.204023      1.608685    0.00   0.000085278   0.000086104   0.000309029
 O      1.766519     -1.638994     -1.388181    0.00   0.000210985  -0.000452511  -0.000212091
 C      2.417998     -2.428937     -0.740588    0.00   0.000137286  -0.000162180  -0.000139482
 H      3.385949     -2.874047     -0.978037    0.00   0.000013081  -0.000017265  -0.000011147
 O      2.005987     -2.892938      0.460860    0.00   0.000018377   0.000158183  -0.000170556
26
 Energy =      -0.317512024349
 C     -0.324265      2.080366      0.717613    0.00  -0.000283790   0.000033829  -0.000091871
 C     -1.358217      2.117078     -0.410683    0.00  -0.000273230   0.000003696  -0.000231559
 C     -1.501996      0.769730     -1.124893    0.00  -0.000177449   0.000061330  -0.000013131
 C     -2.106750     -0.327303     -0.229117    0.00   0.000057107   0.000012471   0.000067532
 C     -1.024373     -0.948187      0.637868    0.00   0.000034844   0.000054871   0.000126644
 C     -0.739194      1.179233      1.872830    0.00   0.000005185   0.000050529  -0.000028068
 H     -2.142222      0.900634     -2.021089    0.00  -0.000016339   0.000003240  -0.000001617
 H     -2.339663      2.451701     -0.021428    0.00  -0.000027119  -0.000008463  -0.000046592
 H     -1.057830      2.886306     -1.152279    0.00  -0.000050032   0.000001389  -0.000008834
 H      0.655606      1.733630      0.320885    0.00  -0.000021319   0.000011322   0.000018074
 H     -0.144968      3.106950      1.095249    0.00  -0.000039906   0.000006502  -0.000015977
 H     -2.884873      0.120081      0.440894    0.00   0.000001311  -0.000007756  -0.000015267
 H     -1.813165      1.237287      2.113486    0.00   0.000002177   0.000000409  -0.000022886
 H     -0.138613      1.363412      2.786831    0.00   0.000006163   0.000007815   0.000000229
 H     -0.518507      0.434484     -1.521029    0.00  -0.000014580   0.000014510   0.000016943
 O     -0.643499     -2.102044      0.591850    0.00   0.000044522   0.000098487   0.000111237
 C     -2.753737     -1.427286     -1.072213    0.00   0.000189183   0.000026529   0.000271196
 H     -3.134865     -2.244769     -0.445513    0.00   0.000039427  -0.000007565   0.000014835
 H     -3.588336     -1.042066     -1.666648    0.00   0.000013365  -0.000004472   0.000015351
 H     -2.028022     -1.882570     -1.762968    0.00   0.000020783   0.000008931   0.000048132
 H      1.078411     -2.555088      0.746101    0.00  -0.000002696   0.000013281  -0.000010767
 O     -0.391885     -0.207011      1.613381    0.00   0.000071511   0.000082518   0.000282254
 O      1.772346     -1.625956     -1.385226    0.00   0.000229812  -0.000443008  -0.000183822
 C      2.421479     -2.420577     -0.740992    0.00   0.000150932  -0.000159095  -0.000127312
 H      3.390215     -2.864145     -0.978152    0.00   0.000014688  -0.000017021  -0.000010461
 O      2.005068     -2.893085      0.455604    0.00   0.000025451   0.000155722  -0.000164263
26
 Energy =      -0.317576432202
 C     -0.316842      2.073273      0.713850    0.00  -0.000278153   0.000032980  -0.000092753
 C     -1.347841      2.112572     -0.417103    0.00  -0.000266206   0.000005183  -0.000219295
 C     -1.499034      0.763736     -1.127023    0.00  -0.000173034   0.000059366  -0.000012721
 C     -2.109353     -0.326984     -0.227246    0.00   0.000050031   0.000013305   0.000062010
 C     -1.028533     -0.950057      0.640116    0.00   0.000029961   0.000054513   0.000120689
 C     -0.739794      1.178676      1.871299    0.00  -0.000006835   0.000044975  -0.000035367
 H     -2.138730      0.895120     -2.023484    0.00  -0.000015870   0.000003100  -0.000001570
 H     -2.327963      2.455057     -0.031374    0.00  -0.000026617  -0.000008044  -0.000043781
 H     -1.040574      2.877124     -1.160726    0.00  -0.000047582   0.000001786  -0.000008259
 H      0.661797      1.719100      0.320563    0.00  -0.000020620   0.000011131   0.000016518
 H     -0.132031      3.100040      1.088285    0.00  -0.000038993   0.000006540  -0.000015517
 H     -2.884208      0.127031      0.442080    0.00   0.000000592  -0.000007074  -0.000014811
 H     -1.814253      1.242546      2.108244    0.00   0.000000972  -0.000000352  -0.000022246
 H     -0.141324      1.363456      2.786524    0.00   0.000004355   0.000006925  -0.000000801
 H     -0.517357      0.421979     -1.522268    0.00  -0.000013906   0.000013836   0.000016272
 O     -0.647465     -2.103747      0.592591    0.00   0.000039800   0.000099735   0.000118842
 C     -2.763592     -1.426277     -1.065478    0.00   0.000175967   0.000025837   0.000252658
 H     -3.149862     -2.238581     -0.435251    0.00   0.000037059  -0.000007167   0.000013264
 H     -3.595910     -1.038147     -1.661262    0.00   0.000012195  -0.000004201   0.000014157
 H     -2.041107     -1.889046     -1.754615    0.00   0.000019777   0.000008322   0.000045346
 H      1.076494     -2.557147      0.740436    0.00  -0.000002722   0.000012949  -0.000010142
 O     -0.397895     -0.210080      1.617750    0.00   0.000058150   0.000079033   0.000257127
 O      1.777511     -1.612418     -1.381747    0.00   0.000248435  -0.000433477  -0.000155923
 C      2.424528     -2.411740     -0.741187    0.00   0.000164446  -0.000155461  -0.000115531
 H      3.394121     -2.853497     -0.978250    0.00   0.000016292  -0.000016642  -0.000009798
 O      2.003932     -2.893146      0.450377    0.00   0.000032504   0.000152902  -0.000158370
26
 Energy =      -0.317638675122
 C     -0.309262      2.066109      0.709964    0.00  -0.000272789   0.000032135  -0.000093574
 C     -1.337524      2.107917     -0.423434    0.00  -0.000259723   0.000006468  -0.000208139
 C     -1.496029      0.757691     -1.129163    0.00  -0.000169362   0.000057367  -0.000012688
 C     -2.111803     -0.326795     -0.225505    0.00   0.000043105   0.000013906   0.000056671
 C     -1.032589     -0.952061      0.642285    0.00   0.000024984   0.000054034   0.000114919
 C     -0.739880      1.177976      1.869621    0.00  -0.000018005   0.000039928  -0.000041839
 H     -2.135192      0.889570     -2.025888    0.00  -0.000015487   0.000002967  -0.000001573
 H     -2.316248      2.458034     -0.041029    0.00  -0.000026040  -0.000007615  -0.000041129
 H     -1.023685      2.867868     -1.169036    0.00  -0.000045269   0.000002114  -0.000007863
