19
 Energy =     -0.0132860968731
 C     -3.156039      0.181172     -0.625108    0.00  -0.000020366  -0.000038067  -0.000004229
 C     -2.457115      1.154565     -0.010420    0.00  -0.000063907  -0.000031624   0.000012642
 C     -1.229515      0.874692      0.754371    0.00  -0.000067131  -0.000003165   0.000034408
 C     -0.826514     -0.549975      0.893310    0.00  -0.000049848  -0.000005950   0.000082778
 C     -1.625614     -1.547602      0.160479    0.00  -0.000006547  -0.000003675   0.000031110
 C     -2.719708     -1.208061     -0.547875    0.00   0.000014621  -0.000029530  -0.000005764
 H      0.398183      1.751367      1.837319    0.00  -0.000007216   0.000002714   0.000001355
 H     -4.060315      0.390592     -1.193675    0.00  -0.000000207  -0.000004947  -0.000001099
 H     -2.768999      2.198273     -0.059267    0.00  -0.000007165  -0.000004578   0.000001354
 C     -0.518859      1.885553      1.281526    0.00  -0.000074512   0.000013324   0.000011122
 C      0.212498     -0.941179      1.650006    0.00  -0.000129898   0.000028837   0.000132597
 H     -1.291447     -2.582606      0.232042    0.00   0.000001610   0.000001905   0.000002869
 H     -3.314367     -1.948446     -1.080874    0.00   0.000007268  -0.000000057  -0.000000784
 H      0.517361     -1.971895      1.758073    0.00  -0.000011079   0.000003615   0.000014215
 S      2.329941     -0.091898     -0.923085    0.00   0.000315483   0.000091976  -0.000170800
 O      2.100049      1.295176     -0.867506    0.00   0.000336249   0.000021837   0.000013580
 O      3.147467     -1.029648     -0.264393    0.00  -0.000212550  -0.000042653  -0.000166304
 H      0.823023     -0.264574      2.230049    0.00  -0.000018362   0.000000253   0.000012074
 H     -0.797536      2.924499      1.180059    0.00  -0.000006442  -0.000000213  -0.000001123
19
 Energy =     -0.0132463182945
 C     -3.154076      0.184450     -0.624494    0.00  -0.000021316  -0.000038749  -0.000005564
 C     -2.451947      1.156738     -0.011710    0.00  -0.000068932  -0.000032715   0.000014887
 C     -1.223830      0.874769      0.751445    0.00  -0.000073724  -0.000003241   0.000039488
 C     -0.821188     -0.550304      0.887219    0.00  -0.000055482  -0.000006075   0.000089204
 C     -1.624976     -1.546881      0.158110    0.00  -0.000007362  -0.000003090   0.000032070
 C     -2.720604     -1.205645     -0.547059    0.00   0.000015949  -0.000029940  -0.000008689
 H      0.404697      1.748744      1.835398    0.00  -0.000007967   0.000002852   0.000002074
 H     -4.058870      0.395457     -1.191644    0.00  -0.000000151  -0.000005046  -0.000001373
 H     -2.761633      2.201103     -0.060833    0.00  -0.000007750  -0.000004739   0.000001637
 C     -0.512580      1.884339      1.280319    0.00  -0.000082375   0.000014375   0.000017928
 C      0.221991     -0.942809      1.637542    0.00  -0.000139819   0.000029653   0.000145251
 H     -1.292914     -2.582559      0.229624    0.00   0.000001711   0.000002017   0.000002896
 H     -3.318605     -1.945302     -1.077358    0.00   0.000007867   0.000000102  -0.000001238
 H      0.526451     -1.973854      1.743518    0.00  -0.000011839   0.000003593   0.000015436
 S      2.321976     -0.095828     -0.915694    0.00   0.000343422   0.000092162  -0.000198713
 O      2.080417      1.289628     -0.867890    0.00   0.000347925   0.000033376   0.000005860
 O      3.155352     -1.020540     -0.258255    0.00  -0.000213400  -0.000054788  -0.000164063
 H      0.836044     -0.267201      2.215021    0.00  -0.000019590   0.000000288   0.000013510
 H     -0.790884      2.923598      1.180883    0.00  -0.000007166  -0.000000035  -0.000000603
19
 Energy =     -0.0132039899703
 C     -3.152133      0.187607     -0.623803    0.00  -0.000022478  -0.000039530  -0.000006849
 C     -2.446710      1.158833     -0.013115    0.00  -0.000074394  -0.000033785   0.000017320
 C     -1.217999      0.874816      0.748286    0.00  -0.000080748  -0.000003015   0.000044816
 C     -0.815761     -0.550657      0.881008    0.00  -0.000061260  -0.000005730   0.000095264
 C     -1.624315     -1.546233      0.155828    0.00  -0.000007943  -0.000002349   0.000032803
 C     -2.721539     -1.203345     -0.546061    0.00   0.000017284  -0.000030332  -0.000011759
 H      0.411543      1.746157      1.832911    0.00  -0.000008821   0.000003026   0.000002865
 H     -4.057501      0.400161     -1.189452    0.00  -0.000000114  -0.000005169  -0.000001640
 H     -2.754180      2.203853     -0.062592    0.00  -0.000008390  -0.000004918   0.000001947
 C     -0.506035      1.883124      1.278650    0.00  -0.000091232   0.000015708   0.000025527
 C      0.231623     -0.944408      1.624861    0.00  -0.000148915   0.000030888   0.000157658
 H     -1.294366     -2.582577      0.227368    0.00   0.000001845   0.000002164   0.000002892
 H     -3.322946     -1.942306     -1.073505    0.00   0.000008456   0.000000239  -0.000001724
 H      0.535647     -1.975781      1.728819    0.00  -0.000012487   0.000003616   0.000016603
 S      2.313716     -0.099625     -0.907993    0.00   0.000371613   0.000092502  -0.000226988
 O      2.061239      1.284212     -0.867796    0.00   0.000360047   0.000043343  -0.000002116
 O      3.162806     -1.011500     -0.252542    0.00  -0.000213746  -0.000067223  -0.000161585
 H      0.849215     -0.269768      2.199695    0.00  -0.000020705   0.000000398   0.000014950
 H     -0.783926      2.922696      1.181144    0.00  -0.000008014   0.000000167   0.000000017
19
 Energy =      -0.013159050634
 C     -3.150190      0.190660     -0.623048    0.00  -0.000023890  -0.000040433  -0.000008054
 C     -2.441388      1.160854     -0.014633    0.00  -0.000080315  -0.000034825   0.000019938
 C     -1.212019      0.874818      0.744907    0.00  -0.000088203  -0.000002442   0.000050392
 C     -0.810263     -0.551057      0.874717    0.00  -0.000067113  -0.000004842   0.000100815
 C     -1.623653     -1.545664      0.153644    0.00  -0.000008270  -0.000001449   0.000033279
 C     -2.722510     -1.201147     -0.544897    0.00   0.000018610  -0.000030720  -0.000014929
 H      0.418749      1.743569      1.829854    0.00  -0.000009790   0.000003239   0.000003740
 H     -4.056178      0.404733     -1.187125    0.00  -0.000000098  -0.000005319  -0.000001899
 H     -2.746611      2.206528     -0.064538    0.00  -0.000009087  -0.000005116   0.000002279
 C     -0.499191      1.881887      1.276514    0.00  -0.000101193   0.000017329   0.000034015
 C      0.241319     -0.946020      1.612047    0.00  -0.000156958   0.000032621   0.000169532
 H     -1.295837     -2.582671      0.225282    0.00   0.000002016   0.000002342   0.000002858
 H     -3.327381     -1.939434     -1.069351    0.00   0.000009031   0.000000348  -0.000002236
 H      0.544852     -1.977727      1.714078    0.00  -0.000013007   0.000003692   0.000017693
 S      2.305202     -0.103277     -0.900026    0.00   0.000399584   0.000092820  -0.000255221
 O      2.042464      1.278942     -0.867266    0.00   0.000372832   0.000051877  -0.000010473
 O      3.169842     -1.002503     -0.247224    0.00  -0.000213466  -0.000080096  -0.000158851
 H      0.862449     -0.272331      2.184182    0.00  -0.000021686   0.000000594   0.000016372
 H     -0.776601      2.921775      1.180813    0.00  -0.000008995   0.000000382   0.000000749
19
 Energy =      -0.013111455695
 C     -3.148231      0.193626     -0.622244    0.00  -0.000025579  -0.000041481  -0.000009158
 C     -2.435962      1.162806     -0.016261    0.00  -0.000086733  -0.000035840   0.000022745
 C     -1.205881      0.874762      0.741321    0.00  -0.000096103  -0.000001489   0.000056220
 C     -0.804724     -0.551526      0.868383    0.00  -0.000072979  -0.000003360   0.000105802
 C     -1.623008     -1.545179      0.151565    0.00  -0.000008320  -0.000000382   0.000033482
 C     -2.723515     -1.199040     -0.543581    0.00   0.000019910  -0.000031127  -0.000018174
 H      0.426351      1.740949      1.826214    0.00  -0.000010884   0.000003493   0.000004706
 H     -4.054875      0.409205     -1.184687    0.00  -0.000000111  -0.000005501  -0.000002147
 H     -2.738897      2.209138     -0.066667    0.00  -0.000009841  -0.000005335   0.000002632
 C     -0.492013      1.880608      1.273899    0.00  -0.000112367   0.000019255   0.000043486
 C      0.251008     -0.947688      1.599186    0.00  -0.000163801   0.000034933   0.000180618
 H     -1.297360     -2.582851      0.223375    0.00   0.000002228   0.000002554   0.000002786
 H     -3.331901     -1.936661     -1.064935    0.00   0.000009590   0.000000424  -0.000002763
 H      0.553968     -1.979742      1.699393    0.00  -0.000013386   0.000003835   0.000018677
 S      2.296476     -0.106773     -0.891837    0.00   0.000427024   0.000092849  -0.000282971
 O      2.024032      1.273828     -0.866328    0.00   0.000386516   0.000059163  -0.000019371
 O      3.176471     -0.993523     -0.242269    0.00  -0.000212523  -0.000093484  -0.000155919
 H      0.875662     -0.274947      2.168598    0.00  -0.000022515   0.000000889   0.000017740
 H     -0.768845      2.920822      1.179857    0.00  -0.000010126   0.000000602   0.000001609
19
 Energy =     -0.0130611665178
 C     -3.146240      0.196521     -0.621401    0.00  -0.000027574  -0.000042699  -0.000010150
 C     -2.430415      1.164694     -0.017999    0.00  -0.000093697  -0.000036832   0.000025757
 C     -1.199576      0.874635      0.737536    0.00  -0.000104461  -0.000000120   0.000062346
 C     -0.799171     -0.552085      0.862042    0.00  -0.000078807  -0.000001244   0.000110177
 C     -1.622399     -1.544785      0.149598    0.00  -0.000008076   0.000000858   0.000033392
 C     -2.724552     -1.197011     -0.542131    0.00   0.000021187  -0.000031574  -0.000021470
 H      0.434383      1.738265      1.821975    0.00  -0.000012114   0.000003791   0.000005772
 H     -4.053566      0.413605     -1.182158    0.00  -0.000000155  -0.000005718  -0.000002384
 H     -2.731009      2.211689     -0.068975    0.00  -0.000010662  -0.000005574   0.000003010
 C     -0.484464      1.879267      1.270790    0.00  -0.000124869   0.000021488   0.000054025
 C      0.260624     -0.949455      1.586363    0.00  -0.000169373   0.000037916   0.000190718
 H     -1.298962     -2.583125      0.221654    0.00   0.000002482   0.000002800   0.000002681
 H     -3.336500     -1.933963     -1.060289    0.00   0.000010133   0.000000466  -0.000003304
 H      0.562906     -1.981872      1.684865    0.00  -0.000013611   0.000004060   0.000019529
 S      2.287576     -0.110100     -0.883471    0.00   0.000453703   0.000092417  -0.000309918
 O      2.005876      1.268875     -0.864997    0.00   0.000401350   0.000065381  -0.000029009
 O      3.182704     -0.984531     -0.237647    0.00  -0.000210853  -0.000107521  -0.000152818
 H      0.888774     -0.277670      2.153053    0.00  -0.000023184   0.000001289   0.000019033
 H     -0.760595      2.919824      1.178237    0.00  -0.000011419   0.000000816   0.000002613
19
 Energy =     -0.0130081360244
 C     -3.144201      0.199359     -0.620532    0.00  -0.000029913  -0.000044119  -0.000011012
 C     -2.424727      1.166521     -0.019847    0.00  -0.000101262  -0.000037807   0.000029008
 C     -1.193095      0.874426      0.733560    0.00  -0.000113318   0.000001688   0.000068807
 C     -0.793629     -0.552752      0.855727    0.00  -0.000084573   0.000001525   0.000113955
 C     -1.621841     -1.544484      0.147751    0.00  -0.000007520   0.000002283   0.000033014
 C     -2.725618     -1.195048     -0.540558    0.00   0.000022457  -0.000032080  -0.000024824
 H      0.442879      1.735491      1.817116    0.00  -0.000013491   0.000004132   0.000006953
 H     -4.052227      0.417960     -1.179559    0.00  -0.000000233  -0.000005972  -0.000002609
 H     -2.722918      2.214187     -0.071461    0.00  -0.000011560  -0.000005836   0.000003417
 C     -0.476511      1.877848      1.267171    0.00  -0.000138816   0.000024037   0.000065724
 C      0.270104     -0.951359      1.573661    0.00  -0.000173682   0.000041653   0.000199712
 H     -1.300672     -2.583500      0.220125    0.00   0.000002783   0.000003081   0.000002539
 H     -3.341169     -1.931318     -1.055447    0.00   0.000010664   0.000000471  -0.000003856
 H      0.571581     -1.984163      1.670588    0.00  -0.000013686   0.000004384   0.000020241
 S      2.278541     -0.113249     -0.874978    0.00   0.000479558   0.000091380  -0.000335848
 O      1.987930      1.264084     -0.863277    0.00   0.000417580   0.000070740  -0.000039617
 O      3.188550     -0.975503     -0.233332    0.00  -0.000208407  -0.000122369  -0.000149596
 H      0.901712     -0.280551      2.137659    0.00  -0.000023699   0.000001796   0.000020226
 H     -0.751790      2.918769      1.175913    0.00  -0.000012883   0.000001013   0.000003768
19
 Energy =     -0.0129522919682
 C     -3.142099      0.202155     -0.619648    0.00  -0.000032623  -0.000045762  -0.000011746
 C     -2.418883      1.168291     -0.021805    0.00  -0.000109512  -0.000038773   0.000032545
 C     -1.186431      0.874123      0.729399    0.00  -0.000122714   0.000003956   0.000075676
 C     -0.788118     -0.553545      0.849470    0.00  -0.000090261   0.000004961   0.000117204
 C     -1.621348     -1.544281      0.146029    0.00  -0.000006656   0.000003892   0.000032335
 C     -2.726713     -1.193142     -0.538875    0.00   0.000023741  -0.000032675  -0.000028245
 H      0.451870      1.732604      1.811618    0.00  -0.000015021   0.000004520   0.000008254
 H     -4.050837      0.422294     -1.176907    0.00  -0.000000348  -0.000006270  -0.000002824
 H     -2.714599      2.216639     -0.074125    0.00  -0.000012542  -0.000006122   0.000003858
 C     -0.468122      1.876335      1.263023    0.00  -0.000154318   0.000026906   0.000078666
 C      0.279392     -0.953436      1.561156    0.00  -0.000176845   0.000046210   0.000207579
 H     -1.302514     -2.583982      0.218794    0.00   0.000003135   0.000003398   0.000002359
 H     -3.345904     -1.928706     -1.050434    0.00   0.000011191   0.000000440  -0.000004424
 H      0.579919     -1.986655      1.656652    0.00  -0.000013623   0.000004817   0.000020807
 S      2.269408     -0.116206     -0.866407    0.00   0.000504694   0.000089679  -0.000360679
 O      1.970134      1.259457     -0.861163    0.00   0.000435471   0.000075412  -0.000051449
 O      3.194015     -0.966415     -0.229295    0.00  -0.000205162  -0.000138187  -0.000146315
 H      0.914410     -0.283636      2.122519    0.00  -0.000024074   0.000002416   0.000021311
 H     -0.742377      2.917646      1.172846    0.00  -0.000014532   0.000001183   0.000005088
19
 Energy =      -0.012893520142
 C     -3.139924      0.204920     -0.618758    0.00  -0.000035743  -0.000047658  -0.000012352
 C     -2.412868      1.170006     -0.023875    0.00  -0.000118529  -0.000039747   0.000036424
 C     -1.179577      0.873719      0.725059    0.00  -0.000132718   0.000006686   0.000083033
 C     -0.782658     -0.554479      0.843300    0.00  -0.000095885   0.000009055   0.000120043
 C     -1.620932     -1.544179      0.144439    0.00  -0.000005491   0.000005686   0.000031366
 C     -2.727834     -1.191283     -0.537092    0.00   0.000025072  -0.000033379  -0.000031785
 H      0.461377      1.729585      1.805467    0.00  -0.000016713   0.000004955   0.000009689
 H     -4.049377      0.426626     -1.174219    0.00  -0.000000507  -0.000006614  -0.000003029
 H     -2.706029      2.219048     -0.076969    0.00  -0.000013620  -0.000006431   0.000004343
 C     -0.459274      1.874717      1.258333    0.00  -0.000171466   0.000030109   0.000092924
 C      0.288439     -0.955717      1.548918    0.00  -0.000179070   0.000051645   0.000214408
 H     -1.304508     -2.584577      0.217667    0.00   0.000003539   0.000003749   0.000002140
 H     -3.350700     -1.926111     -1.045276    0.00   0.000011724   0.000000371  -0.000005013
 H      0.587858     -1.989381      1.643136    0.00  -0.000013442   0.000005368   0.000021240
 S      2.260208     -0.118962     -0.857805    0.00   0.000529390   0.000087318  -0.000384476
 O      1.952436      1.254995     -0.858642    0.00   0.000455283   0.000079557  -0.000064764
 O      3.199104     -0.957251     -0.225514    0.00  -0.000201119  -0.000155133  -0.000143053
 H      0.926811     -0.286966      2.107725    0.00  -0.000024336   0.000003148   0.000022284
 H     -0.732313      2.916446      1.169002    0.00  -0.000016371   0.000001315   0.000006579
19
 Energy =     -0.0128316498905
 C     -3.137665      0.207661     -0.617872    0.00  -0.000039308  -0.000049838  -0.000012845
 C     -2.406674      1.171668     -0.026060    0.00  -0.000128406  -0.000040735   0.000040722
 C     -1.172534      0.873206      0.720546    0.00  -0.000143406   0.000009869   0.000090963
 C     -0.777264     -0.555562      0.837241    0.00  -0.000101486   0.000013773   0.000122630
 C     -1.620603     -1.544178      0.142987    0.00  -0.000004030   0.000007660   0.000030111
 C     -2.728980     -1.189464     -0.535216    0.00   0.000026477  -0.000034215  -0.000035500
 H      0.471413      1.726421      1.798653    0.00  -0.000018567   0.000005441   0.000011267
 H     -4.047832      0.430972     -1.171511    0.00  -0.000000712  -0.000007007  -0.000003229
 H     -2.697192      2.221418     -0.079998    0.00  -0.000014808  -0.000006762   0.000004883
 C     -0.449953      1.872985      1.253093    0.00  -0.000190329   0.000033668   0.000108560
 C      0.297208     -0.958224      1.537008    0.00  -0.000180650   0.000057989   0.000220392
 H     -1.306670     -2.585287      0.216752    0.00   0.000003998   0.000004132   0.000001880
 H     -3.355552     -1.923520     -1.039990    0.00   0.000012274   0.000000264  -0.000005634
 H      0.595347     -1.992367      1.630106    0.00  -0.000013172   0.000006040   0.000021562
 S      2.250972     -0.121509     -0.849221    0.00   0.000554071   0.000084360  -0.000407454
 O      1.934798      1.250698     -0.855700    0.00   0.000477274   0.000083318  -0.000079813
 O      3.203819     -0.947999     -0.221967    0.00  -0.000196293  -0.000173355  -0.000139895
 H      0.938868     -0.290571      2.093360    0.00  -0.000024520   0.000003989   0.000023154
 H     -0.721572      2.915163      1.164355    0.00  -0.000018406   0.000001407   0.000008246
19
 Energy =      -0.012766444238
 C     -3.135316      0.210384     -0.616998    0.00  -0.000043369  -0.000052332  -0.000013229
 C     -2.400295      1.173278     -0.028362    0.00  -0.000139230  -0.000041745   0.000045507
 C     -1.165302      0.872578      0.715868    0.00  -0.000154867   0.000013479   0.000099536
 C     -0.771951     -0.556801      0.831313    0.00  -0.000107124   0.000019068   0.000125161
 C     -1.620367     -1.544279      0.141678    0.00  -0.000002306   0.000009802   0.000028576
 C     -2.730151     -1.187679     -0.533254    0.00   0.000027994  -0.000035209  -0.000039464
 H      0.481974      1.723102      1.791183    0.00  -0.000020583   0.000005981   0.000012998
 H     -4.046187      0.435342     -1.168799    0.00  -0.000000966  -0.000007452  -0.000003426
 H     -2.688079      2.223748     -0.083216    0.00  -0.000016115  -0.000007115   0.000005485
 C     -0.440160      1.871131      1.247303    0.00  -0.000210952   0.000037620   0.000125627
 C      0.305671     -0.960972      1.525471    0.00  -0.000181933   0.000065254   0.000225817
 H     -1.309011     -2.586111      0.216053    0.00   0.000004515   0.000004545   0.000001575
 H     -3.360457     -1.920922     -1.034589    0.00   0.000012852   0.000000121  -0.000006303
 H      0.602357     -1.995627      1.617611    0.00  -0.000012847   0.000006830   0.000021804
 S      2.241727     -0.123842     -0.840697    0.00   0.000579280   0.000080908  -0.000429945
 O      1.917194      1.246567     -0.852322    0.00   0.000501673   0.000086841  -0.000096821
 O      3.208163     -0.938653     -0.218634    0.00  -0.000190712  -0.000192994  -0.000136936
 H      0.950546     -0.294473      2.079488    0.00  -0.000024669   0.000004935   0.000023942
 H     -0.710145      2.913790      1.158892    0.00  -0.000020641   0.000001463   0.000010096
19
 Energy =     -0.0126975963052
 C     -3.132873      0.213093     -0.616144    0.00  -0.000047954  -0.000055155  -0.000013531
 C     -2.393732      1.174837     -0.030781    0.00  -0.000151098  -0.000042792   0.000050859
 C     -1.157892      0.871835      0.711035    0.00  -0.000167192   0.000017476   0.000108812
 C     -0.766726     -0.558197      0.825530    0.00  -0.000112891   0.000024878   0.000127833
 C     -1.620228     -1.544479      0.140515    0.00  -0.000000338   0.000012099   0.000026771
 C     -2.731344     -1.185925     -0.531210    0.00   0.000029641  -0.000036389  -0.000043761
 H      0.493042      1.719626      1.783074    0.00  -0.000022756   0.000006581   0.000014894
 H     -4.044435      0.439741     -1.166098    0.00  -0.000001278  -0.000007950  -0.000003625
 H     -2.678687      2.226038     -0.086628    0.00  -0.000017556  -0.000007487   0.000006168
 C     -0.429905      1.869154      1.240975    0.00  -0.000233338   0.000042008   0.000144149
 C      0.313813     -0.963966      1.514337    0.00  -0.000183301   0.000073421   0.000231047
 H     -1.311537     -2.587047      0.215576    0.00   0.000005091   0.000004982   0.000001224
 H     -3.365409     -1.918312     -1.029084    0.00   0.000013472  -0.000000059  -0.000007031
 H      0.608876     -1.999166      1.605676    0.00  -0.000012503   0.000007729   0.000022011
 S      2.232496     -0.125960     -0.832272    0.00   0.000605647   0.000077098  -0.000452356
 O      1.899612      1.242602     -0.848495    0.00   0.000528685   0.000090232  -0.000115971
 O      3.212138     -0.929216     -0.215496    0.00  -0.000184432  -0.000214142  -0.000134293
 H      0.961825     -0.298678      2.066152    0.00  -0.000024825   0.000005981   0.000024675
 H     -0.698042      2.912323      1.152619    0.00  -0.000023073   0.000001490   0.000012125
19
 Energy =     -0.0126247323101
 C     -3.130334      0.215788     -0.615315    0.00  -0.000053107  -0.000058324  -0.000013766
 C     -2.386988      1.176344     -0.033320    0.00  -0.000164081  -0.000043883   0.000056848
 C     -1.150316      0.870978      0.706058    0.00  -0.000180480   0.000021807   0.000118840
 C     -0.761595     -0.559745      0.819902    0.00  -0.000118891   0.000031125   0.000130833
 C     -1.620187     -1.544773      0.139501    0.00   0.000001833   0.000014527   0.000024713
 C     -2.732559     -1.184199     -0.529087    0.00   0.000031442  -0.000037776  -0.000048482
 H      0.504586      1.715995      1.774359    0.00  -0.000025072   0.000007245   0.000016956
