Entering Gaussian System, Link 0=g03
 Initial command:
 /apps/gaussian/g09_b01/g09/l1.exe /home/scan-user-1/run/41029/Gau-18044.inp -scrdir=/home/scan-user-1/run/41029/
 Entering Link 1 = /apps/gaussian/g09_b01/g09/l1.exe PID=     18045.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2010,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 09 program.  It is based on
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
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 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492

 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------

 Cite this work as:
 Gaussian 09, Revision B.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2010.
 
 ******************************************
 Gaussian 09:  EM64L-G09RevB.01 12-Aug-2010
                12-Mar-2011 
 ******************************************
 %nprocshared=4
 Will use up to    4 processors via shared memory.
 %mem=7000MB
 %NoSave
 %Chk=chk.chk
 %rwf=/tmp/pbs.5305817.cx1/rwf
 --------------------------------------------------------
 # freq b3lyp/6-31g(d,p) geom=connectivity pop=(full,nbo)
 --------------------------------------------------------
 1/10=4,30=1,38=1,57=2/1,3;
 2/12=2,17=6,18=5,40=1/2;
 3/5=1,6=6,7=101,11=2,16=1,25=1,30=1,71=2,74=-5/1,2,3;
 4//1;
 5/5=2,38=5,98=1/2;
 8/6=4,10=90,11=11/1;
 11/6=1,8=1,9=11,15=111,16=1/1,2,10;
 10/6=1/2;
 6/7=3,18=1,28=1/1,7;
 7/8=1,10=1,25=1/1,2,3,16;
 1/10=4,30=1/3;
 99//99;
 -----------------------------------
 diborabenzene frequency 6-31G (d,p)
 -----------------------------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C
 C                    1    B1
 C                    2    B2       1    A1
 C                    3    B3       2    A2       1    D1       0
 H                    1    B4       2    A3       3    D2       0
 H                    2    B5       1    A4       3    D3       0
 H                    3    B6       2    A5       1    D4       0
 H                    4    B7       3    A6       2    D5       0
 B                    4    B8       3    A7       2    D6       0
 B                    1    B9       2    A8       3    D7       0
       Variables:
  B1                    1.437                    
  B2                    1.39366                  
  B3                    1.437                    
  B4                    1.08394                  
  B5                    1.08831                  
  B6                    1.08831                  
  B7                    1.08394                  
  B8                    1.43071                  
  B9                    1.43071                  
  A1                  127.22928                  
  A2                  127.22944                  
  A3                  118.39476                  
  A4                  115.86672                  
  A5                  116.90387                  
  A6                  118.39467                  
  A7                  109.49483                  
  A8                  109.49506                  
  D1                   -0.00757                  
  D2                 -179.97657                  
  D3                  179.99062                  
  D4                 -180.                       
  D5                 -179.97412                  
  D6                    0.02359                  
  D7                    0.0213                   

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                       ----------------------------
                       !    Initial Parameters    !
                       ! (Angstroms and Degrees)  !
 ----------------------                            ----------------------
 !      Name          Value   Derivative information (Atomic Units)     !
 ------------------------------------------------------------------------
 !       B1          1.437    calculate D2E/DX2 analytically            !
 !       B2          1.3937   calculate D2E/DX2 analytically            !
 !       B3          1.437    calculate D2E/DX2 analytically            !
 !       B4          1.0839   calculate D2E/DX2 analytically            !
 !       B5          1.0883   calculate D2E/DX2 analytically            !
 !       B6          1.0883   calculate D2E/DX2 analytically            !
 !       B7          1.0839   calculate D2E/DX2 analytically            !
 !       B8          1.4307   calculate D2E/DX2 analytically            !
 !       B9          1.4307   calculate D2E/DX2 analytically            !
 !       A1        127.2293   calculate D2E/DX2 analytically            !
 !       A2        127.2294   calculate D2E/DX2 analytically            !
 !       A3        118.3948   calculate D2E/DX2 analytically            !
 !       A4        115.8667   calculate D2E/DX2 analytically            !
 !       A5        116.9039   calculate D2E/DX2 analytically            !
 !       A6        118.3947   calculate D2E/DX2 analytically            !
 !       A7        109.4948   calculate D2E/DX2 analytically            !
 !       A8        109.4951   calculate D2E/DX2 analytically            !
 !       D1         -0.0076   calculate D2E/DX2 analytically            !
 !       D2       -179.9766   calculate D2E/DX2 analytically            !
 !       D3        179.9906   calculate D2E/DX2 analytically            !
 !       D4       -180.0      calculate D2E/DX2 analytically            !
 !       D5       -179.9741   calculate D2E/DX2 analytically            !
 !       D6          0.0236   calculate D2E/DX2 analytically            !
 !       D7          0.0213   calculate D2E/DX2 analytically            !
 ------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07
 Number of steps in this run=      2 maximum allowed number of steps=      2.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.000000    0.000000    0.000000
      2          6           0        0.000000    0.000000    1.436998
      3          6           0        1.109664    0.000000    2.280173
      4          6           0        2.494121   -0.000151    1.895154
      5          1           0       -0.953533    0.000390   -0.515460
      6          1           0       -0.979278    0.000160    1.911807
      7          1           0        0.914596    0.000000    3.350863
      8          1           0        3.246217   -0.000560    2.675716
      9          5           0        2.592765    0.000246    0.467850
     10          5           0        1.348686   -0.000501   -0.477464
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.436998   0.000000
     3  C    2.535851   1.393663   0.000000
     4  C    3.132451   2.535852   1.436998   0.000000
     5  H    1.083939   2.172860   3.474528   4.206825   0.000000
     6  H    2.148020   1.088315   2.121172   3.473439   2.427404
     7  H    3.473437   2.121170   1.088315   2.148020   4.293991
     8  H    4.206825   3.474528   2.172858   1.083939   5.274609
     9  B    2.634637   2.767974   2.341817   1.430709   3.680099
    10  B    1.430709   2.341820   2.767976   2.634642   2.302533
                    6          7          8          9         10
     6  H    0.000000
     7  H    2.378579   0.000000
     8  H    4.293991   2.427402   0.000000
     9  B    3.852857   3.335868   2.302536   0.000000
    10  B    3.335871   3.852859   3.680104   1.562482   0.000000
 Stoichiometry    C4H4B2
 Framework group  C1[X(C4H4B2)]
 Deg. of freedom    24
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.566225   -0.166604   -0.000035
      2          6           0       -0.696830    0.977562    0.000013
      3          6           0        0.696833    0.977559   -0.000015
      4          6           0        1.566226   -0.166608    0.000052
      5          1           0       -2.637304   -0.000129   -0.000393
      6          1           0       -1.189287    1.948085   -0.000080
      7          1           0        1.189292    1.948081    0.000031
      8          1           0        2.637305   -0.000133    0.000448
      9          5           0        0.781238   -1.362736   -0.000399
     10          5           0       -0.781244   -1.362736    0.000381
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      7.0633858      5.0118599      2.9316755
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are   110 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
   110 basis functions,   196 primitive gaussians,   110 cartesian basis functions
    19 alpha electrons       19 beta electrons
       nuclear repulsion energy       162.4612837696 Hartrees.
 NAtoms=   10 NActive=   10 NUniq=   10 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=   110 RedAO= T  NBF=   110
 NBsUse=   110 1.00D-06 NBFU=   110
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.27D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Petite list used in FoFCou.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state of the initial guess is 1-A.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Keep R1 ints in memory in canonical form, NReq=19707017.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -204.370687539     A.U. after   14 cycles
             Convg  =    0.5834D-08             -V/T =  2.0097
 Range of M.O.s used for correlation:     1   110
 NBasis=   110 NAE=    19 NBE=    19 NFC=     0 NFV=     0
 NROrb=    110 NOA=    19 NOB=    19 NVA=    91 NVB=    91

 **** Warning!!: The smallest alpha delta epsilon is  0.78985453D-01

 Symmetrizing basis deriv contribution to polar:
 IMax=3 JMax=2 DiffMx= 0.00D+00
 G2DrvN: will do    11 centers at a time, making    1 passes doing MaxLOS=2.