 H      0.668049      1.704651      0.319910    0.00  -0.000020060   0.000010902   0.000015005
 H     -0.118970      3.093007      1.081246    0.00  -0.000038054   0.000006526  -0.000015110
 H     -2.883440      0.133698      0.443101    0.00  -0.000000039  -0.000006473  -0.000014353
 H     -1.814728      1.247621      2.103124    0.00  -0.000000099  -0.000001011  -0.000021590
 H     -0.143277      1.363304      2.785916    0.00   0.000002677   0.000006126  -0.000001705
 H     -0.516159      0.409539     -1.523498    0.00  -0.000013389   0.000013157   0.000015570
 O     -0.651607     -2.105692      0.593495    0.00   0.000035050   0.000100639   0.000125280
 C     -2.773112     -1.425334     -1.059017    0.00   0.000163400   0.000025171   0.000235241
 H     -3.164391     -2.232539     -0.425382    0.00   0.000034767  -0.000006755   0.000011918
 H     -3.603165     -1.034367     -1.656145    0.00   0.000011134  -0.000003941   0.000013048
 H     -2.053816     -1.895390     -1.746527    0.00   0.000018721   0.000007797   0.000042644
 H      1.074341     -2.559334      0.735021    0.00  -0.000002737   0.000012558  -0.000009536
 O     -0.403489     -0.213229      1.621786    0.00   0.000045262   0.000075687   0.000233776
 O      1.781949     -1.598406     -1.377733    0.00   0.000266759  -0.000423926  -0.000128612
 C      2.427101     -2.402442     -0.741172    0.00   0.000177790  -0.000151370  -0.000104294
 H      3.397607     -2.842131     -0.978366    0.00   0.000017896  -0.000016152  -0.000009177
 O      2.002582     -2.893106      0.445195    0.00   0.000039509   0.000149761  -0.000152890
26
 Energy =      -0.317699052189
 C     -0.301546      2.058893      0.705967    0.00  -0.000267778   0.000031290  -0.000094344
 C     -1.327282      2.103128     -0.429668    0.00  -0.000253859   0.000007551  -0.000198100
 C     -1.492966      0.751605     -1.131309    0.00  -0.000166443   0.000055343  -0.000013008
 C     -2.114077     -0.326741     -0.223899    0.00   0.000036370   0.000014325   0.000051523
 C     -1.036518     -0.954195      0.644366    0.00   0.000019970   0.000053419   0.000109398
 C     -0.739466      1.177132      1.867803    0.00  -0.000028315   0.000035367  -0.000047535
 H     -2.131583      0.883986     -2.028306    0.00  -0.000015199   0.000002846  -0.000001624
 H     -2.304546      2.460629     -0.050389    0.00  -0.000025406  -0.000007186  -0.000038652
 H     -1.007182      2.858565     -1.177202    0.00  -0.000043117   0.000002371  -0.000007628
 H      0.674359      1.690322      0.318946    0.00  -0.000019636   0.000010642   0.000013549
 H     -0.105826      3.085873      1.074151    0.00  -0.000037101   0.000006464  -0.000014761
 H     -2.882556      0.140068      0.443953    0.00  -0.000000588  -0.000005948  -0.000013891
 H     -1.814609      1.252488      2.098132    0.00  -0.000001054  -0.000001568  -0.000020929
 H     -0.144493      1.362952      2.785023    0.00   0.000001147   0.000005414  -0.000002489
 H     -0.514887      0.397191     -1.524711    0.00  -0.000013028   0.000012472   0.000014846
 O     -0.655893     -2.107872      0.594550    0.00   0.000030352   0.000101198   0.000130731
 C     -2.782266     -1.424467     -1.052844    0.00   0.000151504   0.000024524   0.000218959
 H     -3.178409     -2.226667     -0.415927    0.00   0.000032569  -0.000006333   0.000010772
 H     -3.610081     -1.030738     -1.651301    0.00   0.000010169  -0.000003692   0.000012017
 H     -2.066110     -1.901591     -1.738734    0.00   0.000017631   0.000007349   0.000040047
 H      1.071968     -2.561622      0.729896    0.00  -0.000002745   0.000012098  -0.000008948
 O     -0.408650     -0.216452      1.625488    0.00   0.000032972   0.000072528   0.000212341
 O      1.785604     -1.583953     -1.373185    0.00   0.000284715  -0.000414398  -0.000102097
 C      2.429157     -2.392703     -0.740955    0.00   0.000190896  -0.000146928  -0.000093715
 H      3.400619     -2.830084     -0.978529    0.00   0.000019497  -0.000015557  -0.000008605
 O      2.001027     -2.892948      0.440077    0.00   0.000046474   0.000146407  -0.000147858
26
 Energy =      -0.317757864546
 C     -0.293715      2.051646      0.701876    0.00  -0.000263195   0.000030457  -0.000095068
 C     -1.317126      2.098220     -0.435800    0.00  -0.000248682   0.000008410  -0.000189178
 C     -1.489828      0.745489     -1.133461    0.00  -0.000164304   0.000053323  -0.000013666
 C     -2.116162     -0.326821     -0.222434    0.00   0.000029822   0.000014532   0.000046609
 C     -1.040300     -0.956456      0.646356    0.00   0.000015008   0.000052734   0.000104229
 C     -0.738571      1.176144      1.865856    0.00  -0.000037733   0.000031288  -0.000052471
 H     -2.127877      0.878370     -2.030744    0.00  -0.000014998   0.000002734  -0.000001719
 H     -2.292886      2.462845     -0.059453    0.00  -0.000024738  -0.000006766  -0.000036366
 H     -0.991081      2.849245     -1.185216    0.00  -0.000041139   0.000002563  -0.000007532
 H      0.680716      1.676152      0.317692    0.00  -0.000019340   0.000010358   0.000012164
 H     -0.092642      3.078661      1.067028    0.00  -0.000036152   0.000006351  -0.000014460
 H     -2.881549      0.146134      0.444633    0.00  -0.000001050  -0.000005495  -0.000013450
 H     -1.813922      1.257131      2.093266    0.00  -0.000001879  -0.000002036  -0.000020280
 H     -0.145006      1.362401      2.783864    0.00  -0.000000237   0.000004788  -0.000003165
 H     -0.513513      0.384959     -1.525894    0.00  -0.000012821   0.000011791   0.000014116
 O     -0.660291     -2.110281      0.595745    0.00   0.000025812   0.000101400   0.000135377
 C     -2.791025     -1.423682     -1.046975    0.00   0.000140279   0.000023920   0.000203804
 H     -3.191878     -2.220988     -0.406904    0.00   0.000030483  -0.000005909   0.000009823
 H     -3.616638     -1.027270     -1.646738    0.00   0.000009301  -0.000003456   0.000011050
 H     -2.077955     -1.907640     -1.731259    0.00   0.000016509   0.000006962   0.000037565
 H      1.069399     -2.563985      0.725096    0.00  -0.000002751   0.000011622  -0.000008381
 O     -0.413371     -0.219743      1.628862    0.00   0.000021359   0.000069574   0.000192835