 H     -4.042570      0.444170     -1.163423    0.00  -0.000001651  -0.000008502  -0.000003827
 H     -2.669023      2.228289     -0.090239    0.00  -0.000019139  -0.000007875   0.000006939
 C     -0.419215      1.867055      1.234130    0.00  -0.000257456   0.000046887   0.000164126
 C      0.321633     -0.967202      1.503617    0.00  -0.000185137   0.000082451   0.000236499
 H     -1.314245     -2.588090      0.215324    0.00   0.000005725   0.000005439   0.000000822
 H     -3.370405     -1.915687     -1.023479    0.00   0.000014144  -0.000000275  -0.000007838
 H      0.614910     -2.002977      1.594303    0.00  -0.000012180   0.000008721   0.000022232
 S      2.223296     -0.127866     -0.823976    0.00   0.000633842   0.000073077  -0.000475132
 O      1.882053      1.238801     -0.844214    0.00   0.000558447   0.000093624  -0.000137402
 O      3.215746     -0.919693     -0.212537    0.00  -0.000177504  -0.000236894  -0.000132089
 H      0.972701     -0.303186      2.053372    0.00  -0.000025030   0.000007120   0.000025389
 H     -0.685294      2.910761      1.145555    0.00  -0.000025703   0.000001505   0.000014339
19
 Energy =       -0.01254742014
 C     -3.127702      0.218470     -0.614518    0.00  -0.000058853  -0.000061859  -0.000013946
 C     -2.380075      1.177799     -0.035977    0.00  -0.000178253  -0.000045026   0.000063539
 C     -1.142591      0.870009      0.700950    0.00  -0.000194811   0.000026420   0.000129639
 C     -0.756557     -0.561437      0.814429    0.00  -0.000125244   0.000037739   0.000134344
 C     -1.620238     -1.545154      0.138636    0.00   0.000004152   0.000017063   0.000022403
 C     -2.733792     -1.182497     -0.526886    0.00   0.000033414  -0.000039389  -0.000053714
 H      0.516559      1.712216      1.765087    0.00  -0.000027520   0.000007978   0.000019191
 H     -4.040588      0.448626     -1.160785    0.00  -0.000002085  -0.000009108  -0.000004039
 H     -2.659099      2.230498     -0.094050    0.00  -0.000020873  -0.000008275   0.000007809
 C     -0.408127      1.864835      1.226802    0.00  -0.000283243   0.000052311   0.000185538
 C      0.329144     -0.970667      1.493304    0.00  -0.000187801   0.000092276   0.000242608
 H     -1.317130     -2.589229      0.215299    0.00   0.000006417   0.000005911   0.000000368
 H     -3.375440     -1.913046     -1.017775    0.00   0.000014880  -0.000000524  -0.000008739
 H      0.620487     -2.007044      1.583471    0.00  -0.000011911   0.000009788   0.000022518
 S      2.214139     -0.129569     -0.815832    0.00   0.000664512   0.000068983  -0.000498746
 O      1.864525      1.235160     -0.839481    0.00   0.000591050   0.000097130  -0.000161181
 O      3.218992     -0.910096     -0.209736    0.00  -0.000169982  -0.000261293  -0.000130451
 H      0.983182     -0.307982      2.041146    0.00  -0.000025325   0.000008347   0.000026129
 H     -0.671946      2.909104      1.137738    0.00  -0.000028523   0.000001527   0.000016731
19
 Energy =     -0.0124651813519
 C     -3.124979      0.221136     -0.613755    0.00  -0.000065206  -0.000065756  -0.000014106
 C     -2.373003      1.179204     -0.038752    0.00  -0.000193673  -0.000046229   0.000071006
 C     -1.134738      0.868935      0.695726    0.00  -0.000210245   0.000031260   0.000141200
 C     -0.751611     -0.563261      0.809107    0.00  -0.000132088   0.000044638   0.000138533
 C     -1.620377     -1.545615      0.137917    0.00   0.000006575   0.000019679   0.000019860
 C     -2.735040     -1.180819     -0.524607    0.00   0.000035573  -0.000041248  -0.000059559
 H      0.528906      1.708300      1.755318    0.00  -0.000030082   0.000008782   0.000021592
 H     -4.038490      0.453103     -1.158195    0.00  -0.000002582  -0.000009765  -0.000004260
 H     -2.648931      2.232662     -0.098066    0.00  -0.000022766  -0.000008686   0.000008793
 C     -0.396685      1.862503      1.219032    0.00  -0.000310611   0.000058332   0.000208342
 C      0.336369     -0.974340      1.483373    0.00  -0.000191617   0.000102820   0.000249833
 H     -1.320179     -2.590455      0.215499    0.00   0.000007162   0.000006389  -0.000000138
 H     -3.380508     -1.910391     -1.011967    0.00   0.000015687  -0.000000807  -0.000009749
 H      0.625650     -2.011342      1.573135    0.00  -0.000011735   0.000010910   0.000022924
 S      2.205033     -0.131082     -0.807855    0.00   0.000698279   0.000064996  -0.000523646
 O      1.847043      1.231675     -0.834305    0.00   0.000626515   0.000100827  -0.000187331
 O      3.221886     -0.900436     -0.207077    0.00  -0.000161921  -0.000287373  -0.000129515
 H      0.993292     -0.313045      2.029453    0.00  -0.000025741   0.000009651   0.000026922
 H     -0.658060      2.907354      1.129219    0.00  -0.000031523   0.000001580   0.000019297
19
 Energy =     -0.0123775039194
 C     -3.122172      0.223785     -0.613029    0.00  -0.000072168  -0.000069998  -0.000014257
 C     -2.365788      1.180559     -0.041641    0.00  -0.000210364  -0.000047506   0.000079268
 C     -1.126776      0.867764      0.690401    0.00  -0.000226856   0.000036265   0.000153565
 C     -0.746748     -0.565201      0.803926    0.00  -0.000139558   0.000051748   0.000143541
 C     -1.620593     -1.546144      0.137341    0.00   0.000009034   0.000022342   0.000017100
 C     -2.736303     -1.179161     -0.522249    0.00   0.000037930  -0.000043366  -0.000066102
 H      0.541564      1.704257      1.745124    0.00  -0.000032736   0.000009665   0.000024154
 H     -4.036279      0.457595     -1.155660    0.00  -0.000003137  -0.000010472  -0.000004494
 H     -2.638539      2.234782     -0.102287    0.00  -0.000024818  -0.000009107   0.000009895
 C     -0.384939      1.860065      1.210869    0.00  -0.000339446   0.000064992   0.000232444
 C      0.343342     -0.978198      1.473784    0.00  -0.000196890   0.000113983   0.000258602
 H     -1.323377     -2.591754      0.215919    0.00   0.000007955   0.000006869  -0.000000697
 H     -3.385607     -1.907724     -1.006049    0.00   0.000016579  -0.000001116  -0.000010888
 H      0.630456     -2.015841      1.563231    0.00  -0.000011677   0.000012069   0.000023509
 S      2.195977     -0.132421     -0.800048    0.00   0.000735650   0.000061210  -0.000550312
 O      1.829627      1.228337     -0.828706    0.00   0.000664793   0.000104904  -0.000215823
 O      3.224435     -0.890727     -0.204538    0.00  -0.000153290  -0.000315187  -0.000129378
 H      1.003062     -0.318348      2.018253    0.00  -0.000026300   0.000011033   0.000027836
 H     -0.643701      2.905511      1.120057    0.00  -0.000034700   0.000001671   0.000022038
19
 Energy =     -0.0122838532574
 C     -3.119287      0.226414     -0.612337    0.00  -0.000079685  -0.000074565  -0.000014493
 C     -2.358444      1.181866     -0.044645    0.00  -0.000228374  -0.000048862   0.000088433
 C     -1.118726      0.866503      0.684989    0.00  -0.000244665   0.000041409   0.000166688
 C     -0.741958     -0.567241      0.798872    0.00  -0.000147770   0.000059022   0.000149523
 C     -1.620876     -1.546732      0.136900    0.00   0.000011430   0.000025009   0.000014176
 C     -2.737576     -1.177523     -0.519809    0.00   0.000040510  -0.000045761  -0.000073459
 H      0.554466      1.700103      1.734581    0.00  -0.000035456   0.000010626   0.000026855
 H     -4.033961      0.462093     -1.153183    0.00  -0.000003750  -0.000011225  -0.000004747
 H     -2.627943      2.236855     -0.106715    0.00  -0.000027042  -0.000009539   0.000011137
 C     -0.372941      1.857530      1.202364    0.00  -0.000369655   0.000072305   0.000257798
 C      0.350103     -0.982212      1.464483    0.00  -0.000203890   0.000125661   0.000269374
 H     -1.326703     -2.593114      0.216549    0.00   0.000008792   0.000007339  -0.000001308
 H     -3.390735     -1.905048     -1.000011    0.00   0.000017568  -0.000001453  -0.000012172
 H      0.634968     -2.020510      1.553682    0.00  -0.000011764   0.000013249   0.000024317
 S      2.186970     -0.133607     -0.792408    0.00   0.000777184   0.000057813  -0.000579218
 O      1.812296      1.225136     -0.822707    0.00   0.000705747   0.000109405  -0.000246610
 O      3.226652     -0.880982     -0.202103    0.00  -0.000144121  -0.000344741  -0.000130132
 H      1.012532     -0.323860      2.007496    0.00  -0.000027021   0.000012486   0.000028895
 H     -0.628940      2.903582      1.110318    0.00  -0.000038039   0.000001823   0.000024944
19
 Energy =     -0.0121836794555
 C     -3.116333      0.229022     -0.611678    0.00  -0.000087726  -0.000079421  -0.000014858
 C     -2.350985      1.183127     -0.047759    0.00  -0.000247710  -0.000050310   0.000098518
 C     -1.110609      0.865163      0.679503    0.00  -0.000263716   0.000046619   0.000180643
 C     -0.737230     -0.569364      0.793924    0.00  -0.000156901   0.000066381   0.000156634
 C     -1.621212     -1.547367      0.136584    0.00   0.000013714   0.000027660   0.000011126
 C     -2.738860     -1.175903     -0.517282    0.00   0.000043347  -0.000048434  -0.000081754
 H      0.567545      1.695853      1.723771    0.00  -0.000038222   0.000011664   0.000029675
 H     -4.031548      0.466588     -1.150761    0.00  -0.000004398  -0.000012017  -0.000005039
 H     -2.617165      2.238880     -0.111352    0.00  -0.000029432  -0.000009981   0.000012519
 C     -0.360743      1.854909      1.193568    0.00  -0.000401118   0.000080292   0.000284318
 C      0.356696     -0.986354      1.455414    0.00  -0.000212842   0.000137761   0.000282574
 H     -1.330135     -2.594518      0.217378    0.00   0.000009653   0.000007793  -0.000001948
 H     -3.395890     -1.902365     -0.993837    0.00   0.000018661  -0.000001812  -0.000013621
 H      0.639258     -2.025313      1.544399    0.00  -0.000012034   0.000014433   0.000025411
 S      2.178004     -0.134659     -0.784925    0.00   0.000823267   0.000054986  -0.000610826
 O      1.795073      1.222063     -0.816337    0.00   0.000749269   0.000114412  -0.000279639
 O      3.228550     -0.871210     -0.199752    0.00  -0.000134360  -0.000376069  -0.000131893
 H      1.021742     -0.329550      1.997124    0.00  -0.000027918   0.000014005   0.000030138
 H     -0.613848      2.901569      1.100067    0.00  -0.000041533   0.000002038   0.000028019
19
 Energy =     -0.0120764195104
 C     -3.113321      0.231604     -0.611043    0.00  -0.000096173  -0.000084523  -0.000015501
 C     -2.343427      1.184343     -0.050983    0.00  -0.000268403  -0.000051854   0.000109610
 C     -1.102441      0.863754      0.673952    0.00  -0.000284036   0.000051882   0.000195477
 C     -0.732549     -0.571551      0.789060    0.00  -0.000167071   0.000073775   0.000165065
 C     -1.621587     -1.548039      0.136383    0.00   0.000015743   0.000030247   0.000008047
 C     -2.740154     -1.174298     -0.514663    0.00   0.000046490  -0.000051392  -0.000091125
 H      0.580736      1.691523      1.712776    0.00  -0.000041012   0.000012777   0.000032590
 H     -4.029050      0.471072     -1.148387    0.00  -0.000005073  -0.000012843  -0.000005378
 H     -2.606225      2.240857     -0.116199    0.00  -0.000031996  -0.000010435   0.000014065
 C     -0.348393      1.852211      1.184531    0.00  -0.000433763   0.000088934   0.000311974
 C      0.363167     -0.990594      1.446510    0.00  -0.000223997   0.000150176   0.000298655
 H     -1.333648     -2.595955      0.218386    0.00   0.000010535   0.000008220  -0.000002621
 H     -3.401075     -1.899680     -0.987509    0.00   0.000019876  -0.000002189  -0.000015263
 H      0.643396     -2.030219      1.535289    0.00  -0.000012512   0.000015615   0.000026844
 S      2.169069     -0.135601     -0.777584    0.00   0.000874371   0.000052914  -0.000645675
 O      1.777976      1.219107     -0.809627    0.00   0.000795170   0.000119964  -0.000314903
 O      3.230144     -0.861422     -0.197466    0.00  -0.000123982  -0.000409178  -0.000134713
 H      1.030736     -0.335386      1.987080    0.00  -0.000028996   0.000015589   0.000031588
 H     -0.598490      2.899479      1.089368    0.00  -0.000045171   0.000002324   0.000031265
19
 Energy =     -0.0119614938324
 C     -3.110263      0.234158     -0.610424    0.00  -0.000104909  -0.000089824  -0.000016594
 C     -2.335785      1.185517     -0.054315    0.00  -0.000290463  -0.000053498   0.000121787
 C     -1.094239      0.862285      0.668344    0.00  -0.000305668   0.000057155   0.000211295
 C     -0.727900     -0.573787      0.784256    0.00  -0.000178446   0.000081157   0.000175026
 C     -1.621987     -1.548736      0.136281    0.00   0.000017404   0.000032737   0.000005063
 C     -2.741459     -1.172708     -0.511944    0.00   0.000050011  -0.000054635  -0.000101759
 H      0.593973      1.687130      1.701678    0.00  -0.000043804   0.000013955   0.000035566
 H     -4.026488      0.475535     -1.146045    0.00  -0.000005753  -0.000013696  -0.000005795
 H     -2.595142      2.242785     -0.121262    0.00  -0.000034738  -0.000010899   0.000015787
 C     -0.335936      1.849448      1.175298    0.00  -0.000467545   0.000098206   0.000340791
 C      0.369563     -0.994906      1.437707    0.00  -0.000237575   0.000162819   0.000318074
 H     -1.337214     -2.597408      0.219552    0.00   0.000011412   0.000008608  -0.000003296
 H     -3.406293     -1.896997     -0.981008    0.00   0.000021225  -0.000002582  -0.000017122
 H      0.647451     -2.035195      1.526257    0.00  -0.000013233   0.000016785   0.000028673
 S      2.160155     -0.136454     -0.770365    0.00   0.000930928   0.000051834  -0.000684360
 O      1.761028      1.216260     -0.802607    0.00   0.000843291   0.000126076  -0.000352459
 O      3.231446     -0.851628     -0.195230    0.00  -0.000112919  -0.000444106  -0.000138648
 H      1.039552     -0.341341      1.977304    0.00  -0.000030262   0.000017231   0.000033272
 H     -0.582930      2.897318      1.078277    0.00  -0.000048955   0.000002676   0.000034700
19
 Energy =     -0.0118382969579
 C     -3.107175      0.236681     -0.609807    0.00  -0.000113784  -0.000095267  -0.000018347
 C     -2.328070      1.186650     -0.057755    0.00  -0.000313909  -0.000055242   0.000135135
 C     -1.086018      0.860766      0.662683    0.00  -0.000328678   0.000062408   0.000228258
 C     -0.723270     -0.576054      0.779486    0.00  -0.000191203   0.000088482   0.000186767
 C     -1.622394     -1.549448      0.136261    0.00   0.000018548   0.000035104   0.000002327
 C     -2.742777     -1.171132     -0.509115    0.00   0.000053987  -0.000058165  -0.000113853
 H      0.607195      1.682693      1.690556    0.00  -0.000046583   0.000015190   0.000038570
 H     -4.023883      0.479966     -1.143711    0.00  -0.000006405  -0.000014568  -0.000006325
 H     -2.583935      2.244662     -0.126542    0.00  -0.000037660  -0.000011373   0.000017697
 C     -0.323414      1.846631      1.165909    0.00  -0.000502473   0.000108068   0.000370893
 C      0.375925     -0.999262      1.428940    0.00  -0.000253819   0.000175598   0.000341333
 H     -1.340803     -2.598866      0.220848    0.00   0.000012267   0.000008948  -0.000003956
 H     -3.411550     -1.894319     -0.974308    0.00   0.000022729  -0.000002988  -0.000019237
 H      0.651493     -2.040211      1.517208    0.00  -0.000014226   0.000017940   0.000030959
 S      2.151249     -0.137240     -0.763246    0.00   0.000993415   0.000052004  -0.000727561
 O      1.744248      1.213513     -0.795306    0.00   0.000893497   0.000132734  -0.000392484
 O      3.232472     -0.841836     -0.193029    0.00  -0.000101096  -0.000480897  -0.000143727
 H      1.048226     -0.347385      1.967746    0.00  -0.000031722   0.000018933   0.000035209
 H     -0.567222      2.895094      1.066842    0.00  -0.000052883   0.000003092   0.000038343
19
 Energy =     -0.0117061826716
 C     -3.104074      0.239168     -0.609175    0.00  -0.000122619  -0.000100801  -0.000021041
 C     -2.320300      1.187742     -0.061300    0.00  -0.000338759  -0.000057078   0.000149749
 C     -1.077789      0.859206      0.656971    0.00  -0.000353147   0.000067621   0.000246594
 C     -0.718642     -0.578336      0.774720    0.00  -0.000205527   0.000095723   0.000200588
 C     -1.622793     -1.550166      0.136306    0.00   0.000019008   0.000037307   0.000000018
 C     -2.744112     -1.169569     -0.506167    0.00   0.000058513  -0.000061985  -0.000127640
 H      0.620345      1.678232      1.679484    0.00  -0.000049342   0.000016470   0.000041574
 H     -4.021262      0.484355     -1.141356    0.00  -0.000007001  -0.000015451  -0.000007016
 H     -2.572625      2.246488     -0.132043    0.00  -0.000040767  -0.000011853   0.000019820
 C     -0.310865      1.843772      1.156399    0.00  -0.000538630   0.000118461   0.000402498
 C      0.382295     -1.003637      1.420145    0.00  -0.000272993   0.000188435   0.000368961
 H     -1.344382     -2.600314      0.222240    0.00   0.000013074   0.000009233  -0.000004562
 H     -3.416850     -1.891650     -0.967386    0.00   0.000024402  -0.000003407  -0.000021644
 H      0.655582     -2.045239      1.508051    0.00  -0.000015531   0.000019079   0.000033770
 S      2.142339     -0.137980     -0.756203    0.00   0.001062394   0.000053743  -0.000776031
 O      1.727660      1.210860     -0.787750    0.00   0.000945699   0.000139890  -0.000435314
 O      3.233235     -0.832057     -0.190850    0.00  -0.000088430  -0.000519636  -0.000149971
 H      1.056786     -0.353494      1.958361    0.00  -0.000033374   0.000020691   0.000037407
 H     -0.551417      2.892813      1.055101    0.00  -0.000056970   0.000003558   0.000042241
19
 Energy =     -0.0115644441034
 C     -3.100979      0.241615     -0.608507    0.00  -0.000131226  -0.000106380  -0.000024986
 C     -2.312488      1.188795     -0.064950    0.00  -0.000365031  -0.000058986   0.000165728
 C     -1.069565      0.857615      0.651207    0.00  -0.000379179   0.000072794   0.000266567
 C     -0.714004     -0.580620      0.769932    0.00  -0.000221617   0.000102837   0.000216825
 C     -1.623165     -1.550881      0.136394    0.00   0.000018602   0.000039322  -0.000001669
 C     -2.745467     -1.168019     -0.503087    0.00   0.000063679  -0.000066102  -0.000143369
 H      0.633368      1.673769      1.668532    0.00  -0.000052085   0.000017780   0.000044554
 H     -4.018656      0.488690     -1.138944    0.00  -0.000007507  -0.000016338  -0.000007914
 H     -2.561233      2.248260     -0.137768    0.00  -0.000044063  -0.000012333   0.000022168
 C     -0.298323      1.840885      1.146794    0.00  -0.000576183   0.000129318   0.000435981
 C      0.388710     -1.008006      1.411264    0.00  -0.000295387   0.000201259   0.000401552
 H     -1.347916     -2.601741      0.223692    0.00   0.000013803   0.000009451  -0.000005084
 H     -3.422202     -1.888997     -0.960214    0.00   0.000026260  -0.000003839  -0.000024390
 H      0.659778     -2.050252      1.498698    0.00  -0.000017182   0.000020203   0.000037181
 S      2.133415     -0.138693     -0.749212    0.00   0.001138520   0.000057380  -0.000830652
 O      1.711285      1.208298     -0.779957    0.00   0.000999885   0.000147484  -0.000481457
 O      3.233748     -0.822301     -0.188684    0.00  -0.000074826  -0.000560418  -0.000157371
 H      1.065255     -0.359646      1.949111    0.00  -0.000035229   0.000022507   0.000039882
 H     -0.535558      2.890487      1.043082    0.00  -0.000061235   0.000004063   0.000046452
19
 Energy =     -0.0114122898697
 C     -3.097911      0.244016     -0.607783    0.00  -0.000139430  -0.000111968  -0.000030538
 C     -2.304651      1.189809     -0.068701    0.00  -0.000392732  -0.000060937   0.000183169
 C     -1.061357      0.856002      0.645387    0.00  -0.000406899   0.000077918   0.000288479
 C     -0.709344     -0.582889      0.765094    0.00  -0.000239674   0.000109810   0.000235828
 C     -1.623493     -1.551585      0.136503    0.00   0.000017147   0.000041121  -0.000002515
 C     -2.746846     -1.166483     -0.499866    0.00   0.000069562  -0.000070530  -0.000161283
 H      0.646215      1.669327      1.657761    0.00  -0.000054824   0.000019101   0.000047495
 H     -4.016099      0.492958     -1.136432    0.00  -0.000007887  -0.000017226  -0.000009078
 H     -2.549782      2.249975     -0.143716    0.00  -0.000047549  -0.000012799   0.000024756
 C     -0.285816      1.837984      1.137112    0.00  -0.000615397   0.000140563   0.000471879
 C      0.395203     -1.012347      1.402242    0.00  -0.000321343   0.000214007   0.000439793
 H     -1.351371     -2.603135      0.225163    0.00   0.000014427   0.000009602  -0.000005496
 H     -3.427611     -1.886364     -0.952768    0.00   0.000028317  -0.000004291  -0.000027525
 H      0.664135     -2.055224      1.489067    0.00  -0.000019231   0.000021316   0.000041282
 S      2.124467     -0.139398     -0.742251    0.00   0.001222629   0.000063323  -0.000892371
 O      1.695148      1.205823     -0.771942    0.00   0.001056103   0.000155419  -0.000531646
 O      3.234025     -0.812581     -0.186523    0.00  -0.000060212  -0.000603397  -0.000165914
 H      1.073649     -0.365818      1.939971    0.00  -0.000037288   0.000024377   0.000042620
 H     -0.519684      2.888125      1.030797    0.00  -0.000065719   0.000004589   0.000051065
19
 Energy =     -0.0112488173723
 C     -3.094893      0.246365     -0.606978    0.00  -0.000147092  -0.000117570  -0.000038029
 C     -2.296809      1.190782     -0.072549    0.00  -0.000421834  -0.000062877   0.000202102
 C     -1.053177      0.854374      0.639508    0.00  -0.000436424   0.000083028   0.000312671
 C     -0.704651     -0.585129      0.760183    0.00  -0.000259866   0.000116627   0.000257912
 C     -1.623759     -1.552269      0.136611    0.00   0.000014470   0.000042675  -0.000002339
 C     -2.748251     -1.164963     -0.496495    0.00   0.000076194  -0.000075274  -0.000181623
 H      0.658839      1.664934      1.647224    0.00  -0.000057590   0.000020418   0.000050396
 H     -4.013627      0.497148     -1.133777    0.00  -0.000008113  -0.000018111  -0.000010564
 H     -2.538302      2.251629     -0.149881    0.00  -0.000051221  -0.000013236   0.000027583
 C     -0.273370      1.835082      1.127365    0.00  -0.000656664   0.000152113   0.000510928
 C      0.401803     -1.016638      1.393029    0.00  -0.000351269   0.000226616   0.000484449
 H     -1.354709     -2.604487      0.226612    0.00   0.000014921   0.000009684  -0.000005763
 H     -3.433077     -1.883759     -0.945028    0.00   0.000030568  -0.000004771  -0.000031088
 H      0.668699     -2.060131      1.479078    0.00  -0.000021728   0.000022420   0.000046177