 Calling FoFCou, ICntrl=  3107 FMM=F I1Cent=   0 AccDes= 0.00D+00.
 FoFDir/FoFCou used for L=0 through L=2.
 End of G2Drv Frequency-dependent properties file   721 does not exist.
 End of G2Drv Frequency-dependent properties file   722 does not exist.
          IDoAtm=1111111111
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
          Keep R1 ints in memory in canonical form, NReq=19461677.
          There are    33 degrees of freedom in the 1st order CPHF.  IDoFFX=5.
     30 vectors produced by pass  0 Test12= 5.24D-15 3.03D-09 XBig12= 1.21D+02 7.06D+00.
 AX will form    30 AO Fock derivatives at one time.
     30 vectors produced by pass  1 Test12= 5.24D-15 3.03D-09 XBig12= 1.77D+01 1.38D+00.
     30 vectors produced by pass  2 Test12= 5.24D-15 3.03D-09 XBig12= 1.50D-01 8.17D-02.
     30 vectors produced by pass  3 Test12= 5.24D-15 3.03D-09 XBig12= 2.84D-04 6.01D-03.
     30 vectors produced by pass  4 Test12= 5.24D-15 3.03D-09 XBig12= 6.73D-07 2.01D-04.
     27 vectors produced by pass  5 Test12= 5.24D-15 3.03D-09 XBig12= 1.99D-09 1.15D-05.
      5 vectors produced by pass  6 Test12= 5.24D-15 3.03D-09 XBig12= 2.73D-12 5.03D-07.
      2 vectors produced by pass  7 Test12= 5.24D-15 3.03D-09 XBig12= 2.52D-15 1.77D-08.
 Inverted reduced A of dimension   184 with in-core refinement.
 Isotropic polarizability for W=    0.000000       60.88 Bohr**3.
 End of Minotr Frequency-dependent properties file   721 does not exist.
 End of Minotr Frequency-dependent properties file   722 does not exist.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.18417 -10.18362 -10.17392 -10.17391  -6.77227
 Alpha  occ. eigenvalues --   -6.77146  -0.79765  -0.71117  -0.63082  -0.52327
 Alpha  occ. eigenvalues --   -0.51679  -0.43628  -0.42682  -0.39194  -0.34211
 Alpha  occ. eigenvalues --   -0.33414  -0.32745  -0.23143  -0.19240
 Alpha virt. eigenvalues --   -0.11342  -0.05432   0.01047   0.03442   0.11385
 Alpha virt. eigenvalues --    0.14590   0.17473   0.17917   0.19682   0.24444
 Alpha virt. eigenvalues --    0.27065   0.30651   0.33591   0.38730   0.40779
 Alpha virt. eigenvalues --    0.42107   0.42412   0.42795   0.50179   0.50547
 Alpha virt. eigenvalues --    0.58010   0.58811   0.59299   0.61880   0.64138
 Alpha virt. eigenvalues --    0.65014   0.66562   0.66847   0.72538   0.73923
 Alpha virt. eigenvalues --    0.82668   0.83299   0.83790   0.85393   0.87837
 Alpha virt. eigenvalues --    0.91278   0.96179   1.07315   1.08398   1.08593
 Alpha virt. eigenvalues --    1.14661   1.15108   1.25184   1.28412   1.30771
 Alpha virt. eigenvalues --    1.35520   1.37609   1.40800   1.42655   1.54364
 Alpha virt. eigenvalues --    1.54811   1.64779   1.69761   1.74269   1.84386
 Alpha virt. eigenvalues --    1.90218   1.90755   1.92417   1.94261   1.97461
 Alpha virt. eigenvalues --    1.98804   2.09862   2.14254   2.19842   2.23894
 Alpha virt. eigenvalues --    2.26084   2.35914   2.40191   2.43289   2.44985
 Alpha virt. eigenvalues --    2.48334   2.48774   2.50492   2.56415   2.57182
 Alpha virt. eigenvalues --    2.64477   2.69351   2.72154   2.92715   3.01916
 Alpha virt. eigenvalues --    3.24709   3.25946   3.33783   3.44973   3.45133
 Alpha virt. eigenvalues --    3.59103   3.73987   4.16673   4.34735   4.45176
 Alpha virt. eigenvalues --    4.70752
     Molecular Orbital Coefficients:
                           1         2         3         4         5
                           O         O         O         O         O
     Eigenvalues --   -10.18417 -10.18362 -10.17392 -10.17391  -6.77227
   1 1   C  1S          0.01377  -0.01471   0.70255   0.70142  -0.00035
   2        2S          0.00056  -0.00053   0.03571   0.03515  -0.00052
   3        2PX        -0.00016   0.00012   0.00013   0.00009   0.00015
   4        2PY        -0.00023   0.00015  -0.00007   0.00002  -0.00016
   5        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
   6        3S          0.00152  -0.00413  -0.01759  -0.01151   0.00073
   7        3PX         0.00050  -0.00219  -0.00458  -0.00202  -0.00084
   8        3PY         0.00119  -0.00136   0.00149   0.00030   0.00164
   9        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  10        4XX        -0.00031   0.00036  -0.00600  -0.00616   0.00022
  11        4YY        -0.00042   0.00052  -0.00627  -0.00638   0.00018
  12        4ZZ        -0.00019   0.00022  -0.00647  -0.00666   0.00001
  13        4XY        -0.00009   0.00012  -0.00009  -0.00011  -0.00045
  14        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  16 2   C  1S          0.70177  -0.70203  -0.01498  -0.01394  -0.00002
  17        2S          0.03442  -0.03515  -0.00105  -0.00084  -0.00012
  18        2PX        -0.00030  -0.00020   0.00013   0.00011  -0.00021
  19        2PY        -0.00017   0.00020   0.00017   0.00017  -0.00003
  20        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  21        3S         -0.00697   0.01556   0.00689   0.00286  -0.00067
  22        3PX         0.00083   0.00227   0.00074  -0.00065   0.00132
  23        3PY         0.00066  -0.00324  -0.00344  -0.00110  -0.00083
  24        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  25        4XX        -0.00667   0.00601  -0.00014  -0.00005  -0.00004
  26        4YY        -0.00657   0.00621  -0.00016  -0.00012   0.00002
  27        4ZZ        -0.00679   0.00655   0.00002   0.00006  -0.00001
  28        4XY         0.00000  -0.00005  -0.00017  -0.00012   0.00006
  29        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  30        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  31 3   C  1S          0.70174   0.70206   0.01496  -0.01396  -0.00002
  32        2S          0.03442   0.03515   0.00105  -0.00084  -0.00012
  33        2PX         0.00030  -0.00020   0.00013  -0.00011   0.00021
  34        2PY        -0.00017  -0.00020  -0.00017   0.00017  -0.00003
  35        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  36        3S         -0.00696  -0.01556  -0.00689   0.00287  -0.00067
  37        3PX        -0.00083   0.00227   0.00074   0.00065  -0.00132
  38        3PY         0.00066   0.00324   0.00344  -0.00110  -0.00083
  39        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  40        4XX        -0.00667  -0.00601   0.00014  -0.00005  -0.00004
  41        4YY        -0.00657  -0.00621   0.00016  -0.00012   0.00002
  42        4ZZ        -0.00679  -0.00655  -0.00002   0.00006  -0.00001
  43        4XY         0.00000  -0.00005  -0.00017   0.00012  -0.00006
  44        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  45        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  46 4   C  1S          0.01377   0.01471  -0.70152   0.70245  -0.00035
  47        2S          0.00056   0.00053  -0.03566   0.03520  -0.00052
  48        2PX         0.00016   0.00012   0.00013  -0.00010  -0.00015
  49        2PY        -0.00023  -0.00015   0.00007   0.00002  -0.00016