 O      1.788433     -1.569106     -1.368113    0.00   0.000302227  -0.000404872  -0.000076534
 C      2.430666     -2.382556     -0.740545    0.00   0.000203739  -0.000142212  -0.000083932
 H      3.403111     -2.817403     -0.978774    0.00   0.000021100  -0.000014902  -0.000008107
 O      1.999275     -2.892658      0.435042    0.00   0.000053378   0.000142842  -0.000143264
26
 Energy =      -0.317815408101
 C     -0.285791      2.044389      0.697712    0.00  -0.000259081   0.000029626  -0.000095725
 C     -1.307069      2.093210     -0.441824    0.00  -0.000244248   0.000009070  -0.000181367
 C     -1.486602      0.739355     -1.135618    0.00  -0.000162946   0.000051290  -0.000014598
 C     -2.118039     -0.327034     -0.221113    0.00   0.000023532   0.000014607   0.000041881
 C     -1.043918     -0.958835      0.648251    0.00   0.000010122   0.000051931   0.000099475
 C     -0.737228      1.175015      1.863793    0.00  -0.000046276   0.000027647  -0.000056732
 H     -2.124052      0.872725     -2.033208    0.00  -0.000014895   0.000002625  -0.000001855
 H     -2.281291      2.464689     -0.068229    0.00  -0.000024067  -0.000006359  -0.000034278
 H     -0.975389      2.839932     -1.193071    0.00  -0.000039355   0.000002694  -0.000007550
 H      0.687113      1.662173      0.316177    0.00  -0.000019160   0.000010060   0.000010865
 H     -0.079462      3.071396      1.059900    0.00  -0.000035227   0.000006193  -0.000014211
 H     -2.880412      0.151890      0.445136    0.00  -0.000001434  -0.000005102  -0.000013026
 H     -1.812704      1.261538      2.088529    0.00  -0.000002593  -0.000002420  -0.000019649
 H     -0.144861      1.361655      2.782466    0.00  -0.000001475   0.000004244  -0.000003744
 H     -0.512011      0.372863     -1.527033    0.00  -0.000012752   0.000011122   0.000013391
 O     -0.664767     -2.112903      0.597068    0.00   0.000021472   0.000101276   0.000139407
 C     -2.799367     -1.422984     -1.041419    0.00   0.000129729   0.000023326   0.000189752
 H     -3.204766     -2.215517     -0.398329    0.00   0.000028530  -0.000005486   0.000009027
 H     -3.622818     -1.023969     -1.642462    0.00   0.000008506  -0.000003235   0.000010146
 H     -2.089319     -1.913537     -1.724119    0.00   0.000015377   0.000006639   0.000035227
 H      1.066656     -2.566399      0.720644    0.00  -0.000002755   0.000011117  -0.000007840
 O     -0.417652     -0.223095      1.631917    0.00   0.000010534   0.000066862   0.000175313
 O      1.790401     -1.553920     -1.362542    0.00   0.000319285  -0.000395336  -0.000052102
 C      2.431610     -2.372033     -0.739960    0.00   0.000216282  -0.000137348  -0.000074996
 H      3.405055     -2.804134     -0.979126    0.00   0.000022709  -0.000014197  -0.000007671
 O      1.997342     -2.892224      0.430100    0.00   0.000060184   0.000139154  -0.000139140
26
 Energy =      -0.317871966703
 C     -0.277800      2.037140      0.693492    0.00  -0.000255490   0.000028797  -0.000096305
 C     -1.297117      2.088113     -0.447739    0.00  -0.000240592   0.000009526  -0.000174631
 C     -1.483273      0.733210     -1.137777    0.00  -0.000162366   0.000049264  -0.000015800
 C     -2.119701     -0.327377     -0.219938    0.00   0.000017481   0.000014541   0.000037369
 C     -1.047360     -0.961321      0.650055    0.00   0.000005393   0.000051068   0.000095156
 C     -0.735471      1.173754      1.861629    0.00  -0.000053939   0.000024436  -0.000060371
 H     -2.120083      0.867052     -2.035705    0.00  -0.000014886   0.000002520  -0.000002029
 H     -2.269786      2.466172     -0.076726    0.00  -0.000023414  -0.000005972  -0.000032399
 H     -0.960100      2.830650     -1.200762    0.00  -0.000037772   0.000002768  -0.000007654
 H      0.693540      1.648413      0.314436    0.00  -0.000019076   0.000009753   0.000009666
 H     -0.066326      3.064098      1.052795    0.00  -0.000034343   0.000005998  -0.000014008
 H     -2.879141      0.157339      0.445460    0.00  -0.000001751  -0.000004765  -0.000012635
 H     -1.811001      1.265705      2.083916    0.00  -0.000003200  -0.000002729  -0.000019055
 H     -0.144114      1.360724      2.780857    0.00  -0.000002564   0.000003774  -0.000004234
 H     -0.510356      0.360921     -1.528117    0.00  -0.000012815   0.000010460   0.000012688
 O     -0.669293     -2.115721      0.598511    0.00   0.000017383   0.000100835   0.000142995
 C     -2.807272     -1.422376     -1.036181    0.00   0.000119837   0.000022767   0.000176760
 H     -3.217058     -2.210268     -0.390207    0.00   0.000026715  -0.000005074   0.000008365
 H     -3.628603     -1.020842     -1.638476    0.00   0.000007779  -0.000003028   0.000009294
 H     -2.100177     -1.919279     -1.717322    0.00   0.000014247   0.000006361   0.000033040
 H      1.063764     -2.568840      0.716555    0.00  -0.000002771   0.000010605  -0.000007330
 O     -0.421507     -0.226497      1.634672    0.00   0.000000542   0.000064368   0.000159771
 O      1.791493     -1.538452     -1.356507    0.00   0.000335887  -0.000385789  -0.000028887
 C      2.431977     -2.361173     -0.739218    0.00   0.000228476  -0.000132419  -0.000066950
 H      3.406431     -2.790329     -0.979610    0.00   0.000024321  -0.000013463  -0.000007307
 O      1.995247     -2.891632      0.425261    0.00   0.000066917   0.000135397  -0.000135510
26
 Energy =      -0.317927806573
 C     -0.269763      2.029916      0.689241    0.00  -0.000252441   0.000027961  -0.000096823
 C     -1.287273      2.082946     -0.453543    0.00  -0.000237738   0.000009795  -0.000168919
 C     -1.479828      0.727063     -1.139936    0.00  -0.000162554   0.000047240  -0.000017228
 C     -2.121140     -0.327845     -0.218908    0.00   0.000011686   0.000014368   0.000033045
 C     -1.050621     -0.963904      0.651771    0.00   0.000000870   0.000050143   0.000091317
 C     -0.733342      1.172368      1.859381    0.00  -0.000060756   0.000021630  -0.000063442
 H     -2.115947      0.861352     -2.038239    0.00  -0.000014969   0.000002415  -0.000002237
 H     -2.258384      2.467310     -0.084963    0.00  -0.000022808  -0.000005608  -0.000030735
 H     -0.945203      2.821418     -1.208285    0.00  -0.000036394   0.000002800  -0.000007816
 H      0.699988      1.634894      0.312508    0.00  -0.000019080   0.000009443   0.000008577