 S      2.115486     -0.140114     -0.735296    0.00   0.001315627   0.000072071  -0.000962259
 O      1.679275      1.203438     -0.763714    0.00   0.001114514   0.000163556  -0.000586840
 O      3.234078     -0.802909     -0.184363    0.00  -0.000044455  -0.000648786  -0.000175544
 H      1.081976     -0.371991      1.930922    0.00  -0.000039566   0.000026303   0.000045632
 H     -0.503824      2.885738      1.018248    0.00  -0.000070474   0.000005112   0.000056200
19
 Energy =     -0.0110729850737
 C     -3.091947      0.248656     -0.606070    0.00  -0.000154131  -0.000123181  -0.000047780
 C     -2.288984      1.191714     -0.076485    0.00  -0.000452259  -0.000064739   0.000222511
 C     -1.045039      0.852741      0.633567    0.00  -0.000467853   0.000088152   0.000339427
 C     -0.699920     -0.587328      0.755177    0.00  -0.000282333   0.000123272   0.000283356
 C     -1.623948     -1.552927      0.136698    0.00   0.000010447   0.000043960  -0.000001018
 C     -2.749684     -1.163460     -0.492967    0.00   0.000083540  -0.000080367  -0.000204543
 H      0.671202      1.660615      1.636964    0.00  -0.000060419   0.000021715   0.000053270
 H     -4.011275      0.501245     -1.130937    0.00  -0.000008163  -0.000018996  -0.000012422
 H     -2.526827      2.253218     -0.156248    0.00  -0.000055065  -0.000013619   0.000030642
 C     -0.261007      1.832197      1.117554    0.00  -0.000700511   0.000163901   0.000554092
 C      0.408535     -1.020856      1.383579    0.00  -0.000385643   0.000239020   0.000536415
 H     -1.357896     -2.605786      0.228000    0.00   0.000015266   0.000009704  -0.000005877
 H     -3.438599     -1.881186     -0.936980    0.00   0.000032998  -0.000005296  -0.000035119
 H      0.673516     -2.064950      1.468660    0.00  -0.000024739   0.000023522   0.000051993
 S      2.106468     -0.140856     -0.728329    0.00   0.001418653   0.000084108  -0.001041447
 O      1.663691      1.201142     -0.755274    0.00   0.001175331   0.000171785  -0.000648224
 O      3.233920     -0.793301     -0.182203    0.00  -0.000027461  -0.000696830  -0.000186201
 H      1.090238     -0.378148      1.921955    0.00  -0.000042079   0.000028286   0.000048905
 H     -0.488001      2.883338      1.005418    0.00  -0.000075582   0.000005603   0.000062020
19
 Energy =     -0.0108835856699
 C     -3.089092      0.250882     -0.605040    0.00  -0.000160542  -0.000128853  -0.000060009
 C     -2.281200      1.192602     -0.080493    0.00  -0.000483862  -0.000066425   0.000244258
 C     -1.036959      0.851109      0.627564    0.00  -0.000501227   0.000093370   0.000368937
 C     -0.695149     -0.589473      0.750064    0.00  -0.000307113   0.000129714   0.000312327
 C     -1.624046     -1.553554      0.136746    0.00   0.000005029   0.000044949   0.000001461
 C     -2.751142     -1.161975     -0.489282    0.00   0.000091445  -0.000085821  -0.000230083
 H      0.683268      1.656402      1.627011    0.00  -0.000063359   0.000022969   0.000056149
 H     -4.009074      0.505237     -1.127873    0.00  -0.000008027  -0.000019883  -0.000014697
 H     -2.515398      2.254736     -0.162792    0.00  -0.000059055  -0.000013914   0.000033889
 C     -0.248742      1.829344      1.107673    0.00  -0.000747631   0.000175867   0.000602586
 C      0.415420     -1.024980      1.373853    0.00  -0.000425041   0.000251135   0.000596741
 H     -1.360903     -2.607025      0.229295    0.00   0.000015449   0.000009670  -0.000005841
 H     -3.444167     -1.878654     -0.928625    0.00   0.000035564  -0.000005888  -0.000039635
 H      0.678625     -2.069658      1.457743    0.00  -0.000028343   0.000024630   0.000058883
 S      2.097408     -0.141642     -0.721333    0.00   0.001532922   0.000100047  -0.001131142
 O      1.648424      1.198942     -0.746619    0.00   0.001238870   0.000179924  -0.000717208
 O      3.233564     -0.783772     -0.180046    0.00  -0.000009081  -0.000747840  -0.000197785
 H      1.098433     -0.384270      1.913070    0.00  -0.000044856   0.000030319   0.000052434
 H     -0.472228      2.880938      0.992276    0.00  -0.000081143   0.000006030   0.000068734
19
 Energy =     -0.0106792224857
 C     -3.086347      0.253038     -0.603872    0.00  -0.000166447  -0.000134651  -0.000074814
 C     -2.273487      1.193444     -0.084555    0.00  -0.000516358  -0.000067814   0.000267008
 C     -1.028955      0.849485      0.621505    0.00  -0.000536496   0.000098757   0.000401272
 C     -0.690342     -0.591551      0.744838    0.00  -0.000334145   0.000135934   0.000344797
 C     -1.624041     -1.554144      0.136744    0.00  -0.000001725   0.000045605   0.000004968
 C     -2.752619     -1.160510     -0.485447    0.00   0.000099624  -0.000091641  -0.000258121
 H      0.695011      1.652321      1.617387    0.00  -0.000066473   0.000024169   0.000059083
 H     -4.007050      0.509113     -1.124559    0.00  -0.000007716  -0.000020781  -0.000017406
 H     -2.504065      2.256176     -0.169473    0.00  -0.000063144  -0.000014087   0.000037261
 C     -0.236588      1.826537      1.097704    0.00  -0.000798884   0.000187999   0.000657901
 C      0.422477     -1.028989      1.363816    0.00  -0.000470150   0.000262826   0.000666642
 H     -1.363706     -2.608199      0.230475    0.00   0.000015478   0.000009594  -0.000005689
 H     -3.449760     -1.876168     -0.919976    0.00   0.000038193  -0.000006570  -0.000044625
 H      0.684062     -2.074233      1.446261    0.00  -0.000032636   0.000025746   0.000067028
 S      2.088305     -0.142484     -0.714294    0.00   0.001659758   0.000120483  -0.001232572
 O      1.633498      1.196841     -0.737739    0.00   0.001305505   0.000187809  -0.000795404
 O      3.233022     -0.774341     -0.177896    0.00   0.000010844  -0.000802130  -0.000210168
 H      1.106554     -0.390344      1.904271    0.00  -0.000047927   0.000032404   0.000056213
 H     -0.456508      2.878546      0.978767    0.00  -0.000087302   0.000006349   0.000076627
19
 Energy =     -0.0104582913635
 C     -3.083723      0.255116     -0.602559    0.00  -0.000172046  -0.000140630  -0.000092145
 C     -2.265875      1.194238     -0.088642    0.00  -0.000549370  -0.000068771   0.000290249
 C     -1.021050      0.847874      0.615402    0.00  -0.000573476   0.000104436   0.000436285
 C     -0.685510     -0.593551      0.739504    0.00  -0.000363183   0.000141884   0.000380514
 C     -1.623929     -1.554694      0.136687    0.00  -0.000009674   0.000045882   0.000009182
 C     -2.754103     -1.159068     -0.481479    0.00   0.000107640  -0.000097834  -0.000288291
 H      0.706412      1.648401      1.608099    0.00  -0.000069828   0.000025310   0.000062118
 H     -4.005221      0.512863     -1.120978    0.00  -0.000007258  -0.000021698  -0.000020547
 H     -2.492884      2.257534     -0.176235    0.00  -0.000067263  -0.000014103   0.000040640
 C     -0.224546      1.823790      1.087621    0.00  -0.000855324   0.000200355   0.000721816
 C      0.429720     -1.032863      1.353436    0.00  -0.000521753   0.000273885   0.000747503
 H     -1.366291     -2.609302      0.231531    0.00   0.000015379   0.000009483  -0.000005488
 H     -3.455350     -1.873735     -0.911068    0.00   0.000040788  -0.000007370  -0.000050039
 H      0.689862     -2.078651      1.434150    0.00  -0.000037736   0.000026865   0.000076650
 S      2.079159     -0.143395     -0.707203    0.00   0.001800468   0.000146004  -0.001346976
 O      1.618938      1.194845     -0.728623    0.00   0.001375691   0.000195233  -0.000884569
 O      3.232308     -0.765022     -0.175759    0.00   0.000032511  -0.000859973  -0.000223180
 H      1.114592     -0.396357      1.895568    0.00  -0.000051326   0.000034534   0.000060235
 H     -0.440827      2.876173      0.964819    0.00  -0.000094240   0.000006508   0.000086042
19
 Energy =     -0.0102189703961
 C     -3.081228      0.257112     -0.601103    0.00  -0.000177644  -0.000146849  -0.000111741
 C     -2.258401      1.194980     -0.092717    0.00  -0.000582348  -0.000069144   0.000313191
 C     -1.013271      0.846278      0.609273    0.00  -0.000611820   0.000110539   0.000473616
 C     -0.680670     -0.595464      0.734077    0.00  -0.000393758   0.000147484   0.000418897
 C     -1.623709     -1.555200      0.136579    0.00  -0.000018515   0.000045730   0.000013549
 C     -2.755579     -1.157650     -0.477402    0.00   0.000114898  -0.000104363  -0.000319935
 H      0.717456      1.644663      1.599149    0.00  -0.000073493   0.000026406   0.000065291
 H     -4.003593      0.516477     -1.117132    0.00  -0.000006696  -0.000022638  -0.000024095
 H     -2.481921      2.258802     -0.183003    0.00  -0.000071311  -0.000013931   0.000043869
 C     -0.212613      1.821114      1.077390    0.00  -0.000918221   0.000213131   0.000796366
 C      0.437164     -1.036581      1.342685    0.00  -0.000580746   0.000283930   0.000840873
 H     -1.368653     -2.610330      0.232473    0.00   0.000015186   0.000009346  -0.000005339
 H     -3.460894     -1.871360     -0.901958    0.00   0.000043210  -0.000008310  -0.000055764
 H      0.696056     -2.082890      1.421348    0.00  -0.000043780   0.000027970   0.000088005
 S      2.069974     -0.144386     -0.700053    0.00   0.001956205   0.000177099  -0.001475549
 O      1.604761      1.192961     -0.719255    0.00   0.001449971   0.000201962  -0.000986539
 O      3.231434     -0.755835     -0.173645    0.00   0.000056142  -0.000921506  -0.000236600
 H      1.122534     -0.402295      1.886975    0.00  -0.000055085   0.000036697   0.000064484
 H     -0.425155      2.873822      0.950336    0.00  -0.000102194   0.000006447   0.000097421
19
 Energy =    -0.00995922001385
 C     -3.078864      0.259021     -0.599512    0.00  -0.000183540  -0.000153271  -0.000133191
 C     -2.251101      1.195668     -0.096738    0.00  -0.000614620  -0.000068807   0.000334832
 C     -1.005647      0.844701      0.603146    0.00  -0.000650947   0.000117243   0.000512561
 C     -0.675849     -0.597280      0.728589    0.00  -0.000425135   0.000152626   0.000459032
 C     -1.623386     -1.555659      0.136434    0.00  -0.000027920   0.000045074   0.000017324
 C     -2.757025     -1.156257     -0.473255    0.00   0.000120684  -0.000111198  -0.000352079
 H      0.728134      1.641125      1.590536    0.00  -0.000077530   0.000027505   0.000068585
 H     -4.002164      0.519948     -1.113039    0.00  -0.000006090  -0.000023606  -0.000027984
 H     -2.471247      2.259976     -0.189687    0.00  -0.000075171  -0.000013560   0.000046751
 C     -0.200775      1.818515      1.066967    0.00  -0.000989050   0.000226743   0.000883821
 C      0.444819     -1.040119      1.331538    0.00  -0.000648050   0.000292330   0.000948403
 H     -1.370797     -2.611282      0.233327    0.00   0.000014952   0.000009178  -0.000005374
 H     -3.466340     -1.869050     -0.892727    0.00   0.000045301  -0.000009404  -0.000061622
 H      0.702675     -2.086923      1.407793    0.00  -0.000050921   0.000029020   0.000101360
 S      2.060756     -0.145464     -0.692842    0.00   0.002127732   0.000214030  -0.001619373
 O      1.590981      1.191196     -0.709620    0.00   0.001528994   0.000207741  -0.001103131
 O      3.230411     -0.746798     -0.171564    0.00   0.000082006  -0.000986603  -0.000250133
 H      1.130365     -0.408146      1.878507    0.00  -0.000059223   0.000038847   0.000068932
 H     -0.409442      2.871493      0.935197    0.00  -0.000111472   0.000006113   0.000111288
19
 Energy =    -0.00967679736772
 C     -3.076629      0.260836     -0.597805    0.00  -0.000190020  -0.000159820  -0.000155919
 C     -2.244014      1.196299     -0.100657    0.00  -0.000645360  -0.000067641   0.000353935
 C     -0.998213      0.843143      0.597057    0.00  -0.000690022   0.000124719   0.000552227
 C     -0.671078     -0.598990      0.723078    0.00  -0.000456334   0.000157119   0.000499625
 C     -1.622968     -1.556071      0.136273    0.00  -0.000037442   0.000043843   0.000019589
 C     -2.758416     -1.154893     -0.469085    0.00   0.000124186  -0.000118219  -0.000383390
 H      0.738440      1.637791      1.582263    0.00  -0.000082000   0.000028701   0.000071908
 H     -4.000924      0.523270     -1.108729    0.00  -0.000005479  -0.000024594  -0.000032152
 H     -2.460937      2.261053     -0.196184    0.00  -0.000078694  -0.000012992   0.000049041
 C     -0.189011      1.815992      1.056304    0.00  -0.001069472   0.000241986   0.000986475
 C      0.452694     -1.043453      1.319975    0.00  -0.000724523   0.000298011   0.001071698
 H     -1.372738     -2.612156      0.234132    0.00   0.000014727   0.000008975  -0.000005743
 H     -3.471627     -1.866811     -0.883477    0.00   0.000046887  -0.000010649  -0.000067371
 H      0.709750     -2.090723      1.393430    0.00  -0.000059333   0.000029918   0.000116991
 S      2.051517     -0.146632     -0.685569    0.00   0.002315087   0.000256679  -0.001779243
 O      1.577603      1.189556     -0.699706    0.00   0.001613580   0.000212293  -0.001236007
 O      3.229253     -0.737933     -0.169528    0.00   0.000110395  -0.001054694  -0.000263428
 H      1.138069     -0.413894      1.870186    0.00  -0.000063729   0.000040907   0.000073515
 H     -0.393615      2.869175      0.919265    0.00  -0.000122454   0.000005458   0.000128250
19
 Energy =    -0.00936929175992
 C     -3.074517      0.262553     -0.596005    0.00  -0.000197170  -0.000166274  -0.000179257
 C     -2.237176      1.196874     -0.104421    0.00  -0.000673632  -0.000065576   0.000369167
 C     -0.991007      0.841600      0.591046    0.00  -0.000727909   0.000133169   0.000591432
 C     -0.666397     -0.600586      0.717595    0.00  -0.000486043   0.000160694   0.000539019
 C     -1.622470     -1.556434      0.136123    0.00  -0.000046695   0.000041939   0.000019387
 C     -2.759726     -1.153558     -0.464945    0.00   0.000124613  -0.000125283  -0.000412270
 H      0.748365      1.634652      1.574348    0.00  -0.000086935   0.000030166   0.000075019
 H     -3.999855      0.526439     -1.104244    0.00  -0.000004895  -0.000025586  -0.000036517
 H     -2.451063      2.262031     -0.202382    0.00  -0.000081727  -0.000012254   0.000050492
 C     -0.177287      1.813534      1.045352    0.00  -0.001161276   0.000260161   0.001106468
 C      0.460797     -1.046550      1.307978    0.00  -0.000810837   0.000299306   0.001212098
 H     -1.374496     -2.612951      0.234941    0.00   0.000014543   0.000008720  -0.000006584
 H     -3.476688     -1.864650     -0.874329    0.00   0.000047790  -0.000012015  -0.000072690
 H      0.717307     -2.094251      1.378214    0.00  -0.000069172   0.000030501   0.000135114
 S      2.042272     -0.147890     -0.678239    0.00   0.002517254   0.000304378  -0.001955482
 O      1.564622      1.188047     -0.689500    0.00   0.001704665   0.000215319  -0.001386447
 O      3.227969     -0.729263     -0.167549    0.00   0.000141571  -0.001124567  -0.000276033
 H      1.145620     -0.419517      1.862036    0.00  -0.000068543   0.000042734   0.000078122
 H     -0.377574      2.866846      0.902387    0.00  -0.000135603   0.000004466   0.000148963
19
 Energy =    -0.00903419335413
 C     -3.072523      0.264167     -0.594139    0.00  -0.000204850  -0.000172280  -0.000202544
 C     -2.230622      1.197390     -0.107980    0.00  -0.000698369  -0.000062564   0.000379201
 C     -0.984067      0.840069      0.585156    0.00  -0.000763131   0.000142784   0.000628813
 C     -0.661852     -0.602060      0.712197    0.00  -0.000512666   0.000162977   0.000575287
 C     -1.621907     -1.556746      0.136014    0.00  -0.000055376   0.000039225   0.000015837
 C     -2.760929     -1.152254     -0.460897    0.00   0.000121259  -0.000132196  -0.000436887
 H      0.757893      1.631679      1.566830    0.00  -0.000092329   0.000032164   0.000077488
 H     -3.998941      0.529450     -1.099632    0.00  -0.000004337  -0.000026551  -0.000040999
 H     -2.441694      2.262912     -0.208173    0.00  -0.000084102  -0.000011394   0.000050857
 C     -0.165564      1.811117      1.034064    0.00  -0.001266193   0.000283205   0.001245417
 C      0.469133     -1.049371      1.295539    0.00  -0.000907251   0.000293787   0.001370310
 H     -1.376092     -2.613665      0.235805    0.00   0.000014409   0.000008385  -0.000008010
 H     -3.481455     -1.862575     -0.865417    0.00   0.000047848  -0.000013439  -0.000077208
 H      0.725370     -2.097461      1.362115    0.00  -0.000080553   0.000030511   0.000155832
 S      2.033041     -0.149229     -0.670859    0.00   0.002731663   0.000355759  -0.002147528
 O      1.552021      1.186675     -0.678999    0.00   0.001803289   0.000216463  -0.001555059
 O      3.226571     -0.720818     -0.165639    0.00   0.000175670  -0.001194134  -0.000287440
 H      1.152986     -0.424982      1.854093    0.00  -0.000073532   0.000044105   0.000082569
 H     -0.361196      2.864469      0.884401    0.00  -0.000151449   0.000003195   0.000174067
19
 Energy =    -0.00866901481231
 C     -3.070641      0.265671     -0.592235    0.00  -0.000212602  -0.000177353  -0.000225128
 C     -2.224384      1.197848     -0.111289    0.00  -0.000718348  -0.000058555   0.000382810
 C     -0.977435      0.838543      0.579431    0.00  -0.000793882   0.000153718   0.000662893
 C     -0.657490     -0.603403      0.706942    0.00  -0.000534427   0.000163422   0.000606346
 C     -1.621294     -1.557006      0.135976    0.00  -0.000063279   0.000035499   0.000008297
 C     -2.762002     -1.150986     -0.457000    0.00   0.000113627  -0.000138704  -0.000455359
 H      0.766998      1.628820      1.559780    0.00  -0.000098118   0.000035038   0.000078663
 H     -3.998166      0.532299     -1.094938    0.00  -0.000003778  -0.000027444  -0.000045519
 H     -2.432891      2.263696     -0.213457    0.00  -0.000085658  -0.000010461   0.000049920
 C     -0.153791      1.808707      1.022398    0.00  -0.001385581   0.000313691   0.001403943
 C      0.477700     -1.051866      1.282658    0.00  -0.001013292   0.000278260   0.001545965
 H     -1.377544     -2.614296      0.236773    0.00   0.000014289   0.000007930  -0.000010066
 H     -3.485861     -1.860597     -0.856877    0.00   0.000046930  -0.000014829  -0.000080528
 H      0.733954     -2.100295      1.345132    0.00  -0.000093497   0.000029587   0.000179028
 S      2.023853     -0.150640     -0.663437    0.00   0.002953662   0.000408679  -0.002353392
 O      1.539773      1.185446     -0.668202    0.00   0.001910363   0.000215298  -0.001741358
 O      3.225068     -0.712633     -0.163809    0.00   0.000212594  -0.001260287  -0.000297081
 H      1.160122     -0.430245      1.846400    0.00  -0.000078489   0.000044690   0.000086509
 H     -0.344337      2.861989      0.865157    0.00  -0.000170514   0.000001820   0.000204057
19
 Energy =    -0.00827149517619
 C     -3.068870      0.267060     -0.590320    0.00  -0.000219642  -0.000180879  -0.000246326
 C     -2.218486      1.198249     -0.114308    0.00  -0.000732169  -0.000053437   0.000378934
 C     -0.971150      0.837014      0.573910    0.00  -0.000818072   0.000166002   0.000692071
 C     -0.653361     -0.604604      0.701885    0.00  -0.000549499   0.000161329   0.000630157
 C     -1.620645     -1.557213      0.136033    0.00  -0.000070356   0.000030418  -0.000003471
 C     -2.762927     -1.149755     -0.453312    0.00   0.000101521  -0.000144500  -0.000465911
 H      0.775641      1.626007      1.553304    0.00  -0.000104160   0.000039161   0.000077691
 H     -3.997516      0.534984     -1.090205    0.00  -0.000003165  -0.000028205  -0.000049977
 H     -2.424698      2.264389     -0.218152    0.00  -0.000086234  -0.000009497   0.000047512
 C     -0.141912      1.806250      1.010327    0.00  -0.001519825   0.000354618   0.001581048
 C      0.486494     -1.053975      1.269347    0.00  -0.001127385   0.000248939   0.001736865
 H     -1.378867     -2.614840      0.237880    0.00   0.000014108   0.000007304  -0.000012720
 H     -3.489849     -1.858725     -0.848836    0.00   0.000044956  -0.000016054  -0.000082282
 H      0.743061     -2.102686      1.327299    0.00  -0.000107829   0.000027288   0.000204249
 S      2.014742     -0.152104     -0.655988    0.00   0.003176009   0.000460290  -0.002568879
 O      1.527838      1.184365     -0.657117    0.00   0.002026303   0.000211147  -0.001943186
 O      3.223473     -0.704748     -0.162069    0.00   0.000251742  -0.001318726  -0.000304403
 H      1.166972     -0.435248      1.839016    0.00  -0.000083098   0.000044111   0.000089511
 H     -0.326842      2.859331      0.844524    0.00  -0.000193206   0.000000692   0.000239118
19
 Energy =    -0.00783992687673
 C     -3.067210      0.268326     -0.588417    0.00  -0.000224906  -0.000182143  -0.000265317
 C     -2.212947      1.198594     -0.117009    0.00  -0.000738192  -0.000046953   0.000366666
 C     -0.965251      0.835469      0.568623    0.00  -0.000833425   0.000179507   0.000714698
 C     -0.649512     -0.605652      0.697074    0.00  -0.000556239   0.000155810   0.000644922
 C     -1.619970     -1.557362      0.136204    0.00  -0.000076615   0.000023470  -0.000019210
 C     -2.763693     -1.148563     -0.449881    0.00   0.000085179  -0.000149221  -0.000467076
 H      0.783767      1.623157      1.547536    0.00  -0.000110207   0.000044835   0.000073576
 H     -3.996982      0.537502     -1.085470    0.00  -0.000002452  -0.000028765  -0.000054217
 H     -2.417147      2.264993     -0.222196    0.00  -0.000085678  -0.000008520   0.000043525
 C     -0.129870      1.803685      0.997835    0.00  -0.001667554   0.000408794   0.001773346
 C      0.495506     -1.055632      1.255632    0.00  -0.001246321   0.000201989   0.001938202
 H     -1.380066     -2.615292      0.239149    0.00   0.000013752   0.000006436  -0.000015854
 H     -3.493377     -1.856973     -0.841404    0.00   0.000041909  -0.000016965  -0.000082176
 H      0.752672     -2.104561      1.308700    0.00  -0.000123084   0.000023159   0.000230559
 S      2.005745     -0.153604     -0.648528    0.00   0.003388227   0.000507137  -0.002786659
 O      1.516164      1.183440     -0.645759    0.00   0.002150254   0.000203120  -0.002155931
 O      3.221799     -0.697206     -0.160426    0.00   0.000291886  -0.001364034  -0.000308847
 H      1.173465     -0.439928      1.832015    0.00  -0.000086956   0.000041965   0.000090964
 H     -0.308562      2.856403      0.822414    0.00  -0.000219578   0.000000378   0.000278829
19
 Energy =    -0.00737366077709
 C     -3.065665      0.269462     -0.586547    0.00  -0.000227153  -0.000180360  -0.000280965
 C     -2.207776      1.198881     -0.119372    0.00  -0.000734513  -0.000038639   0.000345236