  50        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  51        3S          0.00152   0.00413   0.01758  -0.01153   0.00073
  52        3PX        -0.00050  -0.00219  -0.00458   0.00203   0.00084
  53        3PY         0.00119   0.00136  -0.00149   0.00030   0.00164
  54        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  55        4XX        -0.00031  -0.00036   0.00599  -0.00617   0.00022
  56        4YY        -0.00042  -0.00052   0.00626  -0.00639   0.00018
  57        4ZZ        -0.00019  -0.00022   0.00646  -0.00667   0.00001
  58        4XY         0.00009   0.00012  -0.00009   0.00011   0.00045
  59        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  60        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  61 5   H  1S         -0.00002  -0.00002  -0.00046  -0.00043  -0.00019
  62        2S          0.00004  -0.00031   0.00023   0.00081  -0.00039
  63        3PX         0.00005  -0.00002  -0.00029  -0.00028  -0.00006
  64        3PY        -0.00001   0.00006   0.00000   0.00003  -0.00026
  65        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  66 6   H  1S         -0.00030   0.00036   0.00006  -0.00002   0.00021
  67        2S          0.00123  -0.00049   0.00064   0.00011   0.00057
  68        3PX        -0.00004   0.00011   0.00001   0.00004  -0.00001
  69        3PY         0.00010  -0.00019  -0.00003  -0.00004  -0.00004
  70        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  71 7   H  1S         -0.00030  -0.00036  -0.00006  -0.00002   0.00021
  72        2S          0.00123   0.00049  -0.00064   0.00011   0.00057
  73        3PX         0.00004   0.00011   0.00001  -0.00004   0.00001
  74        3PY         0.00010   0.00019   0.00003  -0.00004  -0.00004
  75        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  76 8   H  1S         -0.00002   0.00002   0.00046  -0.00043  -0.00019
  77        2S          0.00004   0.00031  -0.00023   0.00081  -0.00039
  78        3PX        -0.00005  -0.00002  -0.00029   0.00028   0.00006
  79        3PY        -0.00001  -0.00006   0.00000   0.00003  -0.00026
  80        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  81 9   B  1S         -0.00005  -0.00004   0.00002   0.00000   0.70166
  82        2S         -0.00042  -0.00032   0.00024  -0.00020   0.03886
  83        2PX         0.00005  -0.00009   0.00013  -0.00002   0.00043
  84        2PY        -0.00001  -0.00011  -0.00004  -0.00017  -0.00014
  85        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  86        3S          0.00107  -0.00081  -0.01040   0.00379  -0.00671
  87        3PX         0.00014   0.00086  -0.00054   0.00085   0.00076
  88        3PY         0.00058   0.00029  -0.00542   0.00172  -0.00025
  89        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  90        4XX         0.00004   0.00000   0.00005  -0.00009  -0.00680
  91        4YY         0.00015   0.00011   0.00021  -0.00021  -0.00730
  92        4ZZ        -0.00013  -0.00007   0.00009  -0.00004  -0.00725
  93        4XY         0.00000  -0.00001   0.00013  -0.00014   0.00025
  94        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  95        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  96 10  B  1S         -0.00005   0.00004  -0.00002   0.00000   0.70165
  97        2S         -0.00042   0.00032  -0.00024  -0.00020   0.03886
  98        2PX        -0.00005  -0.00009   0.00013   0.00002  -0.00043
  99        2PY        -0.00001   0.00011   0.00004  -0.00017  -0.00014
 100        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
 101        3S          0.00107   0.00081   0.01041   0.00378  -0.00671
 102        3PX        -0.00014   0.00086  -0.00054  -0.00085  -0.00076
 103        3PY         0.00058  -0.00029   0.00542   0.00171  -0.00025
 104        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
 105        4XX         0.00004   0.00000  -0.00005  -0.00009  -0.00680
 106        4YY         0.00015  -0.00011  -0.00021  -0.00021  -0.00730
 107        4ZZ        -0.00013   0.00007  -0.00009  -0.00004  -0.00725
 108        4XY         0.00000  -0.00001   0.00013   0.00014  -0.00025
 109        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
 110        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
                           6         7         8         9        10
                           O         O         O         O         O
     Eigenvalues --    -6.77146  -0.79765  -0.71117  -0.63082  -0.52327
   1 1   C  1S         -0.00039  -0.08885  -0.13117  -0.09744   0.04442
   2        2S         -0.00050   0.16837   0.25475   0.19433  -0.09453
   3        2PX        -0.00005   0.05658   0.02894  -0.01057   0.18346
   4        2PY        -0.00014   0.04100   0.04360  -0.05827  -0.09657
   5        2PZ         0.00000   0.00000   0.00000   0.00000   0.00004
   6        3S          0.00256   0.11399   0.19441   0.15301  -0.08406
   7        3PX         0.00016   0.00129  -0.01554  -0.03118   0.06372
   8        3PY         0.00373   0.00522   0.00730  -0.00994  -0.03550
   9        3PZ         0.00000   0.00000   0.00000  -0.00001   0.00001
  10        4XX        -0.00007   0.00208  -0.00104  -0.00063   0.00260
  11        4YY         0.00000   0.00090  -0.00027  -0.00511   0.00123
  12        4ZZ        -0.00005  -0.00962  -0.01271  -0.00755   0.00420
  13        4XY        -0.00022   0.00476   0.00245  -0.00684  -0.00120
  14        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  16 2   C  1S         -0.00004  -0.13031  -0.07869   0.08646  -0.00183
  17        2S         -0.00017   0.25191   0.15475  -0.17701   0.00120
  18        2PX        -0.00009   0.04210  -0.10355  -0.12931   0.15203
  19        2PY         0.00000  -0.04487  -0.05751  -0.11881  -0.08171
  20        2PZ         0.00000  -0.00001  -0.00001   0.00001   0.00001
  21        3S          0.00262   0.17192   0.13723  -0.13722  -0.00064
  22        3PX         0.00527   0.00664  -0.01361  -0.01920   0.04803
  23        3PY         0.00017  -0.01300  -0.02103  -0.04290  -0.03596
  24        3PZ         0.00000   0.00000   0.00000   0.00001   0.00001
  25        4XX         0.00002   0.00464  -0.00573  -0.00431  -0.00211
  26        4YY        -0.00008  -0.00107   0.00559   0.01082   0.00047
  27        4ZZ        -0.00005  -0.01493  -0.00831   0.00768  -0.00081
  28        4XY         0.00008   0.00240   0.00769   0.00422  -0.00533
  29        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  30        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  31 3   C  1S          0.00004  -0.13031   0.07869   0.08646  -0.00183
  32        2S          0.00017   0.25191  -0.15475  -0.17701   0.00120
  33        2PX        -0.00009  -0.04210  -0.10355   0.12931  -0.15203
  34        2PY         0.00000  -0.04487   0.05751  -0.11881  -0.08171
  35        2PZ         0.00000   0.00001  -0.00001   0.00000  -0.00001