 H     -0.053269      3.056792      1.045733    0.00  -0.000033509   0.000005772  -0.000013843
 H     -2.877737      0.162486      0.445604    0.00  -0.000002011  -0.000004477  -0.000012288
 H     -1.808862      1.269633      2.079422    0.00  -0.000003715  -0.000002975  -0.000018501
 H     -0.142831      1.359621      2.779068    0.00  -0.000003514   0.000003375  -0.000004644
 H     -0.508525      0.349144     -1.529131    0.00  -0.000012985   0.000009814   0.000012015
 O     -0.673839     -2.118717      0.600068    0.00   0.000013561   0.000100094   0.000146303
 C     -2.814731     -1.421861     -1.031264    0.00   0.000110573   0.000022227   0.000164771
 H     -3.228744     -2.205245     -0.382539    0.00   0.000025050  -0.000004676   0.000007806
 H     -3.633986     -1.017891     -1.634785    0.00   0.000007105  -0.000002842   0.000008486
 H     -2.110510     -1.924870     -1.710868    0.00   0.000013134   0.000006125   0.000031018
 H      1.060751     -2.571291      0.712837    0.00  -0.000002795   0.000010093  -0.000006858
 O     -0.424955     -0.229939      1.637149    0.00  -0.000008561   0.000062089   0.000146164
 O      1.791704     -1.522769     -1.350048    0.00   0.000352040  -0.000376212  -0.000006964
 C      2.431771     -2.350017     -0.738339    0.00   0.000240330  -0.000127498  -0.000059804
 H      3.407232     -2.776041     -0.980246    0.00   0.000025934  -0.000012720  -0.000007011
 O      1.993007     -2.890873      0.420532    0.00   0.000073548   0.000131624  -0.000132391
26
 Energy =      -0.317983172437
 C     -0.261700      2.022732      0.684977    0.00  -0.000249946   0.000027115  -0.000097245
 C     -1.277535      2.077719     -0.459237    0.00  -0.000235694   0.000009897  -0.000164179
 C     -1.476253      0.720920     -1.142092    0.00  -0.000163495   0.000045211  -0.000018871
 C     -2.122354     -0.328432     -0.218022    0.00   0.000006144   0.000014103   0.000028914
 C     -1.053698     -0.966571      0.653408    0.00  -0.000003414   0.000049185   0.000087981
 C     -0.730885      1.170872      1.857065    0.00  -0.000066766   0.000019185  -0.000066006
 H     -2.111619      0.855625     -2.040817    0.00  -0.000015140   0.000002308  -0.000002475
 H     -2.247095      2.468124     -0.092959    0.00  -0.000022261  -0.000005270  -0.000029285
 H     -0.930680      2.812249     -1.215642    0.00  -0.000035225   0.000002788  -0.000008019
 H      0.706450      1.621625      0.310431    0.00  -0.000019150   0.000009134   0.000007604
 H     -0.040323      3.049494      1.038738    0.00  -0.000032741   0.000005528  -0.000013710
 H     -2.876202      0.167341      0.445566    0.00  -0.000002226  -0.000004224  -0.000011994
 H     -1.806341      1.273325      2.075038    0.00  -0.000004147  -0.000003159  -0.000017997
 H     -0.141077      1.358363      2.777129    0.00  -0.000004327   0.000003036  -0.000004982
 H     -0.506499      0.337537     -1.530062    0.00  -0.000013256   0.000009179   0.000011389
 O     -0.678382     -2.121869      0.601735    0.00   0.000010024   0.000099074   0.000149449
 C     -2.821738     -1.421437     -1.026663    0.00   0.000101896   0.000021706   0.000153718
 H     -3.239829     -2.200448     -0.375321    0.00   0.000023532  -0.000004303   0.000007321
 H     -3.638955     -1.015114     -1.631394    0.00   0.000006471  -0.000002672   0.000007720
 H     -2.120307     -1.930315     -1.704753    0.00   0.000012054   0.000005914   0.000029163
 H      1.057639     -2.573731      0.709482    0.00  -0.000002831   0.000009596  -0.000006434
 O     -0.428023     -0.233411      1.639377    0.00  -0.000016748   0.000060010   0.000134413
 O      1.791046     -1.506930     -1.343216    0.00   0.000367794  -0.000366583   0.000013621
 C      2.431003     -2.338600     -0.737349    0.00   0.000251819  -0.000122650  -0.000053513
 H      3.407463     -2.761318     -0.981050    0.00   0.000027548  -0.000011985  -0.000006779
 O      1.990644     -2.889940      0.415913    0.00   0.000080085   0.000127878  -0.000129805
26
 Energy =      -0.318038285422
 C     -0.253630      2.015599      0.680721    0.00  -0.000248002   0.000026247  -0.000097578
 C     -1.267898      2.072444     -0.464824    0.00  -0.000234449   0.000009853  -0.000160349
 C     -1.472536      0.714783     -1.144244    0.00  -0.000165153   0.000043166  -0.000020682
 C     -2.123343     -0.329130     -0.217275    0.00   0.000000840   0.000013774   0.000024932
 C     -1.056594     -0.969310      0.654974    0.00  -0.000007430   0.000048182   0.000085141
 C     -0.728148      1.169276      1.854698    0.00  -0.000072014   0.000017087  -0.000068123
 H     -2.107080      0.849865     -2.043444    0.00  -0.000015406   0.000002194  -0.000002740
 H     -2.235926      2.468632     -0.100739    0.00  -0.000021788  -0.000004951  -0.000028040
 H     -0.916499      2.803151     -1.222835    0.00  -0.000034255   0.000002740  -0.000008245
 H      0.712917      1.608615      0.308247    0.00  -0.000019274   0.000008832   0.000006750
 H     -0.027510      3.042220      1.031827    0.00  -0.000032050   0.000005267  -0.000013601
 H     -2.874540      0.171922      0.445343    0.00  -0.000002408  -0.000004004  -0.000011753
 H     -1.803493      1.276796      2.070753    0.00  -0.000004504  -0.000003296  -0.000017551
 H     -0.138927      1.356967      2.775072    0.00  -0.000005015   0.000002751  -0.000005253
 H     -0.504257      0.326100     -1.530897    0.00  -0.000013603   0.000008561   0.000010817
 O     -0.682903     -2.125155      0.603509    0.00   0.000006764   0.000097805   0.000152568
 C     -2.828294     -1.421105     -1.022374    0.00   0.000093767   0.000021197   0.000143516
 H     -3.250323     -2.195873     -0.368542    0.00   0.000022164  -0.000003952   0.000006893
 H     -3.643510     -1.012509     -1.628299    0.00   0.000005868  -0.000002520   0.000006982
 H     -2.129565     -1.935624     -1.698966    0.00   0.000011011   0.000005725   0.000027477
 H      1.054455     -2.576148      0.706480    0.00  -0.000002878   0.000009118  -0.000006056
 O     -0.430744     -0.236900      1.641386    0.00  -0.000024011   0.000058095   0.000124436
 O      1.789537     -1.490996     -1.336061    0.00   0.000383157  -0.000356888   0.000032889
 C      2.429690     -2.326964     -0.736270    0.00   0.000262974  -0.000117917  -0.000048044