 C     -0.959768      0.833893      0.563592    0.00  -0.000837622   0.000193796   0.000728940
 C     -0.645981     -0.606532      0.692540    0.00  -0.000553402   0.000145898   0.000649244
 C     -1.619276     -1.557446      0.136497    0.00  -0.000082002   0.000013957  -0.000038108
 C     -2.764300     -1.147411     -0.446744    0.00   0.000065357  -0.000152443  -0.000457841
 H      0.791307      1.620193      1.542632    0.00  -0.000115907   0.000052146   0.000065341
 H     -3.996559      0.539853     -1.080771    0.00  -0.000001621  -0.000029046  -0.000057986
 H     -2.410253      2.265511     -0.225550    0.00  -0.000083846  -0.000007508   0.000037928
 C     -0.117605      1.800942      0.984922    0.00  -0.001824433   0.000477932   0.001974113
 C      0.504720     -1.056768      1.241553    0.00  -0.001364634   0.000134391   0.002141502
 H     -1.381139     -2.615644      0.240581    0.00   0.000013093   0.000005247  -0.000019258
 H     -3.496418     -1.855351     -0.834659    0.00   0.000037836  -0.000017404  -0.000080040
 H      0.762737     -2.105850      1.289466    0.00  -0.000138391   0.000016832   0.000256398
 S      1.996904     -0.155117     -0.641079    0.00   0.003576010   0.000545478  -0.002995056
 O      1.504693      1.182681     -0.634147    0.00   0.002279005   0.000189898  -0.002371469
 O      3.220059     -0.690052     -0.158884    0.00   0.000330840  -0.001389741  -0.000309910
 H      1.179521     -0.444226      1.825487    0.00  -0.000089587   0.000037918   0.000090098
 H     -0.289375      2.853100      0.798800    0.00  -0.000249031   0.000001648   0.000321832
19
 Energy =    -0.00687386184848
 C     -3.064241      0.270459     -0.584728    0.00  -0.000225091  -0.000174752  -0.000291707
 C     -2.202975      1.199107     -0.121385    0.00  -0.000718911  -0.000027807   0.000314058
 C     -0.954728      0.832269      0.558826    0.00  -0.000828481   0.000207901   0.000732597
 C     -0.642799     -0.607226      0.688298    0.00  -0.000540293   0.000130727   0.000642062
 C     -1.618567     -1.557455      0.136917    0.00  -0.000086190   0.000001117  -0.000058792
 C     -2.764755     -1.146297     -0.443924    0.00   0.000043364  -0.000153618  -0.000437711
 H      0.798186      1.617052      1.538752    0.00  -0.000120823   0.000060815   0.000052227
 H     -3.996239      0.542040     -1.076143    0.00  -0.000000706  -0.000028971  -0.000060883
 H     -2.404015      2.265942     -0.228199    0.00  -0.000080609  -0.000006403   0.000030802
 C     -0.105062      1.797952      0.971599    0.00  -0.001981575   0.000561411   0.002172038
 C      0.514118     -1.057320      1.227163    0.00  -0.001473789   0.000045103   0.002333372
 H     -1.382079     -2.615884      0.242167    0.00   0.000012007   0.000003654  -0.000022647
 H     -3.498964     -1.853874     -0.828647    0.00   0.000032861  -0.000017225  -0.000075833
 H      0.773173     -2.106495      1.269787    0.00  -0.000152391   0.000008189   0.000279475
 S      1.988261     -0.156626     -0.633666    0.00   0.003720453   0.000571574  -0.003176673
 O      1.493360      1.182104     -0.622307    0.00   0.002405333   0.000169717  -0.002576720
 O      3.218274     -0.683330     -0.157444    0.00   0.000365236  -0.001388564  -0.000307110
 H      1.185053     -0.448096      1.819539    0.00  -0.000090463   0.000031774   0.000086017
 H     -0.269212      2.849316      0.773735    0.00  -0.000279932   0.000005357   0.000365428
19
 Energy =    -0.00634461073571
 C     -3.062945      0.271309     -0.582976    0.00  -0.000217494  -0.000164701  -0.000295505
 C     -2.198537      1.199267     -0.123040    0.00  -0.000688763  -0.000013683   0.000272950
 C     -0.950145      0.830573      0.554324    0.00  -0.000804051   0.000219952   0.000722691
 C     -0.639989     -0.607718      0.684344    0.00  -0.000516799   0.000109920   0.000622317
 C     -1.617842     -1.557376      0.137460    0.00  -0.000088343  -0.000015559  -0.000079306
 C     -2.765076     -1.145217     -0.441430    0.00   0.000020994  -0.000151966  -0.000406636
 H      0.804320      1.613707      1.536050    0.00  -0.000124516   0.000070105   0.000033926
 H     -3.996009      0.544068     -1.071627    0.00   0.000000194  -0.000028449  -0.000062340
 H     -2.398413      2.266282     -0.230149    0.00  -0.000075854  -0.000005116   0.000022397
 C     -0.092186      1.794652      0.957887    0.00  -0.002123363   0.000654801   0.002349487
 C      0.523682     -1.057236      1.212526    0.00  -0.001560992  -0.000063514   0.002493936
 H     -1.382877     -2.615998      0.243883    0.00   0.000010411   0.000001605  -0.000025646
 H     -3.501027     -1.852552     -0.823378    0.00   0.000027182  -0.000016311  -0.000069635
 H      0.783857     -2.106462      1.249899    0.00  -0.000163221  -0.000002485   0.000296709
 S      1.979856     -0.158117     -0.626316    0.00   0.003797063   0.000581803  -0.003306767
 O      1.482095      1.181733     -0.610266    0.00   0.002515618   0.000140602  -0.002751644
 O      3.216466     -0.677077     -0.156101    0.00   0.000390323  -0.001352684  -0.000299887
 H      1.189966     -0.451518      1.814293    0.00  -0.000089182   0.000023521   0.000077749
 H     -0.248082      2.844953      0.747362    0.00  -0.000309208   0.000012158   0.000405203
19
 Energy =    -0.00579448073154
 C     -3.061782      0.272002     -0.581307    0.00  -0.000203351  -0.000150013  -0.000289890
 C     -2.194446      1.199352     -0.124336    0.00  -0.000640740   0.000004254   0.000222676
 C     -0.946030      0.828778      0.550074    0.00  -0.000762732   0.000226429   0.000694897
 C     -0.637563     -0.607986      0.680657    0.00  -0.000483506   0.000084207   0.000588117
 C     -1.617100     -1.557193      0.138119    0.00  -0.000086777  -0.000035748  -0.000096945
 C     -2.765290     -1.144164     -0.439258    0.00   0.000000209  -0.000146252  -0.000365049
 H      0.809622      1.610176      1.534657    0.00  -0.000126734   0.000078805   0.000010863
 H     -3.995854      0.545949     -1.067269    0.00   0.000000939  -0.000027367  -0.000061643
 H     -2.393415      2.266523     -0.231427    0.00  -0.000069477  -0.000003563   0.000013202
 C     -0.078927      1.790993      0.943813    0.00  -0.002224172   0.000748234   0.002479855
 C      0.533393     -1.056483      1.197712    0.00  -0.001607572  -0.000184015   0.002594783
 H     -1.383522     -2.615971      0.245698    0.00   0.000008279  -0.000000882  -0.000027784
 H     -3.502633     -1.851394     -0.818833    0.00   0.000021058  -0.000014588  -0.000061576
 H      0.794633     -2.105747      1.230084    0.00  -0.000168539  -0.000014340   0.000304281
 S      1.971725     -0.159586     -0.619060    0.00   0.003774356   0.000572249  -0.003351223
 O      1.470828      1.181605     -0.598052    0.00   0.002586363   0.000101250  -0.002866359
 O      3.214661     -0.671323     -0.154847    0.00   0.000399859  -0.001274036  -0.000287420
 H      1.194165     -0.454513      1.809889    0.00  -0.000085446   0.000013329   0.000064467
 H     -0.226086      2.839941      0.719921    0.00  -0.000332019   0.000022047   0.000434750
19
 Energy =    -0.00523878440714
 C     -3.060757      0.272526     -0.579734    0.00  -0.000182023  -0.000131597  -0.000272185
 C     -2.190675      1.199352     -0.125272    0.00  -0.000570259   0.000025674   0.000165881
 C     -0.942384      0.826851      0.546058    0.00  -0.000703574   0.000220791   0.000642733
 C     -0.635532     -0.608010      0.677199    0.00  -0.000442099   0.000056473   0.000535487
 C     -1.616339     -1.556890      0.138887    0.00  -0.000078682  -0.000057398  -0.000107954
 C     -2.765430     -1.143127     -0.437397    0.00  -0.000017394  -0.000134224  -0.000313664
 H      0.814006      1.606529      1.534682    0.00  -0.000127689   0.000085433  -0.000015528
 H     -3.995749      0.547696     -1.063121    0.00   0.000001374  -0.000025550  -0.000058005
 H     -2.388973      2.266655     -0.232079    0.00  -0.000061338  -0.000001733   0.000004016
 C     -0.065237      1.786946      0.929403    0.00  -0.002243137   0.000824416   0.002523418
 C      0.543241     -1.055047      1.182798    0.00  -0.001586181  -0.000301759   0.002596148
 H     -1.384007     -2.615787      0.247574    0.00   0.000005692  -0.000003636  -0.000028491
 H     -3.503819     -1.850406     -0.814970    0.00   0.000014832  -0.000012052  -0.000051816
 H      0.805314     -2.104379      1.210649    0.00  -0.000165690  -0.000025845   0.000297819
 S      1.963897     -0.161038     -0.611930    0.00   0.003611793   0.000537228  -0.003264156
 O      1.459492      1.181774     -0.585692    0.00   0.002578952   0.000053448  -0.002876951
 O      3.212892     -0.666091     -0.153670    0.00   0.000386400  -0.001144766  -0.000268165
 H      1.197544     -0.457141      1.806483    0.00  -0.000079416   0.000001373   0.000045802
 H     -0.203426      2.834250      0.691748    0.00  -0.000341562   0.000033722   0.000445612
19
 Energy =    -0.00470277525795
 C     -3.059873      0.272865     -0.578270    0.00  -0.000153614  -0.000112796  -0.000239741
 C     -2.187194      1.199256     -0.125849    0.00  -0.000470221   0.000048599   0.000108650
 C     -0.939211      0.824750      0.542252    0.00  -0.000627427   0.000190716   0.000556359
 C     -0.633909     -0.607768      0.673924    0.00  -0.000397310   0.000033460   0.000456243
 C     -1.615554     -1.556451      0.139758    0.00  -0.000059459  -0.000075403  -0.000106512
 C     -2.765535     -1.142091     -0.435827    0.00  -0.000031736  -0.000111739  -0.000253733
 H      0.817377      1.602884      1.536213    0.00  -0.000128737   0.000088632  -0.000042230
 H     -3.995669      0.549326     -1.059238    0.00   0.000001434  -0.000022707  -0.000050696
 H     -2.385032      2.266665     -0.232172    0.00  -0.000051161   0.000000231  -0.000004039
 C     -0.051062      1.782502      0.914679    0.00  -0.002115182   0.000856034   0.002420896
 C      0.553222     -1.052937      1.167861    0.00  -0.001455929  -0.000392183   0.002443298
 H     -1.384325     -2.615435      0.249469    0.00   0.000002900  -0.000006224  -0.000027118
 H     -3.504627     -1.849591     -0.811741    0.00   0.000008959  -0.000008787  -0.000040540
 H      0.815697     -2.102418      1.191915    0.00  -0.000152045  -0.000034796   0.000272768
 S      1.956398     -0.162491     -0.604961    0.00   0.003257553   0.000464453  -0.002985355
 O      1.448019      1.182315     -0.573212    0.00   0.002431096   0.000008842  -0.002719516
 O      3.211195     -0.661392     -0.152554    0.00   0.000342609  -0.000958095  -0.000239046
 H      1.199993     -0.459510      1.804248    0.00  -0.000072405  -0.000012623   0.000022639
 H     -0.180404      2.827909      0.663260    0.00  -0.000329324   0.000044387   0.000427673
19
 Energy =    -0.00422630781253
 C     -3.059136      0.272998     -0.576925    0.00  -0.000118459  -0.000098570  -0.000189827
 C     -2.183963      1.199059     -0.126069    0.00  -0.000331292   0.000067575   0.000061415
 C     -0.936524      0.822425      0.538628    0.00  -0.000534748   0.000119088   0.000421822
 C     -0.632721     -0.607237      0.670779    0.00  -0.000351664   0.000024439   0.000338437
 C     -1.614740     -1.555866      0.140732    0.00  -0.000023748  -0.000080424  -0.000084925
 C     -2.765647     -1.141037     -0.434530    0.00  -0.000044158  -0.000073071  -0.000186200
 H      0.819624      1.599397      1.539338    0.00  -0.000133413   0.000088061  -0.000065426
 H     -3.995585      0.550851     -1.055675    0.00   0.000001325  -0.000018352  -0.000039135
 H     -2.381531      2.266541     -0.231795    0.00  -0.000038337   0.000001800  -0.000009350
 C     -0.036344      1.777674      0.899667    0.00  -0.001742119   0.000802978   0.002084132
 C      0.563348     -1.050182      1.152984    0.00  -0.001167969  -0.000420265   0.002054572
 H     -1.384472     -2.614907      0.251335    0.00   0.000000402  -0.000007805  -0.000022965
 H     -3.505098     -1.848949     -0.809095    0.00   0.000004058  -0.000005013  -0.000027996
 H      0.825564     -2.099956      1.174212    0.00  -0.000125068  -0.000038674   0.000224101
 S      1.949252     -0.163982     -0.598190    0.00   0.002640828   0.000335522  -0.002435551
 O      1.436346      1.183340     -0.560641    0.00   0.002048152  -0.000009849  -0.002300312
 O      3.209617     -0.657239     -0.151483    0.00   0.000262293  -0.000708234  -0.000194293
 H      1.201366     -0.461788      1.803388    0.00  -0.000061844  -0.000024603   0.000002128
 H     -0.157408      2.821020      0.634958    0.00  -0.000284239   0.000045399   0.000369374
19
 Energy =     -0.0038698243809
 C     -3.058507      0.272939     -0.575664    0.00  -0.000091834  -0.000132098  -0.000122664
 C     -2.180894      1.198761     -0.125935    0.00  -0.000125301   0.000081038   0.000054253
 C     -0.934216      0.819837      0.535091    0.00  -0.000492307  -0.000068427   0.000215274
 C     -0.631901     -0.606460      0.667694    0.00  -0.000421906   0.000089389   0.000133503
 C     -1.613894     -1.555162      0.141816    0.00   0.000059631  -0.000052196  -0.000012425
 C     -2.765772     -1.139945     -0.433467    0.00  -0.000076912   0.000011469  -0.000128518
 H      0.820469      1.596597      1.544188    0.00  -0.000152760   0.000088438  -0.000083101
 H     -3.995487      0.552313     -1.052325    0.00   0.000001112  -0.000011982  -0.000025366
 H     -2.378446      2.266283     -0.230828    0.00  -0.000019150   0.000002703  -0.000018452
 C     -0.021170      1.772666      0.884377    0.00  -0.000920279   0.000598418   0.001398507
 C      0.573603     -1.046960      1.138186    0.00  -0.000530506  -0.000316479   0.001359641
 H     -1.384468     -2.614240      0.253135    0.00  -0.000001948  -0.000007650  -0.000014690
 H     -3.505251     -1.848436     -0.807025    0.00   0.000000068  -0.000001768  -0.000013053
 H      0.834733     -2.097201      1.157837    0.00  -0.000088912  -0.000039554   0.000159987
 S      1.942423     -0.165543     -0.591664    0.00   0.001725568   0.000021886  -0.001574982
 O      1.424498      1.184852     -0.547915    0.00   0.001247091   0.000180850  -0.001511102
 O      3.208088     -0.653564     -0.150379    0.00   0.000189397  -0.000424928  -0.000114559
 H      1.202118     -0.463922      1.803235    0.00  -0.000095214  -0.000072096   0.000020793
 H     -0.134930      2.813753      0.606860    0.00  -0.000205837   0.000052988   0.000276955
19
 Energy =    -0.00372772409116
 C     -3.010593      0.271316     -0.592889    0.00  -0.000001513  -0.000002250   0.000003175
 C     -2.130532      1.197245     -0.143497    0.00   0.000000173  -0.000000740  -0.000005027
 C     -0.885385      0.815560      0.513556    0.00  -0.000006969   0.000002728   0.000005359
 C     -0.584523     -0.606270      0.646388    0.00  -0.000034281   0.000016873  -0.000002732
 C     -1.565406     -1.555319      0.124843    0.00   0.000004060   0.000001741   0.000003618
 C     -2.718567     -1.139808     -0.450994    0.00   0.000000942   0.000002764  -0.000004575
 H      0.866769      1.593437      1.533326    0.00   0.000011777  -0.000001401  -0.000010435
 H     -3.947677      0.552540     -1.068082    0.00  -0.000000082   0.000000167  -0.000000459
 H     -2.328204      2.264715     -0.248028    0.00   0.000003506   0.000000353  -0.000006621
 C      0.042772      1.766045      0.850609    0.00   0.000005105  -0.000029718  -0.000011930
 C      0.631739     -1.044025      1.105733    0.00   0.000039470   0.000011828  -0.000025328
 H     -1.336668     -2.614424      0.236423    0.00  -0.000001358  -0.000000360   0.000001832
 H     -3.457519     -1.849290     -0.823868    0.00  -0.000001528  -0.000000488   0.000002589
 H      0.889856     -2.095189      1.125941    0.00  -0.000000687  -0.000006128   0.000003159
 S      1.983856     -0.168529     -0.603823    0.00  -0.000017322   0.000002022  -0.000002707
 O      1.459613      1.186701     -0.553573    0.00  -0.000018457   0.000014658  -0.000000977
 O      3.254619     -0.651843     -0.167571    0.00   0.000029545  -0.000004641   0.000000255
 H      1.247619     -0.468024      1.788579    0.00  -0.000014295  -0.000010079   0.000040622
 H     -0.066750      2.805360      0.563528    0.00   0.000001913   0.000002671   0.000010181
19
 Energy =     -0.0039268369365
 C     -3.057780      0.271904     -0.573655    0.00  -0.000016671  -0.000255671   0.000091263
 C     -2.175270      1.197939     -0.124600    0.00   0.000482450  -0.000002798   0.000207506
 C     -0.931654      0.813493      0.528480    0.00  -0.000245125  -0.000750332  -0.000495979
 C     -0.632245     -0.603869      0.661540    0.00  -0.000481747   0.000358171  -0.000531542
 C     -1.612018     -1.553266      0.144329    0.00   0.000271252   0.000152759   0.000263771
 C     -2.766462     -1.137461     -0.432062    0.00  -0.000159501   0.000284469   0.000017975
 H      0.817969      1.592487      1.558923    0.00  -0.000175576   0.000056294   0.000042779
 H     -3.994967      0.554977     -1.047380    0.00   0.000005820   0.000012084   0.000017873
 H     -2.373062      2.265357     -0.228770    0.00   0.000029286  -0.000005325  -0.000000604
 C      0.011614      1.761634      0.853299    0.00   0.002618461  -0.000578865  -0.001929364
 C      0.594775     -1.038879      1.109739    0.00   0.001742835   0.000545456  -0.001664667
 H     -1.383968     -2.612398      0.256170    0.00   0.000002558   0.000008597   0.000011887
 H     -3.504887     -1.847933     -0.804252    0.00   0.000003695   0.000002836   0.000011381
 H      0.849879     -2.090967      1.130504    0.00   0.000046005   0.000013664  -0.000083571
 S      1.930188     -0.169304     -0.579524    0.00  -0.001735404  -0.001073896   0.001858571
 O      1.399628      1.190760     -0.522772    0.00  -0.002314651   0.001057092   0.002079404
 O      3.206050     -0.647912     -0.148304    0.00  -0.000098081   0.000374454   0.000183347
 H      1.198020     -0.469916      1.810382    0.00  -0.000131670  -0.000126679   0.000084122
 H     -0.093670      2.799177      0.556654    0.00   0.000156067  -0.000072311  -0.000164151
19
 Energy =     -0.0046519692234
 C     -3.057651      0.270912     -0.572863    0.00  -0.000019578  -0.000516963   0.000221900
 C     -2.172604      1.197467     -0.123468    0.00   0.001010704  -0.000076110   0.000499590
 C     -0.931380      0.809728      0.525314    0.00  -0.000323168  -0.001536391  -0.001147289
 C     -0.633412     -0.602139      0.658382    0.00  -0.000812652   0.000666552  -0.001178574
 C     -1.610953     -1.552126      0.145773    0.00   0.000516159   0.000381259   0.000577337
 C     -2.767059     -1.136031     -0.431653    0.00  -0.000322516   0.000590563   0.000062598
 H      0.814580      1.591654      1.568525    0.00  -0.000294729   0.000062547   0.000189027
 H     -3.994530      0.556198     -1.045711    0.00   0.000012415   0.000031195   0.000039705
 H     -2.370644      2.264730     -0.227895    0.00   0.000060839  -0.000016131   0.000023416
 C      0.029082      1.755901      0.837672    0.00   0.006190775  -0.001640770  -0.004935120
 C      0.605700     -1.034316      1.096219    0.00   0.003915274   0.001443304  -0.004130351
 H     -1.383521     -2.611304      0.257361    0.00   0.000011972   0.000025734   0.000025962
 H     -3.504439     -1.847896     -0.803426    0.00   0.000015929   0.000003619   0.000016438
 H      0.855701     -2.087821      1.119622    0.00   0.000134936   0.000072996  -0.000247027
 S      1.924761     -0.171606     -0.573977    0.00  -0.004335939  -0.002419047   0.004596686
 O      1.386699      1.195293     -0.510430    0.00  -0.005729708   0.002463293   0.005298385
 O      3.205527     -0.645828     -0.147259    0.00  -0.000233366   0.000830299   0.000455731
 H      1.193268     -0.474153      1.817490    0.00  -0.000225424  -0.000205379   0.000135666
 H     -0.075712      2.792349      0.535232    0.00   0.000428079  -0.000160570  -0.000504081
19
 Energy =    -0.00612038950823
 C     -3.057643      0.269596     -0.572164    0.00  -0.000062656  -0.000966560   0.000376356
 C     -2.169946      1.197034     -0.122036    0.00   0.001687551  -0.000181244   0.000984022
 C     -0.931719      0.805616      0.522076    0.00  -0.000583712  -0.002615330  -0.002020540
 C     -0.635206     -0.600313      0.655092    0.00  -0.001433945   0.001086816  -0.002078487
 C     -1.609767     -1.550952      0.147358    0.00   0.000866039   0.000712726   0.001044318
 C     -2.767840     -1.134447     -0.431407    0.00  -0.000596428   0.001043853   0.000070447
 H      0.809340      1.592133      1.579448    0.00  -0.000467635   0.000104204   0.000416692
 H     -3.994014      0.557367     -1.044388    0.00   0.000025185   0.000056410   0.000055326
 H     -2.368494      2.264058     -0.226934    0.00   0.000103773  -0.000032982   0.000044476
 C      0.047114      1.750397      0.822110    0.00   0.011186811  -0.003121030  -0.009068507
 C      0.616829     -1.029725      1.083311    0.00   0.006882344   0.002713195  -0.007339762
 H     -1.383012     -2.610223      0.258280    0.00   0.000025180   0.000049499   0.000039316
 H     -3.503822     -1.847940     -0.802982    0.00   0.000035601   0.000000504   0.000016405
 H      0.860530     -2.084880      1.110532    0.00   0.000222141   0.000136837  -0.000415299
 S      1.919766     -0.174250     -0.568803    0.00  -0.007510992  -0.004574150   0.007930487
 O      1.373567      1.200900     -0.498206    0.00  -0.010502922   0.004944042   0.009621564
 O      3.205210     -0.644129     -0.146175    0.00  -0.000225106   0.001247664   0.000858411
 H      1.187465     -0.478970      1.825477    0.00  -0.000387353  -0.000325382   0.000335326
 H     -0.059743      2.786204      0.515967    0.00   0.000736123  -0.000279070  -0.000870554
19
 Energy =    -0.00854514844866
 C     -3.057744      0.268004     -0.571539    0.00  -0.000151481  -0.001618445   0.000546964
 C     -2.167301      1.196668     -0.120371    0.00   0.002488471  -0.000268707   0.001660353
 C     -0.932585      0.801351      0.518769    0.00  -0.001057900  -0.003874767  -0.003128291
 C     -0.637496     -0.598529      0.651685    0.00  -0.002318449   0.001482523  -0.003225094
 C     -1.608459     -1.549759      0.149061    0.00   0.001326371   0.001106420   0.001658032
 C     -2.768794     -1.132740     -0.431288    0.00  -0.001002158   0.001639300   0.000043706
 H      0.802776      1.593636      1.590755    0.00  -0.000711125   0.000194874   0.000710586
 H     -3.993424      0.558494     -1.043406    0.00   0.000044692   0.000086720   0.000062082
 H     -2.366514      2.263379     -0.226065    0.00   0.000151206  -0.000053065   0.000063436