  36        3S         -0.00262   0.17192  -0.13723  -0.13722  -0.00064
  37        3PX         0.00527  -0.00664  -0.01361   0.01920  -0.04803
  38        3PY        -0.00017  -0.01300   0.02103  -0.04290  -0.03596
  39        3PZ         0.00000   0.00000   0.00000   0.00000  -0.00001
  40        4XX        -0.00002   0.00464   0.00573  -0.00431  -0.00211
  41        4YY         0.00008  -0.00107  -0.00559   0.01082   0.00047
  42        4ZZ         0.00005  -0.01493   0.00831   0.00768  -0.00081
  43        4XY         0.00008  -0.00240   0.00769  -0.00422   0.00533
  44        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  45        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  46 4   C  1S          0.00039  -0.08885   0.13117  -0.09744   0.04442
  47        2S          0.00050   0.16837  -0.25475   0.19433  -0.09453
  48        2PX        -0.00005  -0.05658   0.02894   0.01057  -0.18346
  49        2PY         0.00014   0.04100  -0.04360  -0.05827  -0.09657
  50        2PZ         0.00000  -0.00001   0.00000   0.00000  -0.00005
  51        3S         -0.00256   0.11398  -0.19441   0.15301  -0.08406
  52        3PX         0.00016  -0.00129  -0.01554   0.03118  -0.06371
  53        3PY        -0.00373   0.00522  -0.00730  -0.00994  -0.03550
  54        3PZ         0.00000   0.00000   0.00000   0.00001  -0.00001
  55        4XX         0.00007   0.00208   0.00104  -0.00063   0.00260
  56        4YY         0.00000   0.00090   0.00027  -0.00511   0.00123
  57        4ZZ         0.00005  -0.00962   0.01271  -0.00755   0.00420
  58        4XY        -0.00022  -0.00476   0.00245   0.00684   0.00120
  59        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  60        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  61 5   H  1S         -0.00012   0.04031   0.08613   0.08042  -0.14422
  62        2S         -0.00062   0.00676   0.02218   0.02375  -0.09025
  63        3PX        -0.00001   0.00439   0.00816   0.00635  -0.00807
  64        3PY        -0.00026  -0.00022  -0.00068  -0.00204  -0.00011
  65        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  66 6   H  1S          0.00016   0.06180   0.05358  -0.08690  -0.06966
  67        2S          0.00076   0.01792   0.02184  -0.03242  -0.04070
  68        3PX        -0.00012   0.00322   0.00095  -0.00555   0.00036
  69        3PY        -0.00011  -0.00588  -0.00507   0.00516   0.00360
  70        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  71 7   H  1S         -0.00016   0.06180  -0.05358  -0.08690  -0.06966
  72        2S         -0.00076   0.01792  -0.02184  -0.03242  -0.04070
  73        3PX        -0.00012  -0.00322   0.00095   0.00555  -0.00036
  74        3PY         0.00011  -0.00588   0.00507   0.00516   0.00360
  75        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  76 8   H  1S          0.00012   0.04031  -0.08613   0.08042  -0.14422
  77        2S          0.00062   0.00676  -0.02218   0.02375  -0.09025
  78        3PX        -0.00001  -0.00439   0.00816  -0.00635   0.00807
  79        3PY         0.00026  -0.00022   0.00068  -0.00204  -0.00011
  80        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  81 9   B  1S         -0.70232  -0.04197   0.04232  -0.07653  -0.09598
  82        2S         -0.04162   0.06558  -0.06880   0.12713   0.15439
  83        2PX         0.00059   0.00373  -0.05083   0.01998  -0.09913
  84        2PY         0.00027   0.05296  -0.06495   0.06726   0.03088
  85        2PZ         0.00000   0.00002  -0.00002   0.00004   0.00006
  86        3S          0.02383   0.02319  -0.03809   0.08225   0.10960
  87        3PX        -0.00954  -0.00317   0.00671   0.00135  -0.01651
  88        3PY         0.00000  -0.00213   0.00754   0.00252  -0.00945
  89        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  90        4XX         0.00646   0.00165   0.00157   0.00576   0.00556
  91        4YY         0.00677   0.00745  -0.00905   0.00540   0.00206
  92        4ZZ         0.00694  -0.00413   0.00375  -0.00521  -0.00472
  93        4XY        -0.00063   0.00220  -0.00760   0.00655  -0.00396
  94        4XZ         0.00000   0.00000   0.00000   0.00000  -0.00001
  95        4YZ         0.00000   0.00000  -0.00001   0.00001   0.00000
  96 10  B  1S          0.70233  -0.04197  -0.04232  -0.07653  -0.09598
  97        2S          0.04162   0.06558   0.06880   0.12713   0.15439
  98        2PX         0.00059  -0.00373  -0.05083  -0.01998   0.09913
  99        2PY        -0.00027   0.05296   0.06495   0.06726   0.03088
 100        2PZ         0.00000  -0.00002  -0.00002  -0.00004  -0.00006
 101        3S         -0.02383   0.02319   0.03809   0.08225   0.10960
 102        3PX        -0.00954   0.00317   0.00671  -0.00135   0.01651
 103        3PY         0.00000  -0.00213  -0.00754   0.00252  -0.00945
 104        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
 105        4XX        -0.00646   0.00165  -0.00157   0.00576   0.00556
 106        4YY        -0.00677   0.00745   0.00905   0.00540   0.00206
 107        4ZZ        -0.00694  -0.00413  -0.00375  -0.00521  -0.00472
 108        4XY        -0.00063  -0.00220  -0.00760  -0.00655   0.00396
 109        4XZ         0.00000   0.00000   0.00000   0.00000  -0.00001
 110        4YZ         0.00000   0.00000  -0.00001  -0.00001   0.00000
                          11        12        13        14        15
                           O         O         O         O         O
     Eigenvalues --    -0.51679  -0.43628  -0.42682  -0.39194  -0.34211
   1 1   C  1S          0.05643   0.01365  -0.00110  -0.01468   0.02098
   2        2S         -0.11392  -0.03625   0.00427   0.02683  -0.04763
   3        2PX         0.05635  -0.11515   0.31763  -0.11749  -0.04788
   4        2PY         0.17558  -0.14058  -0.07981  -0.19197  -0.24925
   5        2PZ        -0.00001  -0.00002   0.00014   0.00000   0.00014
   6        3S         -0.09740   0.00310  -0.00130   0.01437  -0.11513
   7        3PX         0.04666  -0.02019   0.05900  -0.04704  -0.04924
   8        3PY         0.04313  -0.04348  -0.00861  -0.08153  -0.09463
   9        3PZ         0.00001  -0.00001   0.00004   0.00000   0.00006
  10        4XX        -0.00166  -0.00068  -0.00707   0.00620  -0.00550
  11        4YY         0.00745   0.00304   0.00682  -0.00650   0.00795
  12        4ZZ         0.00280   0.00156   0.00199  -0.00041   0.00318
  13        4XY         0.00987  -0.01001   0.00271  -0.00348  -0.00883
  14        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  16 2   C  1S         -0.09239   0.01248  -0.02345  -0.00509  -0.00671
  17        2S          0.19798  -0.02901   0.04563   0.01305   0.00520
  18        2PX        -0.12158   0.00411  -0.00611   0.33799   0.01373
  19        2PY         0.07548   0.26022  -0.10045   0.02227   0.27318
  20        2PZ        -0.00002  -0.00001   0.00006   0.00001   0.00013
  21        3S          0.13689  -0.04434   0.14099   0.02062   0.06688