 H      3.407140     -2.746207     -0.982034    0.00   0.000029159  -0.000011267  -0.000006604
 O      1.988179     -2.888826      0.411400    0.00   0.000086535   0.000124198  -0.000127781
26
 Energy =      -0.318093342631
 C     -0.245568      2.008524      0.676489    0.00  -0.000246603   0.000025356  -0.000097810
 C     -1.258353      2.067132     -0.470308    0.00  -0.000233978   0.000009675  -0.000157356
 C     -1.468666      0.708656     -1.146390    0.00  -0.000167505   0.000041110  -0.000022640
 C     -2.124110     -0.329931     -0.216665    0.00  -0.000004249   0.000013378   0.000021103
 C     -1.059315     -0.972108      0.656481    0.00  -0.000011162   0.000047180   0.000082786
 C     -0.725177      1.167596      1.852294    0.00  -0.000076543   0.000015293  -0.000069832
 H     -2.102310      0.844071     -2.046124    0.00  -0.000015758   0.000002069  -0.000003028
 H     -2.224874      2.468857     -0.108329    0.00  -0.000021398  -0.000004665  -0.000026992
 H     -0.902628      2.794127     -1.229869    0.00  -0.000033485   0.000002672  -0.000008488
 H      0.719384      1.595863      0.305996    0.00  -0.000019439   0.000008532   0.000006016
 H     -0.014850      3.034982      1.025016    0.00  -0.000031439   0.000005003  -0.000013513
 H     -2.872755      0.176243      0.444936    0.00  -0.000002561  -0.000003803  -0.000011584
 H     -1.800372      1.280059      2.066557    0.00  -0.000004797  -0.000003385  -0.000017162
 H     -0.136449      1.355455      2.772927    0.00  -0.000005585   0.000002513  -0.000005467
 H     -0.501786      0.314827     -1.531625    0.00  -0.000014013   0.000007956   0.000010304
 O     -0.687387     -2.128556      0.605391    0.00   0.000003787   0.000096288   0.000155736
 C     -2.834408     -1.420862     -1.018386    0.00   0.000086124   0.000020705   0.000134089
 H     -3.260250     -2.191512     -0.362189    0.00   0.000020939  -0.000003626   0.000006496
 H     -3.647650     -1.010070     -1.625502    0.00   0.000005289  -0.000002390   0.000006273
 H     -2.138287     -1.940809     -1.693488    0.00   0.000010018   0.000005549   0.000025954
 H      1.051218     -2.578528      0.703808    0.00  -0.000002934   0.000008660  -0.000005732
 O     -0.433154     -0.240396      1.643207    0.00  -0.000030361   0.000056321   0.000116124
 O      1.787209     -1.475021     -1.328637    0.00   0.000398184  -0.000347122   0.000050857
 C      2.427858     -2.315140     -0.735129    0.00   0.000273807  -0.000113304  -0.000043341
 H      3.406286     -2.730748     -0.983204    0.00   0.000030758  -0.000010574  -0.000006478
 O      1.985633     -2.887527      0.406991    0.00   0.000092904   0.000120610  -0.000126316
26
 Energy =      -0.318148517826
 C     -0.237525      2.001512      0.672298    0.00  -0.000245715   0.000024436  -0.000097940
 C     -1.248887      2.061789     -0.475696    0.00  -0.000234260   0.000009373  -0.000155128
 C     -1.464634      0.702536     -1.148528    0.00  -0.000170513   0.000039035  -0.000024737
 C     -2.124660     -0.330826     -0.216184    0.00  -0.000009121   0.000012948   0.000017404
 C     -1.061872     -0.974955      0.657941    0.00  -0.000014598   0.000046141   0.000080902
 C     -0.722017      1.165845      1.849871    0.00  -0.000080403   0.000013782  -0.000071198
 H     -2.097290      0.838237     -2.048861    0.00  -0.000016191   0.000001933  -0.000003334
 H     -2.213935      2.468823     -0.115759    0.00  -0.000021097  -0.000004399  -0.000026129
 H     -0.889030      2.785178     -1.236750    0.00  -0.000032892   0.000002580  -0.000008731
 H      0.725847      1.583362      0.303716    0.00  -0.000019636   0.000008240   0.000005399
 H     -0.002352      3.027789      1.018317    0.00  -0.000030912   0.000004737  -0.000013438
 H     -2.870856      0.180326      0.444346    0.00  -0.000002700  -0.000003624  -0.000011475
 H     -1.797030      1.283134      2.062438    0.00  -0.000005032  -0.000003437  -0.000016831
 H     -0.133711      1.353846      2.770723    0.00  -0.000006052   0.000002315  -0.000005625
 H     -0.499073      0.303709     -1.532232    0.00  -0.000014474   0.000007364   0.000009852
 O     -0.691819     -2.132050      0.607381    0.00   0.000001060   0.000094562   0.000159035
 C     -2.840087     -1.420703     -1.014688    0.00   0.000078933   0.000020218   0.000125355
 H     -3.269632     -2.187352     -0.356244    0.00   0.000019843  -0.000003328   0.000006119
 H     -3.651376     -1.007792     -1.623000    0.00   0.000004723  -0.000002278   0.000005584
 H     -2.146482     -1.945881     -1.688300    0.00   0.000009071   0.000005381   0.000024586
 H      1.047951     -2.580863      0.701446    0.00  -0.000002995   0.000008230  -0.000005460
 O     -0.435293     -0.243890      1.644872    0.00  -0.000035827   0.000054665   0.000109365
 O      1.784098     -1.459052     -1.320997    0.00   0.000412889  -0.000337268   0.000067585
 C      2.425534     -2.303158     -0.733945    0.00   0.000284348  -0.000108838  -0.000039335
 H      3.404924     -2.714981     -0.984564    0.00   0.000032344  -0.000009913  -0.000006401
 O      1.983023     -2.886040      0.402675    0.00   0.000099208   0.000117144  -0.000125422
26
 Energy =      -0.318203962862
 C     -0.229511      1.994567      0.668162    0.00  -0.000245319   0.000023477  -0.000097973
 C     -1.239489      2.056418     -0.480994    0.00  -0.000235256   0.000008980  -0.000153589
 C     -1.460430      0.696420     -1.150658    0.00  -0.000174110   0.000036927  -0.000026944
 C     -2.125000     -0.331808     -0.215826    0.00  -0.000013800   0.000012487   0.000013815
 C     -1.064273     -0.977840      0.659368    0.00  -0.000017758   0.000045094   0.000079463
 C     -0.718709      1.164037      1.847440    0.00  -0.000083675   0.000012514  -0.000072237
 H     -2.092008      0.832357     -2.051658    0.00  -0.000016706   0.000001782  -0.000003663
 H     -2.203103      2.468549     -0.123055    0.00  -0.000020883  -0.000004150  -0.000025436
 H     -0.875666      2.776298     -1.243487    0.00  -0.000032468   0.000002463  -0.000008973
 H      0.732303      1.571101      0.301442    0.00  -0.000019860   0.000007957   0.000004891
 H      0.009976      3.020646      1.011740    0.00  -0.000030466   0.000004478  -0.000013373