 C      0.065595      1.745052      0.806643    0.00   0.017418536  -0.004887496  -0.014105506
 C      0.628072     -1.025149      1.071009    0.00   0.010488762   0.004233294  -0.010989719
 H     -1.382492     -2.609185      0.258980    0.00   0.000040305   0.000075715   0.000046694
 H     -3.503094     -1.848056     -0.802788    0.00   0.000063281  -0.000006372   0.000008971
 H      0.864684     -2.082128      1.102636    0.00   0.000307435   0.000204124  -0.000584358
 S      1.915129     -0.177185     -0.563940    0.00  -0.011013066  -0.007617492   0.011663003
 O      1.360298      1.207419     -0.486114    0.00  -0.016404212   0.008574444   0.014821561
 O      3.205082     -0.642717     -0.145069    0.00  -0.000094339   0.001626730   0.001369197
 H      1.180650     -0.484369      1.834295    0.00  -0.000617569  -0.000495184   0.000604074
 H     -0.045475      2.780698      0.498869    0.00   0.001041239  -0.000402613  -0.001225693
19
 Energy =     -0.0120577455133
 C     -3.057923      0.266211     -0.570954    0.00  -0.000268865  -0.002364772   0.000735540
 C     -2.164684      1.196379     -0.118525    0.00   0.003302071  -0.000304243   0.002442507
 C     -0.933779      0.797168      0.515374    0.00  -0.001583558  -0.004986800  -0.004386620
 C     -0.640051     -0.596955      0.648182    0.00  -0.003220810   0.001653939  -0.004496579
 C     -1.607063     -1.548577      0.150856    0.00   0.001831619   0.001485984   0.002340490
 C     -2.769892     -1.130956     -0.431254    0.00  -0.001489785   0.002277443   0.000006167
 H      0.795173      1.596004      1.601855    0.00  -0.000994522   0.000325921   0.000983202
 H     -3.992769      0.559605     -1.042703    0.00   0.000069340   0.000119782   0.000060762
 H     -2.364664      2.262719     -0.225297    0.00   0.000196931  -0.000071567   0.000078688
 C      0.084379      1.739779      0.791225    0.00   0.024109682  -0.006789502  -0.019491137
 C      0.639303     -1.020618      1.059228    0.00   0.014221624   0.005791976  -0.014643845
 H     -1.381997     -2.608222      0.259498    0.00   0.000051702   0.000097774   0.000047853
 H     -3.502280     -1.848232     -0.802772    0.00   0.000094784  -0.000016664  -0.000003278
 H      0.868454     -2.079539      1.095434    0.00   0.000399111   0.000269123  -0.000760933
 S      1.910749     -0.180370     -0.559307    0.00  -0.014559231  -0.011201683   0.015459541
 O      1.346937      1.214704     -0.474103    0.00  -0.022703286   0.012918505   0.020352447
 O      3.205102     -0.641494     -0.143940    0.00   0.000100601   0.001993294   0.001931843
 H      1.173160     -0.490187      1.843387    0.00  -0.000869721  -0.000684119   0.000870322
 H     -0.032599      2.775712      0.483626    0.00   0.001312312  -0.000514389  -0.001526971
19
 Energy =      -0.016642461347
 C     -3.058151      0.264310     -0.570373    0.00  -0.000381153  -0.003024881   0.000946632
 C     -2.162123      1.196167     -0.116554    0.00   0.003976312  -0.000279680   0.003190823
 C     -0.935061      0.793291      0.511873    0.00  -0.001885353  -0.005610463  -0.005643295
 C     -0.642609     -0.595729      0.644603    0.00  -0.003792208   0.001468058  -0.005710407
 C     -1.605628     -1.547434      0.152710    0.00   0.002266594   0.001764056   0.002968709
 C     -2.771091     -1.129155     -0.431254    0.00  -0.001960436   0.002812418  -0.000000625
 H      0.786858      1.599058      1.612202    0.00  -0.001259851   0.000469436   0.001145708
 H     -3.992059      0.560723     -1.042201    0.00   0.000095757   0.000152180   0.000055442
 H     -2.362909      2.262097     -0.224605    0.00   0.000234465  -0.000083742   0.000090876
 C      0.103326      1.734458      0.775772    0.00   0.030180300  -0.008662195  -0.024510521
 C      0.650403     -1.016133      1.047827    0.00   0.017439056   0.007171989  -0.017860082
 H     -1.381564     -2.607354      0.259881    0.00   0.000054020   0.000110031   0.000045438
 H     -3.501405     -1.848457     -0.802869    0.00   0.000123962  -0.000029024  -0.000015639
 H      0.872140     -2.077057      1.088437    0.00   0.000504140   0.000328117  -0.000949593
 S      1.906505     -0.183762     -0.554805    0.00  -0.017883358  -0.014762493   0.018977461
 O      1.333521      1.222598     -0.462095    0.00  -0.028422188   0.017244416   0.025488727
 O      3.205212     -0.640362     -0.142786    0.00   0.000273912   0.002387980   0.002471880
 H      1.165360     -0.496230      1.852215    0.00  -0.001085261  -0.000853718   0.001051488
 H     -0.020772      2.771091      0.469860    0.00   0.001521290  -0.000602487  -0.001743023
19
 Energy =     -0.0221315157685
 C     -3.058401      0.262390     -0.569759    0.00  -0.000458454  -0.003450046   0.001181869
 C     -2.159647      1.196025     -0.114506    0.00   0.004405741  -0.000207856   0.003783777
 C     -0.936213      0.789865      0.508248    0.00  -0.001765096  -0.005618943  -0.006759262
 C     -0.644941     -0.594919      0.640953    0.00  -0.003811069   0.000954659  -0.006727346
 C     -1.604206     -1.546360      0.154589    0.00   0.002537964   0.001882541   0.003438643
 C     -2.772347     -1.127390     -0.431245    0.00  -0.002323069   0.003135552   0.000058150
 H      0.778152      1.602611      1.621366    0.00  -0.001453741   0.000594738   0.001152623
 H     -3.991298      0.561869     -1.041823    0.00   0.000119999   0.000180667   0.000051404
 H     -2.361226      2.261526     -0.223949    0.00   0.000259566  -0.000087332   0.000102433
 C      0.122301      1.728984      0.760212    0.00   0.034723283  -0.010319290  -0.028531808
 C      0.661291     -1.011680      1.036649    0.00   0.019698431   0.008220217  -0.020359982
 H     -1.381226     -2.606596      0.260182    0.00   0.000044747   0.000109959   0.000043656
 H     -3.500494     -1.848724     -0.803021    0.00   0.000145456  -0.000041346  -0.000023326
 H      0.875996     -2.074618      1.081254    0.00   0.000622125   0.000377810  -0.001144834
 S      1.902281     -0.187326     -0.550333    0.00  -0.020801084  -0.017807032   0.021983322
 O      1.320100      1.230953     -0.450030    0.00  -0.032720686   0.020865757   0.029580560
 O      3.205359     -0.639231     -0.141603    0.00   0.000346591   0.002844130   0.002928193
 H      1.157568     -0.502337      1.860343    0.00  -0.001219378  -0.000974547   0.001101469
 H     -0.009728      2.766713      0.457242    0.00   0.001648674  -0.000659638  -0.001859544
19
 Energy =     -0.0282549325775
 C     -3.058652      0.260522     -0.569081    0.00  -0.000486220  -0.003581638   0.001437993
 C     -2.157272      1.195944     -0.112415    0.00   0.004569180  -0.000110237   0.004160784
 C     -0.937063      0.786948      0.504471    0.00  -0.001197095  -0.005122691  -0.007658267
 C     -0.646886     -0.594532      0.637216    0.00  -0.003269751   0.000265275  -0.007499691
 C     -1.602837     -1.545378      0.156467    0.00   0.002615622   0.001829682   0.003702505
 C     -2.773625     -1.125704     -0.431187    0.00  -0.002531196   0.003215113   0.000196593
 H      0.769339      1.606497      1.629064    0.00  -0.001547016   0.000680639   0.001014437
 H     -3.990491      0.563056     -1.041500    0.00   0.000138958   0.000202956   0.000052990
 H     -2.359600      2.261017     -0.223283    0.00   0.000270981  -0.000082847   0.000116125
 C      0.141179      1.723302      0.744518    0.00   0.037234850  -0.011556729  -0.031126546
 C      0.671944     -1.007242      1.025539    0.00   0.020876904   0.008867554  -0.022058129
 H     -1.381013     -2.605958      0.260454    0.00   0.000024585   0.000098281   0.000046309
 H     -3.499572     -1.849028     -0.803179    0.00   0.000156037  -0.000051455  -0.000023076
 H      0.880211     -2.072168      1.073603    0.00   0.000744981   0.000414530  -0.001332508
 S      1.897972     -0.191043     -0.545795    0.00  -0.023214805  -0.020076610   0.024367486
 O      1.306747      1.239651     -0.437885    0.00  -0.035089384   0.023351160   0.032186368
 O      3.205489     -0.638024     -0.140386    0.00   0.000274530   0.003373370   0.003272133
 H      1.150027     -0.508402      1.867474    0.00  -0.001255440  -0.001035781   0.001021543
 H      0.000686      2.762515      0.445536    0.00   0.001684278  -0.000680572  -0.001877048
19
 Energy =     -0.0346978928944
 C     -3.058891      0.258754     -0.568305    0.00  -0.000463550  -0.003437436   0.001708196
 C     -2.154995      1.195917     -0.110297    0.00   0.004505623  -0.000007391   0.004315258
 C     -0.937490      0.784524      0.500496    0.00  -0.000290843  -0.004341285  -0.008320138
 C     -0.648341     -0.594529      0.633342    0.00  -0.002301944  -0.000430543  -0.008048855
 C     -1.601541     -1.544510      0.158331    0.00   0.002522703   0.001628814   0.003761227
 C     -2.774902     -1.124121     -0.431044    0.00  -0.002580002   0.003078623   0.000411400
 H      0.760640      1.610583      1.635158    0.00  -0.001536147   0.000718658   0.000777917
 H     -3.989638      0.564297     -1.041164    0.00   0.000150706   0.000217781   0.000062876
 H     -2.358021      2.260575     -0.222557    0.00   0.000269605  -0.000072374   0.000134121
 C      0.159830      1.717421      0.728716    0.00   0.037540459  -0.012171345  -0.032038805
 C      0.682394     -1.002801      1.014334    0.00   0.021070845   0.009103950  -0.022986027
 H     -1.380953     -2.605451      0.260748    0.00  -0.000003595   0.000077715   0.000055916
 H     -3.498666     -1.849360     -0.803297    0.00   0.000154577  -0.000057549  -0.000013136
 H      0.884931     -2.069672      1.065275    0.00   0.000860178   0.000434902  -0.001495931
 S      1.893477     -0.194921     -0.541100    0.00  -0.025076298  -0.021522896   0.026086410
 O      1.293565      1.248602     -0.425684    0.00  -0.035298310   0.024515253   0.033046795
 O      3.205558     -0.636666     -0.139123    0.00   0.000050359   0.003967970   0.003504755
 H      1.142906     -0.514376      1.873424    0.00  -0.001200117  -0.001041874   0.000842040
 H      0.010521      2.758490      0.434596    0.00   0.001625751  -0.000660973  -0.001804017
19
 Energy =     -0.0411368168459
 C     -3.059106      0.257117     -0.567391    0.00  -0.000396655  -0.003072696   0.001984061
 C     -2.152797      1.195939     -0.108156    0.00   0.004272982   0.000083908   0.004266972
 C     -0.937408      0.782531      0.496250    0.00   0.000787794  -0.003486054  -0.008750179
 C     -0.649235     -0.594859      0.629243    0.00  -0.001081237  -0.001009056  -0.008423380
 C     -1.600327     -1.543769      0.160177    0.00   0.002306218   0.001319092   0.003639028
 C     -2.776168     -1.122650     -0.430777    0.00  -0.002486457   0.002778937   0.000691444
 H      0.752211      1.614775      1.639630    0.00  -0.001434925   0.000709876   0.000501840
 H     -3.988745      0.565604     -1.040743    0.00   0.000154191   0.000224528   0.000082482
 H     -2.356479      2.260204     -0.221706    0.00   0.000257164  -0.000058283   0.000157851
 C      0.178100      1.711412      0.712896    0.00   0.035638206  -0.011982352  -0.031115937
 C      0.692729     -0.998335      1.002841    0.00   0.020450509   0.008945392  -0.023207513
 H     -1.381071     -2.605083      0.261124    0.00  -0.000035989   0.000051571   0.000073780
 H     -3.497800     -1.849710     -0.803324    0.00   0.000141144  -0.000058391   0.000007507
 H      0.890282     -2.067110      1.056077    0.00   0.000954251   0.000435672  -0.001619962
 S      1.888686     -0.198997     -0.536145    0.00  -0.026347583  -0.022212181   0.027102731
 O      1.280708      1.257740     -0.413497    0.00  -0.033275401   0.024323571   0.032014164
 O      3.205517     -0.635077     -0.137790    0.00  -0.000308792   0.004609864   0.003644993
 H      1.136322     -0.520266      1.878084    0.00  -0.001071981  -0.001004972   0.000601580
 H      0.019749      2.754678      0.424335    0.00   0.001476559  -0.000598426  -0.001651462
19
 Energy =     -0.0472572028968
 C     -3.059287      0.255632     -0.566287    0.00  -0.000294857  -0.002551433   0.002255699
 C     -2.150644      1.196003     -0.105978    0.00   0.003921056   0.000150427   0.004040079
 C     -0.936741      0.780881      0.491622    0.00   0.001870576  -0.002706538  -0.008953148
 C     -0.649497     -0.595472      0.624773    0.00   0.000235885  -0.001406241  -0.008669833
 C     -1.599185     -1.543171      0.162013    0.00   0.002016917   0.000941766   0.003363495
 C     -2.777417     -1.121293     -0.430334    0.00  -0.002274062   0.002370791   0.001024325
 H      0.744144      1.619016      1.642561    0.00  -0.001265800   0.000660899   0.000241616
 H     -3.987814      0.566996     -1.040147    0.00   0.000148555   0.000222748   0.000112592
 H     -2.354961      2.259905     -0.220641    0.00   0.000235306  -0.000042604   0.000188117
 C      0.195773      1.705418      0.697226    0.00   0.031614902  -0.010856230  -0.028283940
 C      0.703093     -0.993817      0.990809    0.00   0.019166326   0.008408413  -0.022763978
 H     -1.381398     -2.604867      0.261659    0.00  -0.000068622   0.000023022   0.000100236
 H     -3.497007     -1.850063     -0.803186    0.00   0.000116202  -0.000053227   0.000039981
 H      0.896396     -2.064473      1.045779    0.00   0.001013905   0.000413611  -0.001691634
 S      1.883459     -0.203354     -0.530808    0.00  -0.026973181  -0.022242830   0.027345595
 O      1.268404      1.267020     -0.401456    0.00  -0.029042961   0.022823040   0.029025467
 O      3.205311     -0.633147     -0.136348    0.00  -0.000772092   0.005276617   0.003720036
 H      1.130356     -0.526142      1.881374    0.00  -0.000892920  -0.000939214   0.000336162
 H      0.028270      2.751165      0.414721    0.00   0.001244864  -0.000493019  -0.001430865
19
 Energy =     -0.0527699585848
 C     -3.059421      0.254320     -0.564907    0.00  -0.000170629  -0.001936145   0.002509991
 C     -2.148489      1.196102     -0.103742    0.00   0.003481595   0.000182215   0.003652413
 C     -0.935400      0.779471      0.486437    0.00   0.002809045  -0.002083368  -0.008917643
 C     -0.649019     -0.596332      0.619700    0.00   0.001519775  -0.001604345  -0.008817717
 C     -1.598098     -1.542738      0.163850    0.00   0.001701575   0.000535013   0.002954902
 C     -2.778650     -1.120045     -0.429637    0.00  -0.001965994   0.001902133   0.001398534
 H      0.736467      1.623288      1.644127    0.00  -0.001054342   0.000581340   0.000041770
 H     -3.986858      0.568498     -1.039239    0.00   0.000132544   0.000211701   0.000153769
 H     -2.353454      2.259679     -0.219226    0.00   0.000205054  -0.000026936   0.000224914
 C      0.212497      1.699692      0.682010    0.00   0.025683468  -0.008750195  -0.023609237
 C      0.713682     -0.989220      0.977900    0.00   0.017308859   0.007492543  -0.021641331
 H     -1.381975     -2.604824      0.262465    0.00  -0.000097487  -0.000005092   0.000134600
 H     -3.496338     -1.850396     -0.802759    0.00   0.000080067  -0.000041827   0.000086131
 H      0.903439     -2.061778      1.034060    0.00   0.001025222   0.000364765  -0.001698311
 S      1.877596     -0.208133     -0.524924    0.00  -0.026856912  -0.021690581   0.026681724
 O      1.257037      1.276407     -0.389797    0.00  -0.022762378   0.020135243   0.024163447
 O      3.204866     -0.630713     -0.134722    0.00  -0.001299636   0.005941943   0.003760352
 H      1.125078     -0.532153      1.883190    0.00  -0.000684981  -0.000858273   0.000076652
 H      0.035884      2.748107      0.405784    0.00   0.000945155  -0.000350136  -0.001154959
19
 Energy =     -0.0574459906533
 C     -3.059492      0.253209     -0.563116    0.00  -0.000043597  -0.001292957   0.002726761
 C     -2.146278      1.196227     -0.101426    0.00   0.002971867   0.000173771   0.003116324
 C     -0.933252      0.778185      0.480439    0.00   0.003479129  -0.001634656  -0.008611153
 C     -0.647615     -0.597421      0.613649    0.00   0.002646041  -0.001614754  -0.008867492
 C     -1.597030     -1.542505      0.165693    0.00   0.001404662   0.000135783   0.002423907
 C     -2.779868     -1.118905     -0.428546    0.00  -0.001588146   0.001415898   0.001799820
 H      0.729163      1.627609      1.644602    0.00  -0.000827192   0.000483431  -0.000069703
 H     -3.985911      0.570138     -1.037783    0.00   0.000104109   0.000190041   0.000206232
 H     -2.351955      2.259535     -0.217234    0.00   0.000166798  -0.000012637   0.000266394
 C      0.227647      1.694679      0.667797    0.00   0.018379747  -0.005814059  -0.017495915
 C      0.724715     -0.984559      0.963689    0.00   0.014903292   0.006170774  -0.019750793
 H     -1.382858     -2.604993      0.263722    0.00  -0.000118143  -0.000029995   0.000174207
 H     -3.495887     -1.850669     -0.801811    0.00   0.000032897  -0.000024795   0.000148672
 H      0.911583     -2.059101      1.020488    0.00   0.000972038   0.000283800  -0.001625125
 S      1.870819     -0.213556     -0.518291    0.00  -0.025841653  -0.020569413   0.024892024
 O      1.247288      1.285843     -0.378941    0.00  -0.014937037   0.016529741   0.017858733
 O      3.204065     -0.627507     -0.132783    0.00  -0.001838097   0.006569686   0.003798069
 H      1.120589     -0.538559      1.883352    0.00  -0.000471526  -0.000774789  -0.000147207
 H      0.042229      2.745759      0.397671    0.00   0.000604813  -0.000184871  -0.000843754
19
 Energy =     -0.0611832604656
 C     -3.059482      0.252352     -0.560712    0.00   0.000052204  -0.000708043   0.002875218
 C     -2.143974      1.196360     -0.099043    0.00   0.002414855   0.000128785   0.002457370
 C     -0.930128      0.776906      0.473323    0.00   0.003790472  -0.001320041  -0.007999310
 C     -0.645005     -0.598729      0.606084    0.00   0.003453256  -0.001468901  -0.008770137
 C     -1.595925     -1.542540      0.167493    0.00   0.001171650  -0.000212322   0.001781065
 C     -2.781053     -1.117886     -0.426832    0.00  -0.001184635   0.000958055   0.002198374
 H      0.722211      1.632014      1.644393    0.00  -0.000613133   0.000383853  -0.000092093
 H     -3.985091      0.571910     -1.035367    0.00   0.000061119   0.000156413   0.000268330
 H     -2.350507      2.259486     -0.214315    0.00   0.000121481  -0.000001362   0.000305866
 C      0.240157      1.691108      0.655527    0.00   0.010920127  -0.002576022  -0.011030943
 C      0.736244     -0.980040      0.947872    0.00   0.011956945   0.004411426  -0.016958181
 H     -1.384109     -2.605431      0.265701    0.00  -0.000125217  -0.000048461   0.000211446
 H     -3.495859     -1.850816     -0.799883    0.00  -0.000024118  -0.000004714   0.000229347
 H      0.920829     -2.056717      1.004699    0.00   0.000837769   0.000166042  -0.001456511
 S      1.862821     -0.219893     -0.510774    0.00  -0.023729205  -0.018813004   0.021708180
 O      1.240322      1.295181     -0.369599    0.00  -0.006791255   0.012575521   0.011246823
 O      3.202735     -0.623113     -0.130320    0.00  -0.002306725   0.007101719   0.003862762
 H      1.117052     -0.545760      1.881631    0.00  -0.000282736  -0.000700479  -0.000300125
 H      0.046694      2.744521      0.390722    0.00   0.000277148  -0.000028466  -0.000537481
19
 Energy =     -0.0640649991574
 C     -3.059406      0.251807     -0.557483    0.00   0.000069539  -0.000288986   0.002924853
 C     -2.141608      1.196473     -0.096725    0.00   0.001875950   0.000067669   0.001752941
 C     -0.925936      0.775568      0.464934    0.00   0.003729869  -0.001055145  -0.007121630
 C     -0.640986     -0.600205      0.596519    0.00   0.003737261  -0.001224038  -0.008406935
 C     -1.594705     -1.542924      0.169062    0.00   0.001031428  -0.000458371   0.001065560
 C     -2.782169     -1.117034     -0.424195    0.00  -0.000842016   0.000579040   0.002529215
 H      0.715640      1.636532      1.643989    0.00  -0.000441647   0.000302944  -0.000063755
 H     -3.984684      0.573689     -1.031374    0.00   0.000005454   0.000112872   0.000333253
 H     -2.349254      2.259542     -0.210103    0.00   0.000074250   0.000004483   0.000328011
 C      0.248842      1.689821      0.646250    0.00   0.005178535   0.000019828  -0.005962453
 C      0.747696     -0.976346      0.930947    0.00   0.008621076   0.002294147  -0.013290837
 H     -1.385707     -2.606190      0.268656    0.00  -0.000113969  -0.000057034   0.000229926
 H     -3.496615     -1.850750     -0.796212    0.00  -0.000085536   0.000012591   0.000322028
 H      0.930456     -2.055323      0.987091    0.00   0.000622126   0.000019181  -0.001194269
 S      1.853566     -0.227238     -0.502657    0.00  -0.020465792  -0.016353662   0.017099344
 O      1.237570      1.304137     -0.362522    0.00  -0.000285989   0.009131715   0.006144454
 O      3.200695     -0.617036     -0.127050    0.00  -0.002594922   0.007457874   0.003958917
 H      1.114562     -0.554231      1.878077    0.00  -0.000156379  -0.000642826  -0.000345115
 H      0.048649      2.744800      0.385354    0.00   0.000040764   0.000077718  -0.000303505
19
 Energy =     -0.0662846237038
 C     -3.059363      0.251540     -0.553297    0.00  -0.000018542  -0.000089079   0.002883202
 C     -2.139247      1.196541     -0.094696    0.00   0.001447785   0.000018226   0.001116303
 C     -0.920793      0.774226      0.455418    0.00   0.003401829  -0.000781823  -0.006145193
 C     -0.635801     -0.601745      0.584943    0.00   0.003406050  -0.000963004  -0.007637712
 C     -1.593287     -1.543693      0.170058    0.00   0.000940447  -0.000578088   0.000359541
 C     -2.783241     -1.116401     -0.420407    0.00  -0.000667354   0.000302379   0.002708093
 H      0.709400      1.641257      1.643660    0.00  -0.000327358   0.000250198  -0.000039850
 H     -3.985143      0.575227     -1.025141    0.00  -0.000052338   0.000068936   0.000389801
 H     -2.348382      2.259674     -0.204564    0.00   0.000036413   0.000003361   0.000314368
 C      0.253798      1.690962      0.639872    0.00   0.002189674   0.001308446  -0.003274511
 C      0.757714     -0.974667      0.914650    0.00   0.005332318   0.000158084  -0.009245769
 H     -1.387436     -2.607253      0.272487    0.00  -0.000085972  -0.000055166   0.000210117
 H     -3.498615     -1.850444     -0.789907    0.00  -0.000141031   0.000021494   0.000405917
 H      0.938759     -2.055996      0.969300    0.00   0.000365888  -0.000123254  -0.000883486
 S      1.843564     -0.235265     -0.494880    0.00  -0.016427427  -0.013333298   0.011727328
 O      1.239541      1.312561     -0.357523    0.00   0.003396719   0.006689154   0.003558354
 O      3.197889     -0.608900     -0.122712    0.00  -0.002625130   0.007583449   0.004029269