  22        3PX        -0.07164   0.00789   0.06993   0.10472   0.02042
  23        3PY         0.05242   0.09452  -0.04463   0.00940   0.04292
  24        3PZ        -0.00001  -0.00001   0.00003   0.00000   0.00008
  25        4XX        -0.01054  -0.00101  -0.00966   0.00713  -0.00439
  26        4YY        -0.00053   0.00310   0.00772  -0.00965   0.00667
  27        4ZZ        -0.00689   0.00085  -0.00220   0.00031  -0.00145
  28        4XY        -0.00684  -0.00190   0.00393   0.00029  -0.02138
  29        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  30        4YZ         0.00000   0.00000   0.00000   0.00000  -0.00001
  31 3   C  1S          0.09239   0.01248   0.02345  -0.00509   0.00671
  32        2S         -0.19798  -0.02901  -0.04563   0.01305  -0.00520
  33        2PX        -0.12158  -0.00411  -0.00611  -0.33799   0.01373
  34        2PY        -0.07548   0.26022   0.10044   0.02227  -0.27318
  35        2PZ        -0.00001   0.00000   0.00006   0.00000   0.00014
  36        3S         -0.13689  -0.04434  -0.14099   0.02062  -0.06688
  37        3PX        -0.07164  -0.00789   0.06993  -0.10472   0.02042
  38        3PY        -0.05242   0.09452   0.04463   0.00940  -0.04291
  39        3PZ        -0.00001   0.00000   0.00003   0.00000   0.00009
  40        4XX         0.01054  -0.00101   0.00966   0.00713   0.00439
  41        4YY         0.00053   0.00310  -0.00772  -0.00965  -0.00667
  42        4ZZ         0.00689   0.00085   0.00220   0.00031   0.00145
  43        4XY        -0.00684   0.00190   0.00393  -0.00029  -0.02138
  44        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  45        4YZ         0.00000   0.00000   0.00000   0.00000  -0.00001
  46 4   C  1S         -0.05643   0.01365   0.00110  -0.01468  -0.02098
  47        2S          0.11392  -0.03625  -0.00427   0.02683   0.04763
  48        2PX         0.05635   0.11516   0.31763   0.11749  -0.04788
  49        2PY        -0.17558  -0.14058   0.07982  -0.19197   0.24925
  50        2PZ        -0.00001   0.00002   0.00015   0.00001   0.00015
  51        3S          0.09740   0.00310   0.00130   0.01437   0.11513
  52        3PX         0.04665   0.02019   0.05900   0.04704  -0.04924
  53        3PY        -0.04313  -0.04348   0.00862  -0.08153   0.09463
  54        3PZ         0.00001   0.00001   0.00005   0.00000   0.00006
  55        4XX         0.00166  -0.00068   0.00707   0.00620   0.00550
  56        4YY        -0.00745   0.00304  -0.00682  -0.00650  -0.00795
  57        4ZZ        -0.00280   0.00156  -0.00199  -0.00041  -0.00318
  58        4XY         0.00987   0.01001   0.00271   0.00348  -0.00883
  59        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  60        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  61 5   H  1S         -0.07227   0.04214  -0.20528   0.08052  -0.02036
  62        2S         -0.03167   0.04334  -0.19632   0.07258  -0.02078
  63        3PX        -0.00393   0.00032  -0.00744   0.00245  -0.00137
  64        3PY         0.00457  -0.00277  -0.00007  -0.00563  -0.00490
  65        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  66 6   H  1S          0.14944   0.12370  -0.02691  -0.08267   0.18821
  67        2S          0.07852   0.10549  -0.01852  -0.08240   0.21050
  68        3PX         0.00299   0.00426  -0.00093   0.00448   0.00400
  69        3PY        -0.00855  -0.00244   0.00038   0.00465  -0.00341
  70        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  71 7   H  1S         -0.14944   0.12370   0.02690  -0.08267  -0.18821
  72        2S         -0.07852   0.10549   0.01851  -0.08240  -0.21049
  73        3PX         0.00299  -0.00426  -0.00093  -0.00448   0.00400
  74        3PY         0.00855  -0.00244  -0.00038   0.00465   0.00341
  75        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  76 8   H  1S          0.07226   0.04215   0.20528   0.08052   0.02036
  77        2S          0.03167   0.04334   0.19632   0.07258   0.02078
  78        3PX        -0.00393  -0.00032  -0.00744  -0.00245  -0.00137
  79        3PY        -0.00457  -0.00277   0.00007  -0.00563   0.00490
  80        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  81 9   B  1S         -0.06040  -0.10503   0.05972   0.02731   0.06575
  82        2S          0.10524   0.17819  -0.10491  -0.04940  -0.12115
  83        2PX         0.09107  -0.07141  -0.05697   0.17433  -0.11217
  84        2PY         0.06073  -0.06458  -0.09971   0.06075  -0.01967
  85        2PZ         0.00004   0.00006  -0.00001  -0.00003   0.00004
  86        3S          0.07091   0.16949  -0.14664  -0.03955  -0.10274
  87        3PX         0.02921   0.00180   0.02148   0.03939  -0.08026
  88        3PY         0.00259  -0.04271  -0.01421   0.02493   0.00348
  89        3PZ         0.00000   0.00000  -0.00001   0.00000   0.00004
  90        4XX         0.00045   0.01402   0.00947  -0.00206  -0.00201
  91        4YY         0.00212  -0.01122  -0.01068  -0.00129   0.00551
  92        4ZZ        -0.00337  -0.00161   0.00322  -0.00128   0.00117
  93        4XY         0.00843   0.00636  -0.00274   0.00300  -0.00567
  94        4XZ         0.00000   0.00000   0.00000   0.00001   0.00000
  95        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  96 10  B  1S          0.06040  -0.10504  -0.05971   0.02731  -0.06575
  97        2S         -0.10524   0.17819   0.10491  -0.04940   0.12115
  98        2PX         0.09107   0.07141  -0.05697  -0.17433  -0.11218
  99        2PY        -0.06073  -0.06458   0.09971   0.06076   0.01968
 100        2PZ         0.00004  -0.00006  -0.00001   0.00003   0.00004
 101        3S         -0.07091   0.16950   0.14664  -0.03955   0.10274
 102        3PX         0.02921  -0.00180   0.02148  -0.03939  -0.08026
 103        3PY        -0.00259  -0.04271   0.01421   0.02493  -0.00348
 104        3PZ         0.00000   0.00000  -0.00001   0.00000   0.00005
 105        4XX        -0.00045   0.01402  -0.00947  -0.00206   0.00201
 106        4YY        -0.00212  -0.01122   0.01068  -0.00129  -0.00551
 107        4ZZ         0.00337  -0.00161  -0.00322  -0.00128  -0.00117
 108        4XY         0.00843  -0.00636  -0.00274  -0.00300  -0.00567
 109        4XZ         0.00000  -0.00001   0.00000   0.00001   0.00000
 110        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
                          16        17        18        19        20
                           O         O         O         O         V
     Eigenvalues --    -0.33414  -0.32745  -0.23143  -0.19240  -0.11342
   1 1   C  1S         -0.02254  -0.00001   0.00001   0.00001   0.00297
   2        2S          0.05235   0.00003  -0.00004  -0.00004  -0.00379
   3        2PX         0.18109  -0.00006  -0.00014  -0.00004  -0.03230
   4        2PY        -0.17874   0.00015   0.00014   0.00007  -0.03981
   5        2PZ         0.00015   0.22131   0.33960   0.09593   0.00017