 H     -2.868847      0.184191      0.443572    0.00  -0.000002832  -0.000003462  -0.000011427
 H     -1.793515      1.286037      2.058383    0.00  -0.000005222  -0.000003453  -0.000016557
 H     -0.130777      1.352161      2.768486    0.00  -0.000006413   0.000002151  -0.000005732
 H     -0.496108      0.292734     -1.532714    0.00  -0.000014974   0.000006789   0.000009470
 O     -0.696194     -2.135620      0.609480    0.00  -0.000001398   0.000092619   0.000162490
 C     -2.845347     -1.420627     -1.011268    0.00   0.000072124   0.000019736   0.000117234
 H     -3.278500     -2.183381     -0.350689    0.00   0.000018872  -0.000003057   0.000005757
 H     -3.654695     -1.005668     -1.620790    0.00   0.000004166  -0.000002180   0.000004908
 H     -2.154161     -1.950852     -1.683385    0.00   0.000008171   0.000005214   0.000023362
 H      1.044670     -2.583144      0.699364    0.00  -0.000003065   0.000007830  -0.000005238
 O     -0.437198     -0.247371      1.646415    0.00  -0.000040426   0.000053112   0.000104040
 O      1.780242     -1.443132     -1.313191    0.00   0.000427297  -0.000327322   0.000083136
 C      2.422748     -2.291046     -0.732742    0.00   0.000294609  -0.000104515  -0.000035951
 H      3.403086     -2.698935     -0.986113    0.00   0.000033912  -0.000009291  -0.000006362
 O      1.980368     -2.884364      0.398445    0.00   0.000105479   0.000113818  -0.000125112
26
 Energy =      -0.318259809305
 C     -0.221533      1.987689      0.664092    0.00  -0.000245386   0.000022488  -0.000097906
 C     -1.230145      2.051024     -0.486209    0.00  -0.000236905   0.000008486  -0.000152667
 C     -1.456050      0.690308     -1.152776    0.00  -0.000178269   0.000034796  -0.000029219
 C     -2.125138     -0.332868     -0.215586    0.00  -0.000018298   0.000012013   0.000010316
 C     -1.066531     -0.980753      0.660772    0.00  -0.000020607   0.000044024   0.000078453
 C     -0.715293      1.162185      1.845012    0.00  -0.000086371   0.000011478  -0.000072993
 H     -2.086449      0.826427     -2.054520    0.00  -0.000017293   0.000001614  -0.000004003
 H     -2.192365      2.468056     -0.130245    0.00  -0.000020754  -0.000003926  -0.000024898
 H     -0.862498      2.767481     -1.250088    0.00  -0.000032202   0.000002337  -0.000009216
 H      0.738748      1.559066      0.299205    0.00  -0.000020103   0.000007677   0.000004490
 H      0.022134      3.013558      1.005291    0.00  -0.000030100   0.000004226  -0.000013314
 H     -2.866738      0.187856      0.442614    0.00  -0.000002954  -0.000003306  -0.000011440
 H     -1.789871      1.288789      2.054379    0.00  -0.000005362  -0.000003442  -0.000016338
 H     -0.127706      1.350417      2.766238    0.00  -0.000006693   0.000002018  -0.000005797
 H     -0.492885      0.281890     -1.533059    0.00  -0.000015497   0.000006226   0.000009141
 O     -0.700506     -2.139248      0.611691    0.00  -0.000003644   0.000090496   0.000166143
 C     -2.850202     -1.420630     -1.008112    0.00   0.000065661   0.000019255   0.000109647
 H     -3.286886     -2.179583     -0.345502    0.00   0.000018015  -0.000002810   0.000005392
 H     -3.657613     -1.003691     -1.618869    0.00   0.000003610  -0.000002101   0.000004247
 H     -2.161339     -1.955737     -1.678714    0.00   0.000007321   0.000005053   0.000022275
 H      1.041390     -2.585367      0.697535    0.00  -0.000003129   0.000007456  -0.000005069
 O     -0.438907     -0.250833      1.647863    0.00  -0.000044232   0.000051620   0.000100026
 O      1.775685     -1.427296     -1.305267    0.00   0.000441411  -0.000317286   0.000097570
 C      2.419532     -2.278828     -0.731540    0.00   0.000304627  -0.000100326  -0.000033143
 H      3.400803     -2.682644     -0.987851    0.00   0.000035453  -0.000008701  -0.000006357
 O      1.977682     -2.882498      0.394288    0.00   0.000111701   0.000110636  -0.000125340
26
 Energy =       -0.31831616991
 C     -0.213596      1.980875      0.660099    0.00  -0.000245868   0.000021467  -0.000097749
 C     -1.220841      2.045608     -0.491348    0.00  -0.000239164   0.000007902  -0.000152288
 C     -1.451489      0.684193     -1.154882    0.00  -0.000182909   0.000032651  -0.000031575
 C     -2.125082     -0.334000     -0.215457    0.00  -0.000022657   0.000011507   0.000006922
 C     -1.068659     -0.983685      0.662166    0.00  -0.000023187   0.000042929   0.000077825
 C     -0.711801      1.160301      1.842599    0.00  -0.000088575   0.000010631  -0.000073487
 H     -2.080608      0.820440     -2.057445    0.00  -0.000017937   0.000001431  -0.000004353
 H     -2.181712      2.467364     -0.137352    0.00  -0.000020705  -0.000003717  -0.000024501
 H     -0.849488      2.758720     -1.256559    0.00  -0.000032071   0.000002198  -0.000009449
 H      0.745181      1.547241      0.297033    0.00  -0.000020363   0.000007409   0.000004186
 H      0.034120      3.006522      0.998976    0.00  -0.000029811   0.000003982  -0.000013260
 H     -2.864534      0.191343      0.441475    0.00  -0.000003078  -0.000003156  -0.000011509
 H     -1.786136      1.291411      2.050414    0.00  -0.000005471  -0.000003404  -0.000016165
 H     -0.124550      1.348633      2.764000    0.00  -0.000006885   0.000001908  -0.000005823
 H     -0.489401      0.271162     -1.533263    0.00  -0.000016041   0.000005675   0.000008874
 O     -0.704751     -2.142920      0.614017    0.00  -0.000005646   0.000088198   0.000169995
 C     -2.854670     -1.420706     -1.005206    0.00   0.000059503   0.000018778   0.000102533
 H     -3.294819     -2.175944     -0.340665    0.00   0.000017256  -0.000002588   0.000005030
 H     -3.660142     -1.001853     -1.617231    0.00   0.000003055  -0.000002035   0.000003595
 H     -2.168033     -1.960548     -1.674270    0.00   0.000006512   0.000004886   0.000021306
 H      1.038124     -2.587526      0.695931    0.00  -0.000003198   0.000007111  -0.000004945
 O     -0.440456     -0.254267      1.649246    0.00  -0.000047252   0.000050212   0.000097204
 O      1.770469     -1.411575     -1.297267    0.00   0.000455195  -0.000307180   0.000110965
 C      2.415916     -2.266524     -0.730356    0.00   0.000314413  -0.000096251  -0.000030847
 H      3.398106     -2.666130     -0.989773    0.00   0.000036965  -0.000008150  -0.000006387