 H      1.112701     -0.564415      1.873565    0.00  -0.000112457  -0.000597617  -0.000284248
 H      0.048292      2.746558      0.381323    0.00  -0.000059515   0.000117599  -0.000191524
19
 Energy =     -0.0680091109849
 C     -3.059565      0.251404     -0.548034    0.00  -0.000194342  -0.000041938   0.002797094
 C     -2.136867      1.196559     -0.093150    0.00   0.001158106  -0.000014946   0.000596799
 C     -0.914906      0.772995      0.444933    0.00   0.002945616  -0.000533671  -0.005225839
 C     -0.630173     -0.603294      0.571898    0.00   0.002631292  -0.000760546  -0.006442878
 C     -1.591680     -1.544816      0.170112    0.00   0.000787135  -0.000597633  -0.000245405
 C     -2.784508     -1.116014     -0.415384    0.00  -0.000705493   0.000109354   0.002693020
 H      0.703231      1.646393      1.643271    0.00  -0.000257569   0.000213468  -0.000038594
 H     -3.986923      0.576360     -1.016058    0.00  -0.000099307   0.000037046   0.000429484
 H     -2.347897      2.259804     -0.198229    0.00   0.000018479  -0.000002441   0.000258668
 C      0.256700      1.693693      0.634895    0.00   0.001181211   0.001508012  -0.002289031
 C      0.764970     -0.976074      0.900898    0.00   0.002627748  -0.001499545  -0.005662183
 H     -1.388957     -2.608545      0.276471    0.00  -0.000051979  -0.000047809   0.000146853
 H     -3.502303     -1.849981     -0.780325    0.00  -0.000181855   0.000023624   0.000454494
 H      0.943952     -2.059614      0.953166    0.00   0.000136421  -0.000219411  -0.000595820
 S      1.833566     -0.243411     -0.488535    0.00  -0.012301659  -0.010170810   0.006781086
 O      1.245532      1.320579     -0.353306    0.00   0.004899441   0.004962463   0.002722935
 O      3.194436     -0.598418     -0.117101    0.00  -0.002411604   0.007474987   0.003977026
 H      1.110444     -0.576658      1.869488    0.00  -0.000123992  -0.000548552  -0.000179770
 H      0.046890      2.749197      0.377334    0.00  -0.000057651   0.000108346  -0.000177939
19
 Energy =     -0.0693712108687
 C     -3.060301      0.251274     -0.541589    0.00  -0.000419389  -0.000036137   0.002696240
 C     -2.134407      1.196512     -0.092280    0.00   0.000963902  -0.000049079   0.000181646
 C     -0.908566      0.771910      0.433690    0.00   0.002449640  -0.000383186  -0.004404555
 C     -0.625038     -0.604896      0.558499    0.00   0.001744198  -0.000650376  -0.005040346
 C     -1.590149     -1.546217      0.168981    0.00   0.000508038  -0.000561038  -0.000666715
 C     -2.786418     -1.115884     -0.409270    0.00  -0.000901102  -0.000011976   0.002515606
 H      0.696944      1.651895      1.642566    0.00  -0.000211601   0.000176752  -0.000048448
 H     -3.990334      0.577182     -1.003789    0.00  -0.000128954   0.000023226   0.000448832
 H     -2.347480      2.259848     -0.192245    0.00   0.000022059  -0.000007835   0.000173372
 C      0.259143      1.696877      0.629949    0.00   0.000967222   0.001184000  -0.001979593
 C      0.768855     -0.980768      0.890661    0.00   0.000859402  -0.002334142  -0.003222333
 H     -1.390039     -2.609998      0.279329    0.00  -0.000027160  -0.000042097   0.000059493
 H     -3.507970     -1.849451     -0.767604    0.00  -0.000204386   0.000025521   0.000454512
 H      0.945222     -2.066173      0.939742    0.00  -0.000014495  -0.000250432  -0.000387739
 S      1.824327     -0.251074     -0.484274    0.00  -0.008721128  -0.007392747   0.003268685
 O      1.254643      1.328040     -0.348764    0.00   0.005294785   0.003572296   0.002495625
 O      3.190640     -0.585542     -0.110238    0.00  -0.002023248   0.007143788   0.003752676
 H      1.106988     -0.590708      1.866721    0.00  -0.000140496  -0.000480944  -0.000097588
 H      0.045858      2.751892      0.371984    0.00  -0.000017286   0.000074405  -0.000199370
19
 Energy =     -0.0704806884159
 C     -3.061869      0.251162     -0.534001    0.00  -0.000648097  -0.000004841   0.002571926
 C     -2.131871      1.196355     -0.092257    0.00   0.000810254  -0.000090980  -0.000136159
 C     -0.902195      0.770844      0.422123    0.00   0.001964790  -0.000344126  -0.003674941
 C     -0.621103     -0.606669      0.545955    0.00   0.001009122  -0.000614401  -0.003774023
 C     -1.589177     -1.547793      0.166723    0.00   0.000155449  -0.000500602  -0.000870220
 C     -2.789412     -1.115956     -0.402411    0.00  -0.001137372  -0.000056112   0.002264134
 H      0.690580      1.657322      1.641400    0.00  -0.000177660   0.000136971  -0.000059272
 H     -3.995430      0.578026     -0.988541    0.00  -0.000142434   0.000023759   0.000447669
 H     -2.346583      2.259758     -0.187977    0.00   0.000037812  -0.000009536   0.000083290
 C      0.261820      1.699609      0.624495    0.00   0.000907528   0.000741583  -0.001820339
 C      0.769844     -0.987756      0.883376    0.00  -0.000030590  -0.002432894  -0.001961898
 H     -1.390822     -2.611584      0.279914    0.00  -0.000020654  -0.000040023  -0.000019040
 H     -3.515579     -1.848827     -0.752802    0.00  -0.000211269   0.000029815   0.000417967
 H      0.943235     -2.074597      0.928799    0.00  -0.000081749  -0.000233126  -0.000267891
 S      1.816424     -0.257839     -0.481945    0.00  -0.005921325  -0.005294150   0.001350257
 O      1.266019      1.334477     -0.343592    0.00   0.005147010   0.002435097   0.002318617
 O      3.186971     -0.570689     -0.102454    0.00  -0.001541650   0.006616751   0.003401280
 H      1.102432     -0.605512      1.865019    0.00  -0.000137610  -0.000399453  -0.000059005
 H      0.045951      2.753926      0.364743    0.00   0.000018442   0.000036267  -0.000212352
19
 Energy =     -0.0714066387986
 C     -3.064478      0.251195     -0.525406    0.00  -0.000834674   0.000058940   0.002406265
 C     -2.129329      1.196049     -0.093134    0.00   0.000661318  -0.000126830  -0.000350034
 C     -0.896157      0.769580      0.410602    0.00   0.001522151  -0.000367241  -0.003046289
 C     -0.618530     -0.608748      0.534707    0.00   0.000502577  -0.000611295  -0.002838896
 C     -1.589187     -1.549455      0.163666    0.00  -0.000178823  -0.000430524  -0.000894948
 C     -2.793743     -1.116073     -0.395060    0.00  -0.001324102  -0.000033639   0.002019691
 H      0.684178      1.662215      1.639743    0.00  -0.000151708   0.000099201  -0.000066794
 H     -4.002092      0.579266     -0.970836    0.00  -0.000143495   0.000030733   0.000428620
 H     -2.344784      2.259550     -0.186227    0.00   0.000052960  -0.000008755   0.000010440
 C      0.264760      1.701438      0.618498    0.00   0.000813489   0.000359046  -0.001661568
 C      0.769008     -0.995703      0.877600    0.00  -0.000370450  -0.002157712  -0.001437327
 H     -1.391823     -2.613309      0.277990    0.00  -0.000029849  -0.000037951  -0.000067896
 H     -3.524920     -1.847971     -0.736966    0.00  -0.000208569   0.000035287   0.000369417
 H      0.939416     -2.083620      0.919222    0.00  -0.000095769  -0.000196648  -0.000207495
 S      1.810126     -0.263655     -0.480865    0.00  -0.003758068  -0.003808409   0.000508256
 O      1.278808      1.339615     -0.337945    0.00   0.004667297   0.001571400   0.002078014
 O      3.183888     -0.554462     -0.094101    0.00  -0.001037814   0.005940338   0.003007498
 H      1.097310     -0.620051      1.863549    0.00  -0.000122873  -0.000320807  -0.000049870
 H      0.047133      2.754949      0.355896    0.00   0.000036400   0.000004865  -0.000207082
19
 Energy =     -0.0721865235206
 C     -3.068212      0.251521     -0.515972    0.00  -0.000951698   0.000136065   0.002197611
 C     -2.126908      1.195604     -0.094821    0.00   0.000503797  -0.000143035  -0.000461932
 C     -0.890677      0.767958      0.399255    0.00   0.001137489  -0.000400950  -0.002529865
 C     -0.617127     -0.611215      0.524460    0.00   0.000191051  -0.000608006  -0.002228072
 C     -1.590408     -1.551136      0.160195    0.00  -0.000442315  -0.000356327  -0.000811139
 C     -2.799490     -1.116043     -0.387241    0.00  -0.001430354   0.000025278   0.001818807
 H      0.677667      1.666318      1.637625    0.00  -0.000132076   0.000067077  -0.000070006
 H     -4.010130      0.581150     -0.951231    0.00  -0.000135424   0.000038181   0.000395936
 H     -2.342026      2.259284     -0.187008    0.00   0.000059818  -0.000007792  -0.000035409
 C      0.267731      1.702262      0.612079    0.00   0.000666659   0.000083340  -0.001481580
 C      0.767240     -1.003770      0.872114    0.00  -0.000447485  -0.001795832  -0.001247928
 H     -1.393644     -2.615156      0.274125    0.00  -0.000046401  -0.000033712  -0.000086192
 H     -3.535857     -1.846727     -0.720476    0.00  -0.000200514   0.000040928   0.000326156
 H      0.934893     -2.092514      0.909925    0.00  -0.000087199  -0.000159457  -0.000178014
 S      1.805598     -0.268626     -0.480399    0.00  -0.002038608  -0.002735100   0.000211820
 O      1.292191      1.343461     -0.332079    0.00   0.003985354   0.000955746   0.001784963
 O      3.181758     -0.537429     -0.085359    0.00  -0.000563934   0.005166761   0.002635894
 H      1.091927     -0.633901      1.861662    0.00  -0.000107556  -0.000256567  -0.000052475
 H      0.048978      2.754918      0.345986    0.00   0.000039396  -0.000016597  -0.000188576
19
 Energy =     -0.0728445166528
 C     -3.073050      0.252252     -0.505888    0.00  -0.000998128   0.000205812   0.001961635
 C     -2.124783      1.195082     -0.097126    0.00   0.000341693  -0.000139233  -0.000488313
 C     -0.885892      0.765915      0.388051    0.00   0.000814740  -0.000417580  -0.002115717
 C     -0.616611     -0.614079      0.514664    0.00   0.000015278  -0.000588296  -0.001847727
 C     -1.592913     -1.552774      0.156633    0.00  -0.000621950  -0.000281723  -0.000678984
 C     -2.806632     -1.115704     -0.378835    0.00  -0.001459648   0.000090520   0.001662351
 H      0.670920      1.669510      1.635105    0.00  -0.000116615   0.000041293  -0.000069568
 H     -4.019314      0.583779     -0.930286    0.00  -0.000121608   0.000043283   0.000354666
 H     -2.338575      2.259032     -0.189777    0.00   0.000057314  -0.000007374  -0.000055960
 C      0.270443      1.702158      0.605380    0.00   0.000493025  -0.000093048  -0.001291399
 C      0.765069     -1.011654      0.866172    0.00  -0.000420217  -0.001471321  -0.001190095
 H     -1.396743     -2.617070      0.269177    0.00  -0.000062710  -0.000027904  -0.000083588
 H     -3.548348     -1.844978     -0.703155    0.00  -0.000188496   0.000046101   0.000293254
 H      0.930255     -2.101059      0.900090    0.00  -0.000072836  -0.000128237  -0.000164693
 S      1.803035     -0.272812     -0.480139    0.00  -0.000663117  -0.001915929   0.000150441
 O      1.305394      1.346142     -0.326268    0.00   0.003220694   0.000534121   0.001461172
 O      3.180856     -0.520156     -0.076245    0.00  -0.000156041   0.004348219   0.002324249
 H      1.086303     -0.647162      1.859032    0.00  -0.000095334  -0.000209909  -0.000058085
 H      0.051016      2.753956      0.335534    0.00   0.000033955  -0.000028794  -0.000163640
19
 Energy =     -0.0734010687165
 C     -3.078892      0.253439     -0.495356    0.00  -0.000989615   0.000254531   0.001722726
 C     -2.123149      1.194556     -0.099794    0.00   0.000187583  -0.000123483  -0.000453532
 C     -0.881901      0.763481      0.376947    0.00   0.000552513  -0.000409455  -0.001779687
 C     -0.616728     -0.617276      0.504832    0.00  -0.000077400  -0.000549060  -0.001603169
 C     -1.596661     -1.554307      0.153224    0.00  -0.000723800  -0.000210935  -0.000538563
 C     -2.815065     -1.114969     -0.369707    0.00  -0.001426109   0.000142248   0.001535091
 H      0.663881      1.671726      1.632229    0.00  -0.000102803   0.000021366  -0.000066540
 H     -4.029380      0.587131     -0.908575    0.00  -0.000105695   0.000045302   0.000310247
 H     -2.334866      2.258854     -0.193759    0.00   0.000048216  -0.000007149  -0.000058682
 C      0.272642      1.701263      0.598544    0.00   0.000324420  -0.000193758  -0.001108163
 C      0.762774     -1.019308      0.859316    0.00  -0.000359758  -0.001211745  -0.001183030
 H     -1.401338     -2.618969      0.263934    0.00  -0.000074211  -0.000021710  -0.000070893
 H     -3.562323     -1.842677     -0.684675    0.00  -0.000172744   0.000050124   0.000268358
 H      0.925740     -2.109275      0.889024    0.00  -0.000059207  -0.000103422  -0.000161071
 S      1.802629     -0.276186     -0.479857    0.00   0.000400083  -0.001266466   0.000170612
 O      1.317727      1.347813     -0.320831    0.00   0.002476102   0.000258022   0.001125411
 O      3.181349     -0.503260     -0.066643    0.00   0.000162484   0.003538368   0.002092695
 H      1.080393     -0.660206      1.855500    0.00  -0.000085489  -0.000178948  -0.000064345
 H      0.052876      2.752252      0.324990    0.00   0.000025430  -0.000033831  -0.000137465
19
 Energy =     -0.0738760161073
 C     -3.085572      0.255053     -0.484578    0.00  -0.000945623   0.000277528   0.001504213
 C     -2.122178      1.194089     -0.102537    0.00   0.000054968  -0.000103973  -0.000381853
 C     -0.878773      0.760763      0.366002    0.00   0.000348573  -0.000380407  -0.001500278
 C     -0.617287     -0.620677      0.494700    0.00  -0.000123644  -0.000495134  -0.001428382
 C     -1.601495     -1.555678      0.150134    0.00  -0.000761165  -0.000148559  -0.000413590
 C     -2.824565     -1.113830     -0.359826    0.00  -0.001346090   0.000172187   0.001420240
 H      0.656662      1.672935      1.629017    0.00  -0.000088838   0.000006621  -0.000061780
 H     -4.040031      0.591069     -0.886667    0.00  -0.000090751   0.000044574   0.000267752
 H     -2.331359      2.258785     -0.198172    0.00   0.000036236  -0.000006700  -0.000051458
 C      0.274176      1.699742      0.591697    0.00   0.000184595  -0.000242313  -0.000945840
 C      0.760510     -1.026746      0.851261    0.00  -0.000295587  -0.001010942  -0.001193175
 H     -1.407363     -2.620768      0.258949    0.00  -0.000079327  -0.000015940  -0.000055993
 H     -3.577523     -1.839872     -0.664908    0.00  -0.000154045   0.000052371   0.000247192
 H      0.921428     -2.117221      0.876131    0.00  -0.000048124  -0.000083418  -0.000162887
 S      1.804466     -0.278669     -0.479456    0.00   0.001163531  -0.000752847   0.000197983
 O      1.328634      1.348645     -0.316139    0.00   0.001825343   0.000089184   0.000796270
 O      3.183238     -0.487410     -0.056352    0.00   0.000379469   0.002791351   0.001945893
 H      1.074237     -0.673459      1.850967    0.00  -0.000076578  -0.000159595  -0.000070980
 H      0.054328      2.750018      0.314741    0.00   0.000017057  -0.000033989  -0.000113327
19
 Energy =     -0.0742881150426
 C     -3.092860      0.256996     -0.473729    0.00  -0.000882313   0.000278150   0.001320728
 C     -2.121962      1.193714     -0.105063    0.00  -0.000047112  -0.000085213  -0.000292730
 C     -0.876510      0.757913      0.355383    0.00   0.000199369  -0.000339164  -0.001265416
 C     -0.618151     -0.624121      0.484239    0.00  -0.000144612  -0.000434646  -0.001287361
 C     -1.607145     -1.556847      0.147439    0.00  -0.000749955  -0.000098140  -0.000315875
 C     -2.834782     -1.112360     -0.349328    0.00  -0.001236572   0.000181739   0.001307338
 H      0.649554      1.673165      1.625471    0.00  -0.000074255  -0.000003665  -0.000056116
 H     -4.050965      0.595381     -0.865034    0.00  -0.000078335   0.000041916   0.000230817
 H     -2.328426      2.258830     -0.202351    0.00   0.000024375  -0.000005860  -0.000039962
 C      0.275036      1.697775      0.584944    0.00   0.000084508  -0.000257549  -0.000812285
 C      0.758364     -1.033954      0.841896    0.00  -0.000238727  -0.000856854  -0.001201982
 H     -1.414490     -2.622395      0.254500    0.00  -0.000078668  -0.000011081  -0.000043279
 H     -3.593466     -1.836697     -0.644101    0.00  -0.000134240   0.000052454   0.000226669
 H      0.917346     -2.124912      0.861047    0.00  -0.000039698  -0.000066666  -0.000166311
 S      1.808419     -0.280216     -0.478947    0.00   0.001653520  -0.000362842   0.000203351
 O      1.337777      1.348835     -0.312557    0.00   0.001304657  -0.000006087   0.000491557
 O      3.186315     -0.473180     -0.045140    0.00   0.000495608   0.002152232   0.001871381
 H      1.068003     -0.687218      1.845388    0.00  -0.000067882  -0.000147402  -0.000077621
 H      0.055287      2.747472      0.305092    0.00   0.000010330  -0.000031322  -0.000092904
19
 Energy =     -0.0746531377844
 C     -3.100493      0.259139     -0.462917    0.00  -0.000810704   0.000264555   0.001175654
 C     -2.122481      1.193440     -0.107119    0.00  -0.000116774  -0.000068495  -0.000199528
 C     -0.875025      0.755083      0.345280    0.00   0.000097709  -0.000294441  -0.001068955
 C     -0.619213     -0.627460      0.473581    0.00  -0.000150747  -0.000375192  -0.001164963
 C     -1.613272     -1.557806      0.145112    0.00  -0.000706685  -0.000060722  -0.000248347
 C     -2.845301     -1.110672     -0.338475    0.00  -0.001113347   0.000177642   0.001193523
 H      0.642929      1.672528      1.621578    0.00  -0.000059610  -0.000010292  -0.000050533
 H     -4.061907      0.599843     -0.843944    0.00  -0.000068431   0.000038269   0.000200983
 H     -2.326274      2.258972     -0.205800    0.00   0.000014353  -0.000004680  -0.000027398
 C      0.275343      1.695531      0.578339    0.00   0.000023096  -0.000253305  -0.000708793
 C      0.756378     -1.040905      0.831291    0.00  -0.000192084  -0.000738681  -0.001198630
 H     -1.422244     -2.623816      0.250598    0.00  -0.000073996  -0.000007355  -0.000034410
 H     -3.609567     -1.833317     -0.622785    0.00  -0.000115379   0.000050451   0.000205702
 H      0.913504     -2.132326      0.843754    0.00  -0.000033507  -0.000052337  -0.000168458
 S      1.814135     -0.280871     -0.478399    0.00   0.001920405  -0.000086283   0.000186465
 O      1.345089      1.348578     -0.310355    0.00   0.000913978  -0.000057395   0.000224067
 O      3.190189     -0.460867     -0.032816    0.00   0.000525539   0.001644600   0.001843704
 H      1.061919     -0.701583      1.838800    0.00  -0.000059443  -0.000138846  -0.000083431
 H      0.055802      2.744802      0.296205    0.00   0.000005626  -0.000027492  -0.000076654
19
 Energy =     -0.0749826949244
 C     -3.108231      0.261374     -0.452168    0.00  -0.000737509   0.000245296   0.001064147
 C     -2.123622      1.193264     -0.108527    0.00  -0.000158375  -0.000053706  -0.000110252
 C     -0.874157      0.752381      0.335826    0.00   0.000033134  -0.000252196  -0.000905738
 C     -0.620386     -0.630603      0.462891    0.00  -0.000147458  -0.000321495  -0.001056206
 C     -1.619558     -1.558576      0.143044    0.00  -0.000646351  -0.000034750  -0.000208040
 C     -2.855754     -1.108869     -0.327555    0.00  -0.000988605   0.000167079   0.001080513
 H      0.637110      1.671194      1.617319    0.00  -0.000045744  -0.000014115  -0.000045848
 H     -4.072657      0.604296     -0.823437    0.00  -0.000060266   0.000034412   0.000177944
 H     -2.324940      2.259197     -0.208201    0.00   0.000006736  -0.000003334  -0.000015281
 C      0.275289      1.693153      0.571877    0.00  -0.000007918  -0.000239100  -0.000631571
 C      0.754563     -1.047591      0.819653    0.00  -0.000155145  -0.000647647  -0.001178877
 H     -1.430165     -2.625031      0.247059    0.00  -0.000067225  -0.000004710  -0.000029387
 H     -3.625316     -1.829870     -0.601546    0.00  -0.000098696   0.000046950   0.000184594
 H      0.909889     -2.139441      0.824531    0.00  -0.000029013  -0.000040212  -0.000167936
 S      1.821149     -0.280776     -0.477886    0.00   0.002027015   0.000092554   0.000159755
 O      1.350718      1.348015     -0.309660    0.00   0.000630601  -0.000086835  -0.000001297
 O      3.194419     -0.450424     -0.019285    0.00   0.000493747   0.001267198   0.001835370
 H      1.056172     -0.716502      1.831316    0.00  -0.000051657  -0.000131781  -0.000087618
 H      0.055993      2.742144      0.288082    0.00   0.000002728  -0.000023609  -0.000064271
19
 Energy =     -0.0752845582718
 C     -3.115893      0.263640     -0.441456    0.00  -0.000666670   0.000226072   0.000978140
 C     -2.125236      1.193183     -0.109181    0.00  -0.000178892  -0.000040392  -0.000028920
 C     -0.873733      0.749859      0.327077    0.00  -0.000005473  -0.000215178  -0.000770105
 C     -0.621602     -0.633515      0.452298    0.00  -0.000138377  -0.000275416  -0.000959355
 C     -1.625759     -1.559187      0.141082    0.00  -0.000580231  -0.000017304  -0.000189015
 C     -2.865880     -1.107021     -0.316807    0.00  -0.000870144   0.000155127   0.000971083
 H      0.632309      1.669354      1.612671    0.00  -0.000033238  -0.000015943  -0.000042367
 H     -4.083092      0.608665     -0.803406    0.00  -0.000053146   0.000030836   0.000160407
 H     -2.324346      2.259500     -0.209378    0.00   0.000001384  -0.000002004  -0.000004226
 C      0.275063      1.690735      0.565512    0.00  -0.000018489  -0.000221025  -0.000574536
 C      0.752907     -1.054029      0.807239    0.00  -0.000126286  -0.000576734  -0.001143393
 H     -1.437911     -2.626067      0.243615    0.00  -0.000059822  -0.000002912  -0.000027452
 H     -3.640373     -1.826436     -0.580860    0.00  -0.000084484   0.000042737   0.000164075
 H      0.906473     -2.146261      0.803801    0.00  -0.000025739  -0.000030225  -0.000164612
 S      1.829017     -0.280125     -0.477448    0.00   0.002030985   0.000193956   0.000135241
 O      1.354904      1.347221     -0.310484    0.00   0.000426017  -0.000107914  -0.000186193
 O      3.198630     -0.441550     -0.004560    0.00   0.000426252   0.001001734   0.001826170
 H      1.050853     -0.731856      1.823101    0.00  -0.000044868  -0.000125200  -0.000089863
 H      0.055998      2.739569      0.280609    0.00   0.000001219  -0.000020215  -0.000055078
19
 Energy =     -0.0755637809286
 C     -3.123363      0.265918     -0.430735    0.00  -0.000600374   0.000209492   0.000909933
 C     -2.127179      1.193198     -0.109035    0.00  -0.000185112  -0.000028263   0.000042925
 C     -0.873604      0.747532      0.319034    0.00  -0.000027277  -0.000183979  -0.000656573
 C     -0.622811     -0.636202      0.441880    0.00  -0.000126261  -0.000236834  -0.000873156