   6        3S          0.02249  -0.00001   0.00002   0.00016  -0.05065
   7        3PX        -0.00264  -0.00006  -0.00004   0.00011  -0.00464
   8        3PY        -0.03446   0.00007   0.00005   0.00000   0.01004
   9        3PZ         0.00005   0.13111   0.24680   0.06879   0.00016
  10        4XX        -0.01356   0.00000   0.00000   0.00000   0.01873
  11        4YY         0.00926   0.00000   0.00000   0.00000  -0.01305
  12        4ZZ         0.00139   0.00000   0.00000   0.00000  -0.00016
  13        4XY        -0.00378   0.00000   0.00001   0.00000  -0.01426
  14        4XZ         0.00000   0.00996   0.00705   0.00030   0.00001
  15        4YZ         0.00000   0.00391   0.00223  -0.01618   0.00001
  16 2   C  1S          0.01669   0.00001  -0.00002   0.00001   0.02915
  17        2S         -0.03699  -0.00002   0.00005  -0.00001  -0.06358
  18        2PX        -0.15217  -0.00006   0.00005  -0.00001   0.04192
  19        2PY         0.10550  -0.00008  -0.00006  -0.00003   0.08237
  20        2PZ        -0.00001   0.27357   0.17080  -0.27148   0.00017
  21        3S         -0.05685  -0.00007   0.00010  -0.00011  -0.17734
  22        3PX        -0.02902  -0.00005   0.00000  -0.00003   0.05278
  23        3PY         0.02879  -0.00002  -0.00002   0.00003   0.04512
  24        3PZ         0.00000   0.16532   0.12785  -0.21116   0.00015
  25        4XX        -0.00978   0.00001   0.00001   0.00000  -0.00227
  26        4YY         0.01638   0.00000  -0.00002   0.00000   0.01170
  27        4ZZ         0.00081   0.00000   0.00000   0.00000   0.00072
  28        4XY        -0.00042   0.00001   0.00000   0.00000  -0.00488
  29        4XZ        -0.00001   0.00575  -0.01378  -0.01217  -0.00001
  30        4YZ         0.00000  -0.00848  -0.01015  -0.00561  -0.00001
  31 3   C  1S          0.01669   0.00000  -0.00002   0.00000   0.02915
  32        2S         -0.03699   0.00000   0.00004   0.00001  -0.06358
  33        2PX         0.15217   0.00003  -0.00005  -0.00001  -0.04192
  34        2PY         0.10551   0.00015  -0.00007   0.00002   0.08237
  35        2PZ        -0.00013   0.27357  -0.17081  -0.27147  -0.00016
  36        3S         -0.05685   0.00004   0.00010   0.00010  -0.17734
  37        3PX         0.02902  -0.00003   0.00000  -0.00003  -0.05278
  38        3PY         0.02879   0.00005  -0.00003  -0.00004   0.04512
  39        3PZ        -0.00009   0.16533  -0.12785  -0.21115  -0.00014
  40        4XX        -0.00978  -0.00001   0.00001   0.00000  -0.00227
  41        4YY         0.01638   0.00001  -0.00002   0.00000   0.01170
  42        4ZZ         0.00081   0.00000   0.00000   0.00000   0.00072
  43        4XY         0.00042   0.00001   0.00000   0.00000   0.00488
  44        4XZ         0.00000  -0.00575  -0.01378   0.01217  -0.00001
  45        4YZ         0.00001  -0.00848   0.01015  -0.00561   0.00001
  46 4   C  1S         -0.02254   0.00000   0.00001  -0.00001   0.00297
  47        2S          0.05235  -0.00001  -0.00004   0.00004  -0.00379
  48        2PX        -0.18109  -0.00016   0.00016  -0.00004   0.03230
  49        2PY        -0.17875  -0.00023   0.00015  -0.00007  -0.03981
  50        2PZ        -0.00027   0.22131  -0.33960   0.09593  -0.00017
  51        3S          0.02249   0.00002   0.00002  -0.00016  -0.05065
  52        3PX         0.00264  -0.00006   0.00005   0.00011   0.00464
  53        3PY        -0.03446  -0.00009   0.00005   0.00000   0.01004
  54        3PZ        -0.00011   0.13111  -0.24680   0.06879  -0.00016
  55        4XX        -0.01356  -0.00001   0.00000   0.00000   0.01873
  56        4YY         0.00926   0.00001   0.00000   0.00000  -0.01305
  57        4ZZ         0.00139   0.00000   0.00000   0.00000  -0.00016
  58        4XY         0.00378   0.00001  -0.00001   0.00001   0.01426
  59        4XZ         0.00000  -0.00996   0.00705  -0.00030   0.00001
  60        4YZ         0.00000   0.00391  -0.00223  -0.01618  -0.00001
  61 5   H  1S         -0.12970   0.00003   0.00002   0.00000   0.07444
  62        2S         -0.17379   0.00002   0.00004   0.00004   0.13937
  63        3PX        -0.00288   0.00000   0.00000   0.00000  -0.00163
  64        3PY        -0.00327   0.00000   0.00000   0.00000   0.00065
  65        3PZ         0.00000   0.00533   0.00941   0.00272   0.00001
  66 6   H  1S          0.10424  -0.00007  -0.00006  -0.00002   0.03219
  67        2S          0.12303  -0.00007  -0.00010  -0.00004   0.10005
  68        3PX         0.00046   0.00000   0.00000   0.00000   0.00099
  69        3PY        -0.00190   0.00000   0.00000   0.00000   0.00260
  70        3PZ         0.00000   0.00620   0.00448  -0.00767   0.00000
  71 7   H  1S          0.10425   0.00013  -0.00007   0.00002   0.03219
  72        2S          0.12304   0.00014  -0.00011   0.00004   0.10005
  73        3PX        -0.00046   0.00000   0.00000   0.00000  -0.00099
  74        3PY        -0.00190   0.00000   0.00000   0.00000   0.00260
  75        3PZ         0.00000   0.00620  -0.00448  -0.00767   0.00000
  76 8   H  1S         -0.12970  -0.00010   0.00002   0.00001   0.07443
  77        2S         -0.17379  -0.00011   0.00005  -0.00003   0.13937
  78        3PX         0.00288   0.00000   0.00000   0.00000   0.00163
  79        3PY        -0.00327   0.00000   0.00000   0.00000   0.00065
  80        3PZ         0.00000   0.00533  -0.00941   0.00272  -0.00001
  81 9   B  1S          0.01491  -0.00002  -0.00004   0.00007   0.01364
  82        2S         -0.01008   0.00006   0.00005  -0.00015   0.02532
  83        2PX         0.24445   0.00015   0.00001   0.00002  -0.28346
  84        2PY         0.19674   0.00007  -0.00020   0.00009   0.26876
  85        2PZ        -0.00010   0.15074  -0.14884   0.29706   0.00006
  86        3S         -0.00648  -0.00002   0.00013   0.00017  -0.18882
  87        3PX         0.06269   0.00006   0.00002  -0.00017  -0.15843
  88        3PY         0.08300  -0.00002  -0.00015   0.00021   0.25066
  89        3PZ        -0.00003   0.07585  -0.09618   0.20261   0.00004
  90        4XX        -0.00840  -0.00001   0.00000  -0.00001   0.00718
  91        4YY         0.00667  -0.00001   0.00000   0.00000  -0.00293
  92        4ZZ        -0.00218   0.00001   0.00000   0.00001  -0.00031
  93        4XY         0.00269   0.00000   0.00001   0.00000  -0.01184
  94        4XZ         0.00001  -0.00150  -0.01293  -0.00745  -0.00002
  95        4YZ         0.00000   0.01077  -0.01264   0.00172   0.00000
  96 10  B  1S          0.01491   0.00003  -0.00004  -0.00007   0.01364
  97        2S         -0.01008  -0.00006   0.00005   0.00015   0.02532
  98        2PX        -0.24444   0.00003  -0.00001   0.00004   0.28346
  99        2PY         0.19674   0.00002  -0.00020  -0.00008   0.26877
 100        2PZ         0.00003   0.15074   0.14885   0.29706  -0.00008
 101        3S         -0.00648   0.00002   0.00014  -0.00018  -0.18882
 102        3PX        -0.06268   0.00003  -0.00002  -0.00016   0.15843