 O      1.974977     -2.880445      0.390195    0.00   0.000117919   0.000107607  -0.000126098
26
 Energy =      -0.318373139559
 C     -0.205701      1.974125      0.656190    0.00  -0.000246741   0.000020409  -0.000097486
 C     -1.211563      2.040172     -0.496416    0.00  -0.000241958   0.000007249  -0.000152367
 C     -1.446743      0.678076     -1.156977    0.00  -0.000187958   0.000030490  -0.000033961
 C     -2.124842     -0.335196     -0.215433    0.00  -0.000026856   0.000011002   0.000003597
 C     -1.070669     -0.986629      0.663561    0.00  -0.000025494   0.000041824   0.000077559
 C     -0.708264      1.158396      1.840209    0.00  -0.000090320   0.000009950  -0.000073758
 H     -2.074480      0.814392     -2.060435    0.00  -0.000018640   0.000001233  -0.000004708
 H     -2.171129      2.466493     -0.144399    0.00  -0.000020729  -0.000003526  -0.000024226
 H     -0.836602      2.750005     -1.262911    0.00  -0.000032068   0.000002042  -0.000009678
 H      0.751600      1.535607      0.294949    0.00  -0.000020633   0.000007153   0.000003968
 H      0.045943      2.999540      0.992796    0.00  -0.000029597   0.000003755  -0.000013213
 H     -2.862245      0.194668      0.440158    0.00  -0.000003199  -0.000003016  -0.000011627
 H     -1.782349      1.293921      2.046478    0.00  -0.000005543  -0.000003347  -0.000016045
 H     -0.121354      1.346825      2.761790    0.00  -0.000007008   0.000001822  -0.000005808
 H     -0.485657      0.260536     -1.533322    0.00  -0.000016587   0.000005142   0.000008659
 O     -0.708927     -2.146621      0.616461    0.00  -0.000007432   0.000085733   0.000174032
 C     -2.858767     -1.420853     -1.002536    0.00   0.000053605   0.000018303   0.000095836
 H     -3.302332     -2.172451     -0.336158    0.00   0.000016584  -0.000002381   0.000004662
 H     -3.662289     -1.000150     -1.615872    0.00   0.000002500  -0.000001985   0.000002950
 H     -2.174264     -1.965298     -1.670029    0.00   0.000005745   0.000004715   0.000020445
 H      1.034884     -2.589616      0.694521    0.00  -0.000003256   0.000006794  -0.000004862
 O     -0.441878     -0.257668      1.650589    0.00  -0.000049558   0.000048844   0.000095461
 O      1.764640     -1.395991     -1.289230    0.00   0.000468635  -0.000297013   0.000123361
 C      2.411931     -2.254151     -0.729206    0.00   0.000323952  -0.000092289  -0.000028998
 H      3.395024     -2.649419     -0.991874    0.00   0.000038439  -0.000007633  -0.000006441
 O      1.972266     -2.878205      0.386153    0.00   0.000124117   0.000104730  -0.000127353
26
 Energy =      -0.318430795575
 C     -0.197852      1.967431      0.652370    0.00  -0.000247961   0.000019333  -0.000097140
 C     -1.202302      2.034715     -0.501421    0.00  -0.000245219   0.000006512  -0.000152839
 C     -1.441817      0.671950     -1.159058    0.00  -0.000193321   0.000028332  -0.000036359
 C     -2.124428     -0.336451     -0.215507    0.00  -0.000030927   0.000010468   0.000000387
 C     -1.072572     -0.989577      0.664965    0.00  -0.000027526   0.000040719   0.000077584
 C     -0.704710      1.156479      1.837849    0.00  -0.000091637   0.000009409  -0.000073838
 H     -2.068064      0.808280     -2.063486    0.00  -0.000019381   0.000001023  -0.000005064
 H     -2.160607      2.465458     -0.151405    0.00  -0.000020819  -0.000003353  -0.000024060
 H     -0.823809      2.741328     -1.269148    0.00  -0.000032171   0.000001882  -0.000009898
 H      0.758005      1.524145      0.292975    0.00  -0.000020912   0.000006905   0.000003835
 H      0.057609      2.992608      0.986753    0.00  -0.000029453   0.000003539  -0.000013163
 H     -2.859875      0.197849      0.438665    0.00  -0.000003322  -0.000002871  -0.000011791
 H     -1.778533      1.296338      2.042561    0.00  -0.000005584  -0.000003272  -0.000015965
 H     -0.118158      1.345007      2.759621    0.00  -0.000007069   0.000001758  -0.000005764
 H     -0.481655      0.250000     -1.533236    0.00  -0.000017130   0.000004628   0.000008495
 O     -0.713036     -2.150341      0.619023    0.00  -0.000009008   0.000083127   0.000178236
 C     -2.862512     -1.421067     -1.000088    0.00   0.000047939   0.000017835   0.000089500
 H     -3.309456     -2.169088     -0.331962    0.00   0.000015991  -0.000002195   0.000004294
 H     -3.664065     -0.998572     -1.614782    0.00   0.000001942  -0.000001943   0.000002312
 H     -2.180048     -1.969995     -1.665970    0.00   0.000005015   0.000004538   0.000019679
 H      1.031677     -2.591635      0.693279    0.00  -0.000003302   0.000006506  -0.000004820
 O     -0.443204     -0.261029      1.651914    0.00  -0.000051201   0.000047515   0.000094696
 O      1.758243     -1.380565     -1.281190    0.00   0.000481651  -0.000286812   0.000134802
 C      2.407607     -2.241725     -0.728103    0.00   0.000333239  -0.000088434  -0.000027553
 H      3.391588     -2.632530     -0.994146    0.00   0.000039868  -0.000007152  -0.000006518
 O      1.969556     -2.875782      0.382153    0.00   0.000130298   0.000102003  -0.000129048
26
 Energy =      -0.318489197274
 C     -0.190047      1.960791      0.648645    0.00  -0.000249503   0.000018239  -0.000096709
 C     -1.193043      2.029238     -0.506367    0.00  -0.000248860   0.000005724  -0.000153628
 C     -1.436709      0.665813     -1.161124    0.00  -0.000198888   0.000026184  -0.000038716
 C     -2.123850     -0.337758     -0.215675    0.00  -0.000034824   0.000009966  -0.000002747
 C     -1.074382     -0.992524      0.666387    0.00  -0.000029304   0.000039578   0.000077896
 C     -0.701158      1.154560      1.835526    0.00  -0.000092584   0.000009000  -0.000073734
 H     -2.061366      0.802103     -2.066598    0.00  -0.000020152   0.000000800  -0.000005419
 H     -2.150131      2.464274     -0.158384    0.00  -0.000020967  -0.000003200  -0.000023985
 H     -0.811079      2.732680     -1.275281    0.00  -0.000032367   0.000001713  -0.000010109
 H      0.764392      1.512833      0.291121    0.00  -0.000021198   0.000006673   0.000003779
 H      0.069130      2.985722      0.980844    0.00  -0.000029374   0.000003336  -0.000013118
 H     -2.857433      0.200900      0.437000    0.00  -0.000003445  -0.000002732  -0.000011988