 C     -1.631725     -1.559669      0.139077    0.00  -0.000515460  -0.000005583  -0.000184763
 C     -2.875532     -1.105156     -0.306404    0.00  -0.000761944   0.000144391   0.000867412
 H      0.628629      1.667180      1.607618    0.00  -0.000022321  -0.000016469  -0.000039998
 H     -4.093151      0.612942     -0.783690    0.00  -0.000046696   0.000027734   0.000146893
 H     -2.324362      2.259885     -0.209250    0.00  -0.000002126  -0.000000808   0.000005572
 C      0.274812      1.688333      0.559188    0.00  -0.000016923  -0.000202629  -0.000531685
 C      0.751391     -1.060256      0.794300    0.00  -0.000103762  -0.000520497  -0.001095520
 H     -1.445276     -2.626957      0.239996    0.00  -0.000052682  -0.000001669  -0.000027651
 H     -3.654563     -1.823041     -0.561052    0.00  -0.000072553   0.000038434   0.000144734
 H      0.903218     -2.152805      0.781999    0.00  -0.000023308  -0.000022193  -0.000159005
 S      1.837392     -0.279115     -0.477084    0.00   0.001975393   0.000238817   0.000119293
 O      1.357883      1.346212     -0.312770    0.00   0.000276140  -0.000127349  -0.000335470
 O      3.202568     -0.433839      0.011259    0.00   0.000343795   0.000823616   0.001805680
 H      1.045975     -0.747518      1.814329    0.00  -0.000039200  -0.000118751  -0.000090309
 H      0.055933      2.737102      0.273629    0.00   0.000000670  -0.000017460  -0.000048310
19
 Energy =     -0.0758237690375
 C     -3.130575      0.268211     -0.419965    0.00  -0.000539635   0.000195954   0.000853628
 C     -2.129337      1.193314     -0.108076    0.00  -0.000182193  -0.000017182   0.000105078
 C     -0.873657      0.745388      0.311678    0.00  -0.000038806  -0.000158081  -0.000560635
 C     -0.623982     -0.638686      0.431679    0.00  -0.000113071  -0.000204860  -0.000796356
 C     -1.637374     -1.560046      0.136907    0.00  -0.000455672   0.000002518  -0.000189545
 C     -2.884639     -1.103279     -0.296458    0.00  -0.000665537   0.000135815   0.000770860
 H      0.626100      1.664803      1.602155    0.00  -0.000012992  -0.000016216  -0.000038487
 H     -4.102806      0.617154     -0.764151    0.00  -0.000040779   0.000025115   0.000136153
 H     -2.324854      2.260365     -0.207794    0.00  -0.000004242   0.000000184   0.000014087
 C      0.274636      1.685970      0.552855    0.00  -0.000008905  -0.000185690  -0.000498307
 C      0.749992     -1.066313      0.781051    0.00  -0.000086038  -0.000474891  -0.001039421
 H     -1.452163     -2.627730      0.235983    0.00  -0.000046239  -0.000000744  -0.000029133
 H     -3.667826     -1.819685     -0.542324    0.00  -0.000062572   0.000034396   0.000126901
 H      0.900081     -2.159104      0.759505    0.00  -0.000021445  -0.000015830  -0.000151833
 S      1.846029     -0.277921     -0.476768    0.00   0.001888540   0.000245626   0.000113113
 O      1.359851      1.344970     -0.316432    0.00   0.000163859  -0.000147550  -0.000454495
 O      3.206085     -0.426893      0.028027    0.00   0.000259584   0.000709110   0.001770997
 H      1.041497     -0.763382      1.805164    0.00  -0.000034595  -0.000112368  -0.000089317
 H      0.055884      2.734743      0.266992    0.00   0.000000740  -0.000015305  -0.000043287
19
 Energy =     -0.0760669952019
 C     -3.137492      0.270536     -0.409126    0.00  -0.000484625   0.000185067   0.000805189
 C     -2.131620      1.193535     -0.106316    0.00  -0.000173858  -0.000007241   0.000157820
 C     -0.873817      0.743411      0.304975    0.00  -0.000044021  -0.000136772  -0.000478879
 C     -0.625094     -0.640995      0.421715    0.00  -0.000099975  -0.000178204  -0.000727762
 C     -1.642674     -1.560332      0.134483    0.00  -0.000402446   0.000008284  -0.000198951
 C     -2.893182     -1.101383     -0.287039    0.00  -0.000580807   0.000129255   0.000682186
 H      0.624707      1.662320      1.596286    0.00  -0.000005138  -0.000015540  -0.000037595
 H     -4.112051      0.621338     -0.744689    0.00  -0.000035346   0.000022893   0.000127280
 H     -2.325704      2.260948     -0.205028    0.00  -0.000005354   0.000000949   0.000021376
 C      0.274599      1.683654      0.546477    0.00   0.000002030  -0.000170858  -0.000471136
 C      0.748692     -1.072235      0.767662    0.00  -0.000071872  -0.000437036  -0.000979021
 H     -1.458546     -2.628408      0.231416    0.00  -0.000040650   0.000000034  -0.000031213
 H     -3.680160     -1.816352     -0.524789    0.00  -0.000054235   0.000030768   0.000110712
 H      0.897027     -2.165184      0.736628    0.00  -0.000019963  -0.000010825  -0.000143773
 S      1.854768     -0.276677     -0.476464    0.00   0.001787414   0.000229036   0.000114929
 O      1.360959      1.343461     -0.321371    0.00   0.000078102  -0.000168600  -0.000547856
 O      3.209111     -0.420370      0.045582    0.00   0.000180453   0.000638548   0.001723468
 H      1.037361     -0.779358      1.795745    0.00  -0.000030883  -0.000106106  -0.000087284
 H      0.055914      2.732475      0.260575    0.00   0.000001175  -0.000013654  -0.000039491
19
 Energy =     -0.0762953899159
 C     -3.144099      0.272905     -0.398209    0.00  -0.000435104   0.000175922   0.000762049
 C     -2.133963      1.193860     -0.103785    0.00  -0.000162326   0.000001474   0.000201690
 C     -0.874030      0.741578      0.298893    0.00  -0.000045428  -0.000119189  -0.000408932
 C     -0.626138     -0.643153      0.412001    0.00  -0.000087635  -0.000155934  -0.000666369
 C     -1.647620     -1.560538      0.131749    0.00  -0.000355890   0.000012530  -0.000209811
 C     -2.901167     -1.099460     -0.278185    0.00  -0.000507081   0.000124351   0.000601760
 H      0.624403      1.659797      1.590026    0.00   0.000001368  -0.000014654  -0.000037127
 H     -4.120883      0.625524     -0.725247    0.00  -0.000030391   0.000020968   0.000119661
 H     -2.326811      2.261641     -0.200991    0.00  -0.000005747   0.000001466   0.000027489
 C      0.274736      1.681382      0.540037    0.00   0.000013860  -0.000158145  -0.000448083
 C      0.747475     -1.078050      0.754266    0.00  -0.000060346  -0.000404952  -0.000917497
 H     -1.464435     -2.629005      0.226202    0.00  -0.000035900   0.000000757  -0.000033421
 H     -3.691603     -1.813026     -0.508503    0.00  -0.000047260   0.000027590   0.000096204
 H      0.894028     -2.171069      0.713602    0.00  -0.000018728  -0.000006891  -0.000135364
 S      1.863501     -0.275481     -0.476138    0.00   0.001681757   0.000199952   0.000122095
 O      1.361324      1.341658     -0.327483    0.00   0.000011882  -0.000189590  -0.000619219
 O      3.211617     -0.414007      0.063764    0.00   0.000109042   0.000596787   0.001665994
 H      1.033509     -0.795376      1.786184    0.00  -0.000027881  -0.000100041  -0.000084570
 H      0.056066      2.730279      0.254285    0.00   0.000001807  -0.000012402  -0.000036549
19
 Energy =     -0.0765105275861
 C     -3.150388      0.275328     -0.387221    0.00  -0.000390596   0.000167816   0.000722632
 C     -2.136314      1.194287     -0.100525    0.00  -0.000149087   0.000008828   0.000237210
 C     -0.874260      0.739871      0.293395    0.00  -0.000044419  -0.000104674  -0.000349088
 C     -0.627106     -0.645185      0.402541    0.00  -0.000076350  -0.000137198  -0.000611317
 C     -1.652225     -1.560671      0.128683    0.00  -0.000315615   0.000015718  -0.000220061
 C     -2.908618     -1.097501     -0.269913    0.00  -0.000443268   0.000120551   0.000529692
 H      0.625125      1.657281      1.583399    0.00   0.000006656  -0.000013674  -0.000036943
 H     -4.129303      0.629734     -0.705804    0.00  -0.000025898   0.000019255   0.000112906
 H     -2.328091      2.262444     -0.195749    0.00  -0.000005638   0.000001736   0.000032490
 C      0.275067      1.679148      0.533523    0.00   0.000025411  -0.000147272  -0.000427861
 C      0.746329     -1.083777      0.740958    0.00  -0.000050771  -0.000377278  -0.000857191
 H     -1.469866     -2.629534      0.220303    0.00  -0.000031906   0.000001468  -0.000035447
 H     -3.702205     -1.809696     -0.493476    0.00  -0.000041406   0.000024848   0.000083354
 H      0.891067     -2.176778      0.690599    0.00  -0.000017655  -0.000003784  -0.000127003
 S      1.872158     -0.274397     -0.475767    0.00   0.001576899   0.000165880   0.000132172
 O      1.361047      1.339538     -0.334654    0.00  -0.000039177  -0.000209363  -0.000671425
 O      3.213599     -0.407615      0.082426    0.00   0.000045721   0.000572839   0.001601568
 H      1.029890     -0.811383      1.776564    0.00  -0.000025421  -0.000094247  -0.000081466
 H      0.056365      2.728137      0.248055    0.00   0.000002518  -0.000011448  -0.000034222
19
 Energy =     -0.0767137036989
 C     -3.156359      0.277806     -0.376177    0.00  -0.000350605   0.000160169   0.000685950
 C     -2.138634      1.194808     -0.096590    0.00  -0.000135043   0.000014732   0.000264964
 C     -0.874480      0.738272      0.288440    0.00  -0.000041848  -0.000092623  -0.000298087
 C     -0.627999     -0.647107      0.393334    0.00  -0.000066204  -0.000121391  -0.000561962
 C     -1.656511     -1.560739      0.125284    0.00  -0.000280927   0.000018122  -0.000228426
 C     -2.915565     -1.095504     -0.262216    0.00  -0.000388232   0.000117418   0.000465868
 H      0.626789      1.654808      1.576433    0.00   0.000010844  -0.000012654  -0.000036920
 H     -4.137316      0.633978     -0.686357    0.00  -0.000021838   0.000017683   0.000106767
 H     -2.329475      2.263351     -0.189388    0.00  -0.000005186   0.000001779   0.000036437
 C      0.275596      1.676946      0.526933    0.00   0.000035975  -0.000137855  -0.000409658
 C      0.745247     -1.089432      0.727802    0.00  -0.000042715  -0.000353066  -0.000799570
 H     -1.474882     -2.630000      0.213724    0.00  -0.000028567   0.000002184  -0.000037099
 H     -3.712030     -1.806355     -0.479679    0.00  -0.000036468   0.000022507   0.000072103
 H      0.888133     -2.182325      0.667733    0.00  -0.000016687  -0.000001293  -0.000118948
 S      1.880693     -0.273461     -0.475330    0.00   0.001475412   0.000131659   0.000143183
 O      1.360217      1.337094     -0.342766    0.00  -0.000077897  -0.000226882  -0.000706777
 O      3.215060     -0.401067      0.101439    0.00  -0.000009867   0.000559017   0.001532733
 H      1.026464     -0.827343      1.766945    0.00  -0.000023374  -0.000088790  -0.000078203
 H      0.056825      2.726033      0.241832    0.00   0.000003226  -0.000010717  -0.000032354
19
 Energy =     -0.0769059653625
 C     -3.162018      0.280337     -0.365090    0.00  -0.000314636   0.000152633   0.000651370
 C     -2.140892      1.195414     -0.092043    0.00  -0.000120798   0.000019167   0.000285536
 C     -0.874669      0.736763      0.283978    0.00  -0.000038283  -0.000082579  -0.000254948
 C     -0.628817     -0.648939      0.384375    0.00  -0.000057187  -0.000108018  -0.000517664
 C     -1.660505     -1.560746      0.121567    0.00  -0.000251128   0.000019926  -0.000234251
 C     -2.922046     -1.093469     -0.255068    0.00  -0.000340846   0.000114579   0.000409994
 H      0.629301      1.652409      1.569157    0.00   0.000014040  -0.000011616  -0.000036955
 H     -4.144930      0.638256     -0.666916    0.00  -0.000018172   0.000016209   0.000101087
 H     -2.330904      2.264349     -0.182007    0.00  -0.000004502   0.000001622   0.000039393
 C      0.276320      1.674775      0.520266    0.00   0.000045150  -0.000129520  -0.000392946
 C      0.744222     -1.095031      0.714832    0.00  -0.000035830  -0.000331627  -0.000745504
 H     -1.479531     -2.630410      0.206501    0.00  -0.000025776   0.000002898  -0.000038279
 H     -3.721147     -1.802999     -0.467047    0.00  -0.000032270   0.000020523   0.000062359
 H      0.885219     -2.187726      0.645068    0.00  -0.000015792   0.000000764  -0.000111348
 S      1.889076     -0.272686     -0.474819    0.00   0.001378827   0.000100116   0.000154080
 O      1.358920      1.334332     -0.351693    0.00  -0.000106249  -0.000241411  -0.000727253
 O      3.216008     -0.394286      0.120698    0.00  -0.000058772   0.000550179   0.001461130
 H      1.023199     -0.843238      1.757362    0.00  -0.000021652  -0.000083700  -0.000074960
 H      0.057450      2.723955      0.235571    0.00   0.000003876  -0.000010147  -0.000030844
19
 Energy =     -0.0770881307611
 C     -3.167375      0.282912     -0.353975    0.00  -0.000282216   0.000145059   0.000618476
 C     -2.143063      1.196090     -0.086952    0.00  -0.000106772   0.000022177   0.000299479
 C     -0.874813      0.735328      0.279958    0.00  -0.000034131  -0.000074226  -0.000218785
 C     -0.629561     -0.650693      0.375648    0.00  -0.000049242  -0.000096630  -0.000477851
 C     -1.664235     -1.560699      0.117560    0.00  -0.000225590   0.000021269  -0.000237268
 C     -2.928101     -1.091399     -0.248431    0.00  -0.000300018   0.000111709   0.000361583
 H      0.632556      1.650110      1.561603    0.00   0.000016349  -0.000010565  -0.000036944
 H     -4.152156      0.642563     -0.647488    0.00  -0.000014866   0.000014806   0.000095766
 H     -2.332329      2.265423     -0.173717    0.00  -0.000003673   0.000001299   0.000041440
 C      0.277228      1.672631      0.513521    0.00   0.000052727  -0.000121945  -0.000377345
 C      0.743248     -1.100584      0.702063    0.00  -0.000029861  -0.000312418  -0.000695331
 H     -1.483862     -2.630767      0.198693    0.00  -0.000023440   0.000003591  -0.000038957
 H     -3.729627     -1.799628     -0.455490    0.00  -0.000028665   0.000018846   0.000054019
 H      0.882323     -2.192992      0.622630    0.00  -0.000014951   0.000002533  -0.000104268
 S      1.897289     -0.272072     -0.474229    0.00   0.001287405   0.000072675   0.000164104
 O      1.357238      1.331267     -0.361309    0.00  -0.000125755  -0.000252450  -0.000734645
 O      3.216455     -0.387233      0.140111    0.00  -0.000101550   0.000542932   0.001388001
 H      1.020067     -0.859067      1.747834    0.00  -0.000020185  -0.000078978  -0.000071860
 H      0.058235      2.721892      0.229233    0.00   0.000004432  -0.000009680  -0.000029614
19
 Energy =      -0.077260811493
 C     -3.172441      0.285522     -0.342842    0.00  -0.000252967   0.000137297   0.000586913
 C     -2.145130      1.196821     -0.081387    0.00  -0.000093170   0.000023872   0.000307450
 C     -0.874899      0.733954      0.276321    0.00  -0.000029740  -0.000067197  -0.000188806
 C     -0.630234     -0.652384      0.367136    0.00  -0.000042289  -0.000086947  -0.000441997
 C     -1.667732     -1.560604      0.113297    0.00  -0.000203647   0.000022247  -0.000237452
 C     -2.933773     -1.089298     -0.242252    0.00  -0.000264811   0.000108666   0.000320029
 H      0.636444      1.647936      1.553799    0.00   0.000017873  -0.000009506  -0.000036810
 H     -4.159012      0.646892     -0.628078    0.00  -0.000011866   0.000013450   0.000090728
 H     -2.333712      2.266557     -0.164633    0.00  -0.000002762   0.000000849   0.000042653
 C      0.278305      1.670515      0.506697    0.00   0.000058598  -0.000114878  -0.000362523
 C      0.742321     -1.106105      0.689489    0.00  -0.000024637  -0.000295001  -0.000649028
 H     -1.487925     -2.631074      0.190368    0.00  -0.000021482   0.000004250  -0.000039134
 H     -3.737543     -1.796242     -0.444899    0.00  -0.000025539   0.000017420   0.000046955
 H      0.879444     -2.198136      0.600410    0.00  -0.000014152   0.000004137  -0.000097713
 S      1.905325     -0.271609     -0.473558    0.00   0.001201220   0.000049872   0.000172985
 O      1.355250      1.327921     -0.371490    0.00  -0.000137659  -0.000259793  -0.000730666
 O      3.216410     -0.379893      0.159611    0.00  -0.000138911   0.000535153   0.001314009
 H      1.017048     -0.874844      1.738362    0.00  -0.000018929  -0.000074612  -0.000068991
 H      0.059168      2.719838      0.222782    0.00   0.000004868  -0.000009280  -0.000028603
19
 Energy =     -0.0774244418782
 C     -3.177234      0.288158     -0.331696    0.00  -0.000226516   0.000129357   0.000556408
 C     -2.147078      1.197594     -0.075418    0.00  -0.000080178   0.000024390   0.000310074
 C     -0.874917      0.732627      0.273007    0.00  -0.000025358  -0.000061251  -0.000164229
 C     -0.630841     -0.654024      0.358813    0.00  -0.000036222  -0.000078642  -0.000409579
 C     -1.671028     -1.560467      0.108815    0.00  -0.000184788   0.000022924  -0.000234946
 C     -2.939105     -1.087171     -0.236473    0.00  -0.000234327   0.000105293   0.000284643
 H      0.640855      1.645909      1.545772    0.00   0.000018717  -0.000008443  -0.000036487
 H     -4.165515      0.651231     -0.608687    0.00  -0.000009131   0.000012130   0.000085918
 H     -2.335020      2.267732     -0.154869    0.00  -0.000001815   0.000000312   0.000043114
 C      0.279533      1.668429      0.499789    0.00   0.000062759  -0.000108137  -0.000348191
 C      0.741437     -1.111606      0.677090    0.00  -0.000020020  -0.000278991  -0.000606342
 H     -1.491765     -2.631334      0.181600    0.00  -0.000019830   0.000004858  -0.000038837
 H     -3.744968     -1.792843     -0.435149    0.00  -0.000022798   0.000016192   0.000041025
 H      0.876581     -2.203169      0.578373    0.00  -0.000013387   0.000005673  -0.000091648
 S      1.913182     -0.271280     -0.472806    0.00   0.001120023   0.000031699   0.000180634
 O      1.353031      1.324324     -0.382120    0.00  -0.000143088  -0.000263421  -0.000716964
 O      3.215887     -0.372270      0.179144    0.00  -0.000171366   0.000525543   0.001239564
 H      1.014119     -0.890592      1.728935    0.00  -0.000017852  -0.000070568  -0.000066404
 H      0.060235      2.717787      0.216181    0.00   0.000005176  -0.000008917  -0.000027750
19
 Energy =     -0.0775793126386
 C     -3.181772      0.290808     -0.320538    0.00  -0.000202536   0.000121239   0.000526705
 C     -2.148899      1.198394     -0.069111    0.00  -0.000067888   0.000023898   0.000307991
 C     -0.874861      0.731334      0.269958    0.00  -0.000021185  -0.000056151  -0.000144300
 C     -0.631385     -0.655622      0.350653    0.00  -0.000030949  -0.000071466  -0.000380092
 C     -1.674151     -1.560294      0.104151    0.00  -0.000168513   0.000023350  -0.000229977
 C     -2.944140     -1.085023     -0.231033    0.00  -0.000207797   0.000101529   0.000254687
 H      0.645683      1.644048      1.537546    0.00   0.000018981  -0.000007385  -0.000035935
 H     -4.171687      0.655570     -0.589307    0.00  -0.000006617   0.000010835   0.000081285
 H     -2.336228      2.268932     -0.144536    0.00  -0.000000865  -0.000000279   0.000042909
 C      0.280894      1.666372      0.492793    0.00   0.000065270  -0.000101591  -0.000334077
 C      0.740592     -1.117101      0.664838    0.00  -0.000015895  -0.000264065  -0.000566894
 H     -1.495426     -2.631551      0.172462    0.00  -0.000018430   0.000005405  -0.000038109
 H     -3.751970     -1.789433     -0.426112    0.00  -0.000020368   0.000015112   0.000036090
 H      0.873732     -2.208102      0.556470    0.00  -0.000012652   0.000007213  -0.000086016
 S      1.920866     -0.271064     -0.471974    0.00   0.001043423   0.000017842   0.000187067
 O      1.350649      1.320505     -0.393091    0.00  -0.000143093  -0.000263471  -0.000695123
 O      3.214896     -0.364378      0.198670    0.00  -0.000199313   0.000513357   0.001164916
 H      1.011263     -0.906345      1.719535    0.00  -0.000016927  -0.000066802  -0.000064125
 H      0.061418      2.715733      0.209398    0.00   0.000005352  -0.000008569  -0.000027002
19
 Energy =     -0.0777256052122
 C     -3.186071      0.293462     -0.309366    0.00  -0.000180735   0.000112977   0.000497582
 C     -2.150586      1.199207     -0.062529    0.00  -0.000056363   0.000022569   0.000301833
 C     -0.874727      0.730065      0.267114    0.00  -0.000017378  -0.000051698  -0.000128284
 C     -0.631871     -0.657189      0.342625    0.00  -0.000026371  -0.000065199  -0.000353055
 C     -1.677129     -1.560088      0.099340    0.00  -0.000154393   0.000023564  -0.000222811
 C     -2.948915     -1.082860     -0.225870    0.00  -0.000184539   0.000097338   0.000229413
 H      0.650829      1.642369      1.529142    0.00   0.000018765  -0.000006344  -0.000035134
 H     -4.177549      0.659898     -0.569928    0.00  -0.000004289   0.000009560   0.000076788
 H     -2.337317      2.270139     -0.133736    0.00   0.000000061  -0.000000894   0.000042120
 C      0.282369      1.664349      0.485703    0.00   0.000066248  -0.000095153  -0.000319949
 C      0.739780     -1.122600      0.652697    0.00  -0.000012166  -0.000249933  -0.000530237
 H     -1.498946     -2.631727      0.163026    0.00  -0.000017232   0.000005884  -0.000036998
 H     -3.758612     -1.786015     -0.417660    0.00  -0.000018188   0.000014135   0.000032006
 H      0.870896     -2.212942      0.534638    0.00  -0.000011940   0.000008814  -0.000080749
 S      1.928385     -0.270942     -0.471063    0.00   0.000970978   0.000007826   0.000192334
 O      1.348170      1.316497     -0.404306    0.00  -0.000138672  -0.000260178  -0.000666633
 O      3.213449     -0.356239      0.218161    0.00  -0.000223062   0.000498221   0.001090235
 H      1.008462     -0.922140      1.710135    0.00  -0.000016129  -0.000063265  -0.000062157
 H      0.062697      2.713674      0.202404    0.00   0.000005405  -0.000008223  -0.000026303
19
 Energy =     -0.0778634235249
 C     -3.190150      0.296111     -0.298177    0.00  -0.000160843   0.000104616   0.000468850
 C     -2.152136      1.200022     -0.055728    0.00  -0.000045634   0.000020578   0.000292203
 C     -0.874510      0.728811      0.264424    0.00  -0.000014050  -0.000047724  -0.000115484
 C     -0.632304     -0.658732      0.334703    0.00  -0.000022405  -0.000059656  -0.000328023
 C     -1.679986     -1.559856      0.094417    0.00  -0.000142036   0.000023601  -0.000213731
 C     -2.953468     -1.080688     -0.220921    0.00  -0.000163972   0.000092717   0.000208078
 H      0.656201      1.640887      1.520581    0.00   0.000018158  -0.000005332  -0.000034084
 H     -4.183122      0.664205     -0.550537    0.00  -0.000002121   0.000008303   0.000072388
 H     -2.338270      2.271340     -0.122566    0.00   0.000000945  -0.000001510   0.000040831
 C      0.283938      1.662360      0.478515    0.00   0.000065861  -0.000088771  -0.000305604
 C      0.739000     -1.128114      0.640631    0.00  -0.000008747  -0.000236356  -0.000495917
 H     -1.502359     -2.631864      0.153357    0.00  -0.000016192   0.000006291  -0.000035555