 103        3PY         0.08300   0.00006  -0.00015  -0.00021   0.25066
 104        3PZ         0.00000   0.07585   0.09618   0.20261  -0.00005
 105        4XX        -0.00840   0.00001   0.00000   0.00001   0.00718
 106        4YY         0.00667   0.00001   0.00000   0.00000  -0.00293
 107        4ZZ        -0.00218  -0.00001   0.00000  -0.00001  -0.00031
 108        4XY        -0.00269   0.00000  -0.00001   0.00000   0.01184
 109        4XZ         0.00001   0.00150  -0.01293   0.00745  -0.00002
 110        4YZ        -0.00001   0.01077   0.01264   0.00172   0.00000
                          21        22        23        24        25
                           V         V         V         V         V
     Eigenvalues --    -0.05432   0.01047   0.03442   0.11385   0.14590
   1 1   C  1S          0.03075   0.00002  -0.00003   0.05687   0.05744
   2        2S         -0.08628  -0.00001   0.00007  -0.10305  -0.09644
   3        2PX        -0.03995  -0.00014   0.00002   0.10599   0.23076
   4        2PY         0.15745   0.00014  -0.00006  -0.02114  -0.00139
   5        2PZ        -0.00024   0.34839  -0.03991  -0.00010   0.00012
   6        3S          0.00516  -0.00034   0.00024  -0.73899  -0.85922
   7        3PX         0.14437  -0.00021  -0.00006   0.38235   0.85326
   8        3PY         0.12359   0.00036  -0.00015   0.01608  -0.03113
   9        3PZ        -0.00024   0.47341  -0.02377  -0.00008   0.00032
  10        4XX        -0.00729  -0.00001  -0.00001   0.01359   0.01532
  11        4YY         0.01119   0.00002   0.00001  -0.00121  -0.00378
  12        4ZZ        -0.00164   0.00000  -0.00001  -0.00039   0.00172
  13        4XY         0.00948   0.00001   0.00000   0.00357  -0.00304
  14        4XZ         0.00000  -0.01020   0.00376   0.00001   0.00000
  15        4YZ         0.00001   0.00411   0.02756   0.00001   0.00000
  16 2   C  1S         -0.01588   0.00000  -0.00003   0.03301   0.01873
  17        2S          0.04206   0.00000   0.00006  -0.05129  -0.00113
  18        2PX        -0.04949  -0.00007  -0.00004   0.05184   0.06944
  19        2PY        -0.06936  -0.00004   0.00000  -0.20365  -0.09794
  20        2PZ         0.00018  -0.14476   0.34210   0.00020  -0.00003
  21        3S         -0.04481   0.00001   0.00026  -0.60212  -0.70162
  22        3PX        -0.07053   0.00002  -0.00009   0.16939  -0.11151
  23        3PY         0.06206  -0.00002   0.00003  -0.43832  -0.19471
  24        3PZ         0.00020  -0.18890   0.46248   0.00031  -0.00004
  25        4XX         0.00261   0.00001   0.00000  -0.00363  -0.01132
  26        4YY        -0.01152  -0.00001   0.00000   0.00865   0.00756
  27        4ZZ         0.00047   0.00000   0.00000   0.00129   0.00428
  28        4XY         0.00480   0.00000   0.00001  -0.02098  -0.00104
  29        4XZ         0.00001  -0.01978  -0.01812  -0.00001   0.00000
  30        4YZ         0.00001  -0.01182   0.00243   0.00000  -0.00001
  31 3   C  1S          0.01588   0.00000  -0.00003   0.03301  -0.01873
  32        2S         -0.04206  -0.00001   0.00006  -0.05129   0.00113
  33        2PX        -0.04949  -0.00007   0.00004  -0.05184   0.06944
  34        2PY         0.06937   0.00004  -0.00002  -0.20365   0.09794
  35        2PZ         0.00016  -0.14476  -0.34210  -0.00019  -0.00001
  36        3S          0.04481  -0.00001   0.00027  -0.60212   0.70161
  37        3PX        -0.07053   0.00002   0.00009  -0.16938  -0.11151
  38        3PY        -0.06206   0.00001   0.00000  -0.43832   0.19471
  39        3PZ         0.00019  -0.18890  -0.46248  -0.00028  -0.00002
  40        4XX        -0.00261  -0.00001   0.00000  -0.00363   0.01132
  41        4YY         0.01153   0.00001   0.00000   0.00865  -0.00756
  42        4ZZ        -0.00047   0.00000   0.00000   0.00129  -0.00428
  43        4XY         0.00480   0.00001  -0.00001   0.02098  -0.00104
  44        4XZ        -0.00001   0.01978  -0.01812  -0.00001   0.00000
  45        4YZ         0.00001  -0.01182  -0.00243   0.00000  -0.00001
  46 4   C  1S         -0.03075  -0.00002  -0.00003   0.05687  -0.05744
  47        2S          0.08628   0.00001   0.00007  -0.10305   0.09644
  48        2PX        -0.03995  -0.00015  -0.00002  -0.10599   0.23076
  49        2PY        -0.15745  -0.00014  -0.00005  -0.02114   0.00139
  50        2PZ        -0.00024   0.34839   0.03991   0.00009   0.00011
  51        3S         -0.00516   0.00034   0.00023  -0.73899   0.85921
  52        3PX         0.14437  -0.00023   0.00006  -0.38235   0.85326
  53        3PY        -0.12359  -0.00036  -0.00015   0.01608   0.03113
  54        3PZ        -0.00024   0.47341   0.02377   0.00005   0.00031
  55        4XX         0.00729   0.00001  -0.00001   0.01359  -0.01532
  56        4YY        -0.01119  -0.00002   0.00001  -0.00121   0.00378
  57        4ZZ         0.00164   0.00000  -0.00001  -0.00039  -0.00172
  58        4XY         0.00948   0.00001  -0.00001  -0.00357  -0.00304
  59        4XZ         0.00000   0.01020   0.00376   0.00001   0.00000
  60        4YZ         0.00001   0.00411  -0.02756  -0.00001   0.00000
  61 5   H  1S         -0.01856  -0.00005  -0.00003   0.03906   0.05826
  62        2S          0.04258  -0.00016  -0.00021   0.85661   1.42892
  63        3PX         0.00072   0.00000   0.00000  -0.00377  -0.00504
  64        3PY         0.00188   0.00000   0.00000  -0.00003   0.00307
  65        3PZ        -0.00001   0.01380  -0.00144  -0.00001   0.00000
  66 6   H  1S         -0.04813  -0.00004  -0.00002   0.06053   0.01205
  67        2S         -0.14480  -0.00010  -0.00017   0.99594   0.50410
  68        3PX        -0.00161   0.00000   0.00000  -0.00439  -0.00007
  69        3PY        -0.00212   0.00000   0.00000   0.00269   0.00147
  70        3PZ         0.00001  -0.00491   0.01317   0.00001   0.00000
  71 7   H  1S          0.04813   0.00005  -0.00002   0.06053  -0.01205
  72        2S          0.14480   0.00012  -0.00017   0.99595  -0.50409
  73        3PX        -0.00161   0.00000   0.00000   0.00439  -0.00007
  74        3PY         0.00212   0.00000   0.00000   0.00269  -0.00147
  75        3PZ         0.00001  -0.00491  -0.01317  -0.00001   0.00000
  76 8   H  1S          0.01856   0.00006  -0.00003   0.03906  -0.05826
  77        2S         -0.04258   0.00017  -0.00021   0.85662  -1.42892
  78        3PX         0.00072   0.00000   0.00000   0.00377  -0.00504
  79        3PY        -0.00188   0.00000   0.00000  -0.00003  -0.00307
  80        3PZ        -0.00001   0.01380   0.00144   0.00001   0.00000
  81 9   B  1S          0.07359  -0.00002   0.00003   0.00679   0.02217
  82        2S         -0.11140   0.00005  -0.00004  -0.04766  -0.05190
  83        2PX        -0.06289  -0.00017   0.00004   0.05380   0.06001
  84        2PY         0.32560   0.00016  -0.00014   0.00782  -0.05143
  85        2PZ        -0.00002  -0.20446   0.27726  -0.00008  -0.00006