 H     -1.774716      1.298679      2.038653    0.00  -0.000005606  -0.000003188  -0.000015924
 H     -0.114994      1.343194      2.757506    0.00  -0.000007069   0.000001709  -0.000005694
 H     -0.477405      0.239542     -1.533004    0.00  -0.000017653   0.000004141   0.000008372
 O     -0.717077     -2.154067      0.621704    0.00  -0.000010380   0.000080393   0.000182551
 C     -2.865924     -1.421344     -0.997850    0.00   0.000042487   0.000017362   0.000083497
 H     -3.316218     -2.165842     -0.328057    0.00   0.000015466  -0.000002023   0.000003916
 H     -3.665485     -0.997116     -1.613957    0.00   0.000001378  -0.000001912   0.000001685
 H     -2.185407     -1.974651     -1.662075    0.00   0.000004321   0.000004359   0.000018999
 H      1.028510     -2.593581      0.692177    0.00  -0.000003337   0.000006240  -0.000004815
 O     -0.444460     -0.264347      1.653240    0.00  -0.000052223   0.000046229   0.000094779
 O      1.751321     -1.365308     -1.273176    0.00   0.000494169  -0.000276619   0.000145311
 C      2.402972     -2.229261     -0.727056    0.00   0.000342216  -0.000084688  -0.000026454
 H      3.387826     -2.615487     -0.996580    0.00   0.000041240  -0.000006706  -0.000006612
 O      1.966853     -2.873179      0.378184    0.00   0.000136458   0.000099420  -0.000131134
26
 Energy =      -0.318548384688
 C     -0.182284      1.954198      0.645014    0.00  -0.000251309   0.000017146  -0.000096191
 C     -1.183780      2.023741     -0.511259    0.00  -0.000252789   0.000004863  -0.000154639
 C     -1.431429      0.659665     -1.163175    0.00  -0.000204537   0.000024083  -0.000041028
 C     -2.123118     -0.339112     -0.215927    0.00  -0.000038576   0.000009450  -0.000005752
 C     -1.076108     -0.995464      0.667835    0.00  -0.000030833   0.000038455   0.000078431
 C     -0.697628      1.152647      1.833243    0.00  -0.000093197   0.000008674  -0.000073496
 H     -2.054396      0.795860     -2.069766    0.00  -0.000020923   0.000000573  -0.000005762
 H     -2.139690      2.462959     -0.165350    0.00  -0.000021165  -0.000003065  -0.000023987
 H     -0.798389      2.724051     -1.281313    0.00  -0.000032635   0.000001537  -0.000010306
 H      0.770763      1.501649      0.289403    0.00  -0.000021482   0.000006462   0.000003790
 H      0.080519      2.978876      0.975066    0.00  -0.000029366   0.000003153  -0.000013074
 H     -2.854925      0.203834      0.435170    0.00  -0.000003572  -0.000002592  -0.000012209
 H     -1.770917      1.300960      2.034747    0.00  -0.000005603  -0.000003094  -0.000015923
 H     -0.111889      1.341395      2.755454    0.00  -0.000007025   0.000001677  -0.000005602
 H     -0.472917      0.229151     -1.532633    0.00  -0.000018150   0.000003687   0.000008286
 O     -0.721053     -2.157791      0.624504    0.00  -0.000011529   0.000077562   0.000186911
 C     -2.869018     -1.421682     -0.995806    0.00   0.000037236   0.000016903   0.000077801
 H     -3.322647     -2.162702     -0.324425    0.00   0.000014998  -0.000001866   0.000003541
 H     -3.666561     -0.995775     -1.613388    0.00   0.000000813  -0.000001886   0.000001065
 H     -2.190362     -1.979275     -1.658324    0.00   0.000003660   0.000004171   0.000018394
 H      1.025388     -2.595448      0.691191    0.00  -0.000003352   0.000006001  -0.000004840
 O     -0.445672     -0.267617      1.654586    0.00  -0.000052662   0.000044974   0.000095620
 O      1.743920     -1.350232     -1.265213    0.00   0.000506046  -0.000266500   0.000154898
 C      2.398054     -2.216767     -0.726075    0.00   0.000350833  -0.000081045  -0.000025655
 H      3.383766     -2.598306     -0.999166    0.00   0.000042546  -0.000006290  -0.000006718
 O      1.964165     -2.870400      0.374238    0.00   0.000142573   0.000096968  -0.000133554
26
 Energy =      -0.318608376645
 C     -0.174562      1.947643      0.641479    0.00  -0.000253351   0.000016067  -0.000095605
 C     -1.174503      2.018222     -0.516100    0.00  -0.000256901   0.000003954  -0.000155805
 C     -1.425987      0.653503     -1.165210    0.00  -0.000210111   0.000022058  -0.000043216
 C     -2.122243     -0.340508     -0.216259    0.00  -0.000042138   0.000008948  -0.000008633
 C     -1.077765     -0.998391      0.669313    0.00  -0.000032121   0.000037316   0.000079140
 C     -0.694131      1.150744      1.831003    0.00  -0.000093525   0.000008426  -0.000073130
 H     -2.047171      0.789556     -2.072982    0.00  -0.000021679   0.000000346  -0.000006085
 H     -2.129272      2.461528     -0.172310    0.00  -0.000021401  -0.000002955  -0.000024049
 H     -0.785717      2.715434     -1.287251    0.00  -0.000032959   0.000001362  -0.000010484
 H      0.777113      1.490570      0.287821    0.00  -0.000021766   0.000006277   0.000003861
 H      0.091795      2.972060      0.969413    0.00  -0.000029417   0.000002986  -0.000013029
 H     -2.852360      0.206663      0.433180    0.00  -0.000003696  -0.000002450  -0.000012448
 H     -1.767149      1.303197      2.030835    0.00  -0.000005590  -0.000002998  -0.000015951
 H     -0.108863      1.339620      2.753471    0.00  -0.000006938   0.000001656  -0.000005497
 H     -0.468209      0.218819     -1.532131    0.00  -0.000018601   0.000003272   0.000008226
 O     -0.724969     -2.161504      0.627420    0.00  -0.000012464   0.000074659   0.000191251
 C     -2.871818     -1.422077     -0.993946    0.00   0.000032185   0.000016455   0.000072397
 H     -3.328771     -2.159657     -0.321049    0.00   0.000014579  -0.000001718   0.000003161
 H     -3.667308     -0.994547     -1.613063    0.00   0.000000251  -0.000001871   0.000000461
 H     -2.194934     -1.983875     -1.654700    0.00   0.000003034   0.000003980   0.000017854
 H      1.022315     -2.597234      0.690298    0.00  -0.000003353   0.000005781  -0.000004894
 O     -0.446861     -0.270838      1.655964    0.00  -0.000052558   0.000043770   0.000097099
 O      1.736084     -1.335343     -1.257321    0.00   0.000517144  -0.000256518   0.000163548
 C      2.392879     -2.204256     -0.725164    0.00   0.000358976  -0.000077541  -0.000025103
 H      3.379433     -2.581006     -1.001893    0.00   0.000043770  -0.000005909  -0.000006831
 O      1.961493     -2.867450      0.370306    0.00   0.000148629   0.000094648  -0.000136239