 H     -3.764951     -1.782592     -0.409669    0.00  -0.000016209   0.000013228   0.000028639
 H      0.868071     -2.217697      0.512810    0.00  -0.000011249   0.000010515  -0.000075772
 S      1.935750     -0.270891     -0.470075    0.00   0.000902252   0.000001104   0.000196503
 O      1.345648      1.312333     -0.415682    0.00  -0.000130776  -0.000253847  -0.000632876
 O      3.211556     -0.347881      0.237598    0.00  -0.000242885   0.000480022   0.001015654
 H      1.005702     -0.938018      1.700707    0.00  -0.000015440  -0.000059905  -0.000060493
 H      0.064053      2.711607      0.195175    0.00   0.000005343  -0.000007872  -0.000025607
19
 Energy =      -0.077992821443
 C     -3.194024      0.298745     -0.286966    0.00  -0.000142626   0.000096225   0.000440344
 C     -2.153548      1.200827     -0.048761    0.00  -0.000035750   0.000018086   0.000279669
 C     -0.874211      0.727565      0.261836    0.00  -0.000011241  -0.000044104  -0.000105247
 C     -0.632689     -0.660259      0.326859    0.00  -0.000018962  -0.000054659  -0.000304584
 C     -1.682746     -1.559602      0.089411    0.00  -0.000131138   0.000023479  -0.000203028
 C     -2.957829     -1.078511     -0.216130    0.00  -0.000145572   0.000087674   0.000190006
 H      0.661720      1.639611      1.511881    0.00   0.000017248  -0.000004363  -0.000032797
 H     -4.188425      0.668481     -0.531121    0.00  -0.000000090   0.000007064   0.000068050
 H     -2.339077      2.272522     -0.111112    0.00   0.000001771  -0.000002106   0.000039133
 C      0.285584      1.660409      0.471223    0.00   0.000064271  -0.000082422  -0.000290888
 C      0.738247     -1.133654      0.628600    0.00  -0.000005587  -0.000223139  -0.000463477
 H     -1.505696     -2.631966      0.143518    0.00  -0.000015273   0.000006626  -0.000033834
 H     -3.771037     -1.779168     -0.402021    0.00  -0.000014389   0.000012365   0.000025854
 H      0.865257     -2.222369      0.490915    0.00  -0.000010574   0.000012343  -0.000071014
 S      1.942972     -0.270892     -0.469010    0.00   0.000836806  -0.000002881   0.000199606
 O      1.343135      1.308043     -0.427145    0.00  -0.000120270  -0.000244836  -0.000595118
 O      3.209226     -0.339334      0.256968    0.00  -0.000258965   0.000458836   0.000941318
 H      1.002970     -0.954020      1.691217    0.00  -0.000014840  -0.000056674  -0.000059118
 H      0.065466      2.709532      0.187690    0.00   0.000005182  -0.000007514  -0.000024875
19
 Energy =     -0.0781138249639
 C     -3.197707      0.301357     -0.275728    0.00  -0.000125887   0.000087849   0.000411935
 C     -2.154820      1.201614     -0.041673    0.00  -0.000026685   0.000015247   0.000264795
 C     -0.873828      0.726319      0.259307    0.00  -0.000009019  -0.000040712  -0.000096992
 C     -0.633028     -0.661773      0.319067    0.00  -0.000015975  -0.000050098  -0.000282390
 C     -1.685426     -1.559329      0.084353    0.00  -0.000121376   0.000023232  -0.000190995
 C     -2.962026     -1.076337     -0.211443    0.00  -0.000128945   0.000082258   0.000174527
 H      0.667313      1.638552      1.503058    0.00   0.000016111  -0.000003448  -0.000031298
 H     -4.193474      0.672717     -0.511668    0.00   0.000001815   0.000005849   0.000063755
 H     -2.339728      2.273673     -0.099453    0.00   0.000002526  -0.000002669   0.000037090
 C      0.287290      1.658499      0.463824    0.00   0.000061678  -0.000076102  -0.000275685
 C      0.737519     -1.139225      0.616565    0.00  -0.000002642  -0.000210133  -0.000432478
 H     -1.508982     -2.632036      0.133564    0.00  -0.000014447   0.000006888  -0.000031875
 H     -3.776912     -1.775748     -0.394609    0.00  -0.000012694   0.000011525   0.000023547
 H      0.862452     -2.226959      0.468884    0.00  -0.000009916   0.000014317  -0.000066406
 S      1.950062     -0.270926     -0.467868    0.00   0.000774242  -0.000004664   0.000201639
 O      1.340674      1.303660     -0.438633    0.00  -0.000107960  -0.000233534  -0.000554473
 O      3.206466     -0.330628      0.276263    0.00  -0.000271456   0.000434869   0.000867386
 H      1.000254     -0.970184      1.681634    0.00  -0.000014311  -0.000053529  -0.000058010
 H      0.066917      2.707450      0.179936    0.00   0.000004939  -0.000007147  -0.000024073
19
 Energy =     -0.0782264493993
 C     -3.201213      0.303939     -0.264459    0.00  -0.000110454   0.000079568   0.000383552
 C     -2.155954      1.202374     -0.034506    0.00  -0.000018466   0.000012193   0.000248075
 C     -0.873362      0.725069      0.256799    0.00  -0.000007374  -0.000037470  -0.000090188
 C     -0.633327     -0.663280      0.311306    0.00  -0.000013369  -0.000045859  -0.000261131
 C     -1.688043     -1.559043      0.079270    0.00  -0.000112525   0.000022877  -0.000177904
 C     -2.966083     -1.074169     -0.206812    0.00  -0.000113734   0.000076510   0.000161064
 H      0.672919      1.637715      1.494128    0.00   0.000014814  -0.000002596  -0.000029617
 H     -4.198283      0.676903     -0.492170    0.00   0.000003605   0.000004661   0.000059476
 H     -2.340218      2.274785     -0.087659    0.00   0.000003203  -0.000003187   0.000034779
 C      0.289043      1.656633      0.456317    0.00   0.000058266  -0.000069826  -0.000259929
 C      0.736813     -1.144836      0.604492    0.00   0.000000137  -0.000197220  -0.000402557
 H     -1.512237     -2.632076      0.123549    0.00  -0.000013685   0.000007082  -0.000029739
 H     -3.782613     -1.772336     -0.387336    0.00  -0.000011093   0.000010701   0.000021608
 H      0.859655     -2.231466      0.446650    0.00  -0.000009272   0.000016448  -0.000061885
 S      1.957031     -0.270976     -0.466651    0.00   0.000714244  -0.000004765   0.000202676
 O      1.338301      1.299210     -0.450096    0.00  -0.000094546  -0.000220349  -0.000511935
 O      3.203285     -0.321796      0.295478    0.00  -0.000280545   0.000408435   0.000793981
 H      0.997544     -0.986551      1.671924    0.00  -0.000013839  -0.000050427  -0.000057147
 H      0.068389      2.705360      0.171901    0.00   0.000004633  -0.000006773  -0.000023179
19
 Energy =     -0.0783307121375
 C     -3.204550      0.306483     -0.253157    0.00  -0.000096198   0.000071416   0.000355134
 C     -2.156950      1.203102     -0.027297    0.00  -0.000011072   0.000009045   0.000230005
 C     -0.872814      0.723813      0.254279    0.00  -0.000006313  -0.000034293  -0.000084397
 C     -0.633588     -0.664781      0.303557    0.00  -0.000011092  -0.000041905  -0.000240550
 C     -1.690610     -1.558746      0.074188    0.00  -0.000104333   0.000022447  -0.000164027
 C     -2.970017     -1.072015     -0.202194    0.00  -0.000099695   0.000070518   0.000149099
 H      0.678487      1.637105      1.485105    0.00   0.000013413  -0.000001818  -0.000027789
 H     -4.202864      0.681033     -0.472621    0.00   0.000005291   0.000003507   0.000055196
 H     -2.340544      2.275850     -0.075794    0.00   0.000003796  -0.000003652   0.000032262
 C      0.290827      1.654814      0.448699    0.00   0.000054227  -0.000063622  -0.000243605
 C      0.736126     -1.150490      0.592344    0.00   0.000002772  -0.000184300  -0.000373385
 H     -1.515480     -2.632088      0.113521    0.00  -0.000012965   0.000007210  -0.000027467
 H     -3.788169     -1.768940     -0.380117    0.00  -0.000009564   0.000009884   0.000019945
 H      0.856864     -2.235884      0.424150    0.00  -0.000008638   0.000018739  -0.000057392
 S      1.963889     -0.271027     -0.465357    0.00   0.000656495  -0.000003682   0.000202711
 O      1.336047      1.294722     -0.461489    0.00  -0.000080649  -0.000205676  -0.000468343
 O      3.199688     -0.312872      0.314610    0.00  -0.000286340   0.000379918   0.000721285
 H      0.994834     -1.003153      1.662054    0.00  -0.000013414  -0.000047340  -0.000056505
 H      0.069866      2.703265      0.163581    0.00   0.000004279  -0.000006396  -0.000022176
19
 Energy =     -0.0784266415565
 C     -3.207728      0.308985     -0.241821    0.00  -0.000082989   0.000063509   0.000326678
 C     -2.157810      1.203791     -0.020078    0.00  -0.000004527   0.000005887   0.000210997
 C     -0.872188      0.722546      0.251718    0.00  -0.000005784  -0.000031162  -0.000079230
 C     -0.633815     -0.666278      0.295805    0.00  -0.000009099  -0.000038129  -0.000220470
 C     -1.693138     -1.558441      0.069128    0.00  -0.000096690   0.000021946  -0.000149632
 C     -2.973845     -1.069880     -0.197551    0.00  -0.000086573   0.000064319   0.000138169
 H      0.683970      1.636727      1.476004    0.00   0.000011966  -0.000001119  -0.000025844
 H     -4.207225      0.685097     -0.453017    0.00   0.000006865   0.000002393   0.000050922
 H     -2.340702      2.276862     -0.063912    0.00   0.000004298  -0.000004058   0.000029593
 C      0.292631      1.653046      0.440972    0.00   0.000049699  -0.000057509  -0.000226692
 C      0.735457     -1.156190      0.580092    0.00   0.000005325  -0.000171369  -0.000344670
 H     -1.518722     -2.632076      0.103524    0.00  -0.000012271   0.000007276  -0.000025097
 H     -3.793601     -1.765564     -0.372875    0.00  -0.000008092   0.000009072   0.000018481
 H      0.854080     -2.240207      0.401325    0.00  -0.000008023   0.000021189  -0.000052882
 S      1.970644     -0.271064     -0.463987    0.00   0.000600811  -0.000001789   0.000201837
 O      1.333937      1.290221     -0.472779    0.00  -0.000066768  -0.000189953  -0.000424454
 O      3.195679     -0.303886      0.333658    0.00  -0.000289020   0.000349740   0.000649412
 H      0.992120     -1.020025      1.651991    0.00  -0.000013025  -0.000044224  -0.000056058
 H      0.071331      2.701167      0.154972    0.00   0.000003897  -0.000006019  -0.000021059
19
 Energy =     -0.0785142830998
 C     -3.210752      0.311437     -0.230452    0.00  -0.000070758   0.000055867   0.000298220
 C     -2.158536      1.204438     -0.012879    0.00   0.000001193   0.000002810   0.000191412
 C     -0.871484      0.721269      0.249094    0.00  -0.000005751  -0.000028027  -0.000074358
 C     -0.634010     -0.667773      0.288037    0.00  -0.000007349  -0.000034532  -0.000200723
 C     -1.695635     -1.558132      0.064115    0.00  -0.000089430   0.000021397  -0.000134940
 C     -2.977577     -1.067769     -0.192851    0.00  -0.000074224   0.000058007   0.000127887
 H      0.689334      1.636584      1.466836    0.00   0.000010504  -0.000000510  -0.000023822
 H     -4.211372      0.689089     -0.433361    0.00   0.000008334   0.000001328   0.000046649
 H     -2.340693      2.277817     -0.052065    0.00   0.000004708  -0.000004403   0.000026847
 C      0.294445      1.651333      0.433138    0.00   0.000044855  -0.000051536  -0.000209271
 C      0.734806     -1.161936      0.567708    0.00   0.000007768  -0.000158384  -0.000316188
 H     -1.521975     -2.632042      0.093600    0.00  -0.000011588   0.000007291  -0.000022676
 H     -3.798927     -1.762217     -0.365546    0.00  -0.000006657   0.000008270   0.000017136
 H      0.851301     -2.244424      0.378122    0.00  -0.000007419   0.000023802  -0.000048304
 S      1.977304     -0.271076     -0.462541    0.00   0.000547034   0.000000464   0.000200014
 O      1.331994      1.285729     -0.483937    0.00  -0.000053342  -0.000173494  -0.000380835
 O      3.191263     -0.294871      0.352621    0.00  -0.000288710   0.000318359   0.000578566
 H      0.989397     -1.037194      1.641706    0.00  -0.000012668  -0.000041060  -0.000055794
 H      0.072773      2.699069      0.146075    0.00   0.000003500  -0.000005649  -0.000019821
19
 Energy =     -0.0785937030872
 C     -3.213627      0.313835     -0.219050    0.00  -0.000059432   0.000048549   0.000269797
 C     -2.159131      1.205039     -0.005723    0.00   0.000006100  -0.000000114   0.000171609
 C     -0.870705      0.719981      0.246389    0.00  -0.000006175  -0.000024888  -0.000069558
 C     -0.634174     -0.669265      0.280245    0.00  -0.000005787  -0.000031082  -0.000181218
 C     -1.698107     -1.557820      0.059167    0.00  -0.000082455   0.000020824  -0.000120202
 C     -2.981221     -1.065687     -0.188065    0.00  -0.000062536   0.000051652   0.000117960
 H      0.694548      1.636679      1.457613    0.00   0.000009063   0.000000012  -0.000021750
 H     -4.215311      0.693002     -0.413657    0.00   0.000009694   0.000000317   0.000042377
 H     -2.340517      2.278710     -0.040295    0.00   0.000005027  -0.000004690   0.000024071
 C      0.296260      1.649679      0.425197    0.00   0.000039832  -0.000045742  -0.000191393
 C      0.734171     -1.167730      0.555168    0.00   0.000010109  -0.000145361  -0.000287730
 H     -1.525243     -2.631990      0.083787    0.00  -0.000010905   0.000007252  -0.000020244
 H     -3.804159     -1.758906     -0.358074    0.00  -0.000005255   0.000007484   0.000015861
 H      0.848528     -2.248524      0.354494    0.00  -0.000006832   0.000026561  -0.000043625
 S      1.983873     -0.271052     -0.461019    0.00   0.000495005   0.000002772   0.000197249
 O      1.330231      1.281266     -0.494939    0.00  -0.000040717  -0.000156657  -0.000337994
 O      3.186444     -0.285857      0.371496    0.00  -0.000285502   0.000286227   0.000508942
 H      0.986665     -1.054686      1.631170    0.00  -0.000012335  -0.000037827  -0.000055685
 H      0.074179      2.696974      0.136892    0.00   0.000003102  -0.000005289  -0.000018467
19
 Energy =     -0.0786649908527
 C     -3.216356      0.316175     -0.207621    0.00  -0.000048971   0.000041600   0.000241494
 C     -2.159596      1.205593      0.001369    0.00   0.000010226  -0.000002842   0.000151891
 C     -0.869855      0.718683      0.243589    0.00  -0.000007007  -0.000021726  -0.000064643
 C     -0.634311     -0.670752      0.272424    0.00  -0.000004392  -0.000027787  -0.000161900
 C     -1.700556     -1.557510      0.054303    0.00  -0.000075683   0.000020241  -0.000105623
 C     -2.984782     -1.063640     -0.183171    0.00  -0.000051437   0.000045334   0.000108115
 H      0.699589      1.637014      1.448346    0.00   0.000007669   0.000000441  -0.000019660
 H     -4.219044      0.696831     -0.393913    0.00   0.000010940  -0.000000632   0.000038120
 H     -2.340175      2.279541     -0.028639    0.00   0.000005255  -0.000004917   0.000021304
 C      0.298066      1.648088      0.417155    0.00   0.000034742  -0.000040169  -0.000173143
 C      0.733551     -1.173569      0.542450    0.00   0.000012362  -0.000132326  -0.000259176
 H     -1.528531     -2.631921      0.074117    0.00  -0.000010215   0.000007171  -0.000017830
 H     -3.809304     -1.755637     -0.350416    0.00  -0.000003881   0.000006717   0.000014613
 H      0.845759     -2.252492      0.330401    0.00  -0.000006261   0.000029455  -0.000038817
 S      1.990355     -0.270984     -0.459419    0.00   0.000444675   0.000004858   0.000193595
 O      1.328663      1.276851     -0.505770    0.00  -0.000029151  -0.000139755  -0.000296332
 O      3.181224     -0.276872      0.390284    0.00  -0.000279558   0.000253786   0.000440708
 H      0.983923     -1.072521      1.620354    0.00  -0.000012023  -0.000034507  -0.000055712
 H      0.075538      2.694885      0.127429    0.00   0.000002713  -0.000004943  -0.000017004
19
 Energy =     -0.0787282595214
 C     -3.218940      0.318453     -0.196168    0.00  -0.000039334   0.000035072   0.000213414
 C     -2.159933      1.206097      0.008378    0.00   0.000013581  -0.000005336   0.000132498
 C     -0.868936      0.717375      0.240685    0.00  -0.000008185  -0.000018566  -0.000059471
 C     -0.634420     -0.672234      0.264570    0.00  -0.000003128  -0.000024624  -0.000142745
 C     -1.702986     -1.557201      0.049540    0.00  -0.000069090   0.000019658  -0.000091394
 C     -2.988264     -1.061633     -0.178152    0.00  -0.000040870   0.000039110   0.000098170
 H      0.704438      1.637590      1.439043    0.00   0.000006344   0.000000778  -0.000017578
 H     -4.222573      0.700570     -0.374139    0.00   0.000012068  -0.000001516   0.000033891
 H     -2.339671      2.280307     -0.017129    0.00   0.000005395  -0.000005088   0.000018581
 C      0.299859      1.646564      0.409014    0.00   0.000029678  -0.000034863  -0.000154612
 C      0.732947     -1.179450      0.529537    0.00   0.000014520  -0.000119319  -0.000230437
 H     -1.531840     -2.631838      0.064623    0.00  -0.000009517   0.000007049  -0.000015473
 H     -3.814366     -1.752418     -0.342536    0.00  -0.000002536   0.000005976   0.000013353
 H      0.842995     -2.256312      0.305808    0.00  -0.000005708   0.000032468  -0.000033857
 S      1.996752     -0.270866     -0.457742    0.00   0.000396019   0.000006508   0.000189080
 O      1.327297      1.272499     -0.516415    0.00  -0.000018829  -0.000123056  -0.000256173
 O      3.175608     -0.267942      0.408980    0.00  -0.000271022   0.000221455   0.000374053
 H      0.981172     -1.090716      1.609232    0.00  -0.000011731  -0.000031089  -0.000055859
 H      0.076842      2.692806      0.117690    0.00   0.000002345  -0.000004617  -0.000015442
19
 Energy =     -0.0787836465312
 C     -3.221382      0.320665     -0.184697    0.00  -0.000030511   0.000028981   0.000185669
 C     -2.160147      1.206551      0.015291    0.00   0.000016212  -0.000007573   0.000113649
 C     -0.867951      0.716060      0.237669    0.00  -0.000009661  -0.000015408  -0.000053971
 C     -0.634504     -0.673708      0.256682    0.00  -0.000001980  -0.000021614  -0.000123765
 C     -1.705396     -1.556896      0.044892    0.00  -0.000062635   0.000019088  -0.000077677
 C     -2.991665     -1.059669     -0.172992    0.00  -0.000030827   0.000033052   0.000087981
 H      0.709081      1.638410      1.429714    0.00   0.000005100   0.000001021  -0.000015528
 H     -4.225897      0.704214     -0.354347    0.00   0.000013076  -0.000002330   0.000029710
 H     -2.339009      2.281008     -0.005791    0.00   0.000005452  -0.000005206   0.000015936
 C      0.301631      1.645111      0.400779    0.00   0.000024724  -0.000029860  -0.000135911
 C      0.732359     -1.185369      0.516416    0.00   0.000016580  -0.000106398  -0.000201473
 H     -1.535168     -2.631743      0.055331    0.00  -0.000008807   0.000006897  -0.000013198
 H     -3.819343     -1.749255     -0.334407    0.00  -0.000001222   0.000005267   0.000012061
 H      0.840235     -2.259966      0.280688    0.00  -0.000005173   0.000035582  -0.000028735
 S      2.003067     -0.270693     -0.455987    0.00   0.000349061   0.000007561   0.000183746
 O      1.326139      1.268225     -0.526865    0.00  -0.000009872  -0.000106795  -0.000217753
 O      3.169598     -0.259092      0.427584    0.00  -0.000260064   0.000189614   0.000309157
 H      0.978416     -1.109284      1.597781    0.00  -0.000011458  -0.000027564  -0.000056106
 H      0.078083      2.690739      0.107683    0.00   0.000002004  -0.000004315  -0.000013793
19
 Energy =     -0.0788313131986
 C     -3.223680      0.322809     -0.173215    0.00  -0.000022487   0.000023339   0.000158375
 C     -2.160238      1.206955      0.022095    0.00   0.000018164  -0.000009535   0.000095521
 C     -0.866903      0.714739      0.234537    0.00  -0.000011391  -0.000012264  -0.000048106
 C     -0.634561     -0.675173      0.248762    0.00  -0.000000931  -0.000018776  -0.000105006
 C     -1.707784     -1.556597      0.040374    0.00  -0.000056307   0.000018541  -0.000064615
 C     -2.994986     -1.057754     -0.167681    0.00  -0.000021319   0.000027229   0.000077473
 H      0.713509      1.639476      1.420364    0.00   0.000003948   0.000001171  -0.000013527
 H     -4.229017      0.707760     -0.334551    0.00   0.000013961  -0.000003072   0.000025594
 H     -2.338192      2.281646      0.005354    0.00   0.000005432  -0.000005277   0.000013394
 C      0.303379      1.643732      0.392453    0.00   0.000019944  -0.000025199  -0.000117145
 C      0.731788     -1.191322      0.503075    0.00   0.000018538  -0.000093632  -0.000172289
 H     -1.538512     -2.631638      0.046265    0.00  -0.000008088   0.000006718  -0.000011026
 H     -3.824234     -1.746156     -0.326009    0.00   0.000000056   0.000004596   0.000010719
 H      0.837480     -2.263434      0.255020    0.00  -0.000004660   0.000038774  -0.000023440
 S      2.009298     -0.270461     -0.454154    0.00   0.000303854   0.000007913   0.000177642
 O      1.325192      1.264040     -0.537114    0.00  -0.000002348  -0.000091160  -0.000181258
 O      3.163198     -0.250344      0.446092    0.00  -0.000246860   0.000158605   0.000246203
 H      0.975657     -1.128234      1.585979    0.00  -0.000011203  -0.000023930  -0.000056439
 H      0.079255      2.688689      0.097413    0.00   0.000001697  -0.000004040  -0.000012070
19
 Energy =     -0.0788714440555
 C     -3.225835      0.324883     -0.161729    0.00  -0.000015259   0.000018162   0.000131645
 C     -2.160211      1.207309      0.028782    0.00   0.000019476  -0.000011222   0.000078238
 C     -0.865795      0.713415      0.231290    0.00  -0.000013316  -0.000009162  -0.000041870
 C     -0.634592     -0.676626      0.240813    0.00   0.000000025  -0.000016115  -0.000086511
 C     -1.710149     -1.556305      0.035996    0.00  -0.000050128   0.000018019  -0.000052324
 C     -2.998222     -1.055889     -0.162214    0.00  -0.000012351   0.000021684   0.000066619
 H      0.717716      1.640789      1.411001    0.00   0.000002891   0.000001226  -0.000011593
 H     -4.231932      0.711204     -0.314766    0.00   0.000014723  -0.000003741   0.000021587
 H     -2.337225      2.282219      0.016290    0.00   0.000005342  -0.000005303   0.000010966
 C      0.305098      1.642431      0.384043    0.00   0.000015398  -0.000020914  -0.000098441
 C      0.731232     -1.197301      0.489507    0.00   0.000020403  -0.000081082  -0.000142947
 H     -1.541867     -2.631527      0.037445    0.00  -0.000007363   0.000006519  -0.000008982
 H     -3.829033     -1.743125     -0.317330    0.00   0.000001291   0.000003966   0.000009312
 H      0.834730     -2.266697      0.228786    0.00  -0.000004164   0.000042022  -0.000017972
 S      2.015446     -0.270169     -0.452242    0.00   0.000260397   0.000007546   0.000170804
 O      1.324457      1.259953     -0.547159    0.00   0.000003749  -0.000076342  -0.000146800
 O      3.156412     -0.241718      0.464498    0.00  -0.000231569   0.000128716   0.000185400
 H      0.972899     -1.147572      1.573805    0.00  -0.000010971  -0.000020184  -0.000056842
 H      0.080353      2.686658      0.086889    0.00   0.000001427  -0.000003795  -0.000010287