  86        3S         -0.03075   0.00006  -0.00032   0.13414   0.50614
  87        3PX        -0.37761  -0.00061  -0.00001   0.22326  -0.37862
  88        3PY         0.40766  -0.00009  -0.00020  -0.10524   0.15942
  89        3PZ         0.00014  -0.28216   0.42751  -0.00001   0.00012
  90        4XX         0.00595   0.00000   0.00001  -0.00625   0.02059
  91        4YY         0.00172   0.00000   0.00000   0.00642  -0.00890
  92        4ZZ        -0.00978  -0.00001  -0.00001  -0.00163  -0.00473
  93        4XY         0.01732   0.00000   0.00001  -0.01374   0.00225
  94        4XZ        -0.00001   0.02540   0.01939   0.00001   0.00000
  95        4YZ         0.00000   0.01742   0.00106   0.00001   0.00001
  96 10  B  1S         -0.07359   0.00002   0.00003   0.00679  -0.02217
  97        2S          0.11140  -0.00005  -0.00004  -0.04766   0.05190
  98        2PX        -0.06289  -0.00018  -0.00005  -0.05380   0.06001
  99        2PY        -0.32560  -0.00017  -0.00012   0.00782   0.05143
 100        2PZ        -0.00003  -0.20445  -0.27726   0.00009  -0.00008
 101        3S          0.03075  -0.00005  -0.00034   0.13414  -0.50614
 102        3PX        -0.37761  -0.00061   0.00001  -0.22327  -0.37863
 103        3PY        -0.40766   0.00009  -0.00017  -0.10524  -0.15942
 104        3PZ         0.00013  -0.28216  -0.42751   0.00002   0.00007
 105        4XX        -0.00595   0.00000   0.00001  -0.00625  -0.02059
 106        4YY        -0.00172   0.00000   0.00000   0.00642   0.00890
 107        4ZZ         0.00978   0.00001  -0.00001  -0.00163   0.00473
 108        4XY         0.01732   0.00000  -0.00001   0.01374   0.00225
 109        4XZ         0.00001  -0.02540   0.01939   0.00001   0.00000
 110        4YZ         0.00000   0.01742  -0.00106  -0.00001   0.00001
                          26        27        28        29        30
                           V         V         V         V         V
     Eigenvalues --     0.17473   0.17917   0.19682   0.24444   0.27065
   1 1   C  1S         -0.00044  -0.08073  -0.03836   0.05826   0.00113
   2        2S          0.00063   0.10852   0.08992  -0.06258  -0.03532
   3        2PX        -0.00052  -0.11251  -0.02542  -0.20643   0.02587
   4        2PY        -0.00007   0.00746   0.09081   0.06254   0.01399
   5        2PZ         0.28349  -0.00154  -0.00002   0.00009   0.00010
   6        3S          0.00797   1.51529   0.23397  -1.40020   0.47416
   7        3PX        -0.00159  -0.37910  -0.56341  -1.19187   0.16434
   8        3PY        -0.00008   0.09978   0.35256   0.48885   0.19207
   9        3PZ         0.54294  -0.00300  -0.00007  -0.00012   0.00040
  10        4XX         0.00001   0.00199  -0.00565  -0.00099   0.01027
  11        4YY        -0.00005  -0.01177  -0.00733  -0.00058  -0.00443
  12        4ZZ        -0.00007  -0.00868   0.00326   0.01765  -0.00202
  13        4XY         0.00001   0.00119  -0.01677   0.01246  -0.02857
  14        4XZ        -0.01715   0.00009   0.00000  -0.00002   0.00002
  15        4YZ         0.00376  -0.00002   0.00000   0.00002   0.00001
  16 2   C  1S          0.00024   0.04782   0.10420  -0.00371   0.01035
  17        2S         -0.00020  -0.04958  -0.18363  -0.01434  -0.00100
  18        2PX         0.00071   0.12965   0.03665  -0.00461  -0.00015
  19        2PY        -0.00080  -0.12560  -0.09444  -0.10209   0.19618
  20        2PZ        -0.26374   0.00138   0.00002  -0.00011  -0.00006
  21        3S         -0.00506  -0.99648  -1.36832   0.23332  -0.31706
  22        3PX         0.00253   0.50260   0.11744  -0.07843  -0.34124
  23        3PY        -0.00181  -0.27979  -0.81077  -0.38464   0.98565
  24        3PZ        -0.46013   0.00253   0.00005  -0.00008  -0.00013
  25        4XX         0.00003   0.00250   0.01956   0.00243  -0.00390
  26        4YY         0.00003   0.00486   0.00012  -0.01277   0.00449
  27        4ZZ         0.00000   0.00268   0.00098   0.00977   0.00199
  28        4XY         0.00002   0.00391   0.00707  -0.01683  -0.01020
  29        4XZ         0.00586  -0.00003   0.00000   0.00000  -0.00001
  30        4YZ        -0.01031   0.00006   0.00000   0.00000  -0.00002
  31 3   C  1S          0.00024   0.04782  -0.10420  -0.00371  -0.01035
  32        2S         -0.00019  -0.04957   0.18364  -0.01434   0.00100
  33        2PX        -0.00071  -0.12965   0.03665   0.00461  -0.00015
  34        2PY        -0.00080  -0.12560   0.09444  -0.10209  -0.19618
  35        2PZ         0.26374  -0.00137   0.00001   0.00012  -0.00006
  36        3S         -0.00512  -0.99646   1.36834   0.23332   0.31709
  37        3PX        -0.00247  -0.50260   0.11745   0.07843  -0.34123
  38        3PY        -0.00180  -0.27977   0.81077  -0.38463  -0.98566
  39        3PZ         0.46013  -0.00251   0.00000   0.00009  -0.00011
  40        4XX         0.00002   0.00250  -0.01956   0.00242   0.00390
  41        4YY         0.00003   0.00486  -0.00012  -0.01277  -0.00449
  42        4ZZ         0.00000   0.00268  -0.00098   0.00977  -0.00199
  43        4XY        -0.00002  -0.00391   0.00707   0.01683  -0.01020
  44        4XZ         0.00586  -0.00003   0.00000   0.00000   0.00001
  45        4YZ         0.01031  -0.00006   0.00000   0.00000  -0.00002
  46 4   C  1S         -0.00043  -0.08073   0.03836   0.05826  -0.00113
  47        2S          0.00062   0.10852  -0.08992  -0.06258   0.03532
  48        2PX         0.00050   0.11251  -0.02542   0.20643   0.02587
  49        2PY        -0.00007   0.00746  -0.09081   0.06254  -0.01399
  50        2PZ        -0.28349   0.00154  -0.00001  -0.00008   0.00011
  51        3S          0.00785   1.51529  -0.23400  -1.40018  -0.47420
  52        3PX         0.00150   0.37908  -0.56342   1.19187   0.16436
  53        3PY        -0.00010   0.09978  -0.35256   0.48885  -0.19208
  54        3PZ        -0.54294   0.00300  -0.00005   0.00016   0.00042
  55        4XX         0.00001   0.00199   0.00565  -0.00099  -0.01027
  56        4YY        -0.00005  -0.01177   0.00733  -0.00058   0.00443
  57        4ZZ        -0.00007  -0.00868  -0.00326   0.01765   0.00202
  58        4XY        -0.00001  -0.00120  -0.01677  -0.01246  -0.02857
  59        4XZ        -0.01715   0.00009   0.00000  -0.00003  -0.00002
  60        4YZ        -0.00376   0.00002   0.00000  -0.00002   0.00001
  61 5   H  1S         -0.00008  -0.00785  -0.02297  -0.04581   0.08078
  62        2S         -0.00476  -1.05104  -0.71246  -0.97507   0.23253
  63        3PX         0.00001   0.00308   0.00343  -0.00051  -0.00426
  64        3PY         0.00000   0.00054   0.01248  -0.00354   0.01745
  65        3PZ         0.01562  -0.00008   0.00000   0.00001   0.00000
  66 6   H  1S          0.00012   0.01690   0.03378   0.00759   0.00041
  67        2S          0.00569   1.01221   1.42119   0.27849  -0.96001
  68        3PX         0.00002   0.00444  -0.00453  -0.00846  -0.00011
  69        3PY         0.00003   0.00506   0.00217  -0.00092  -0.00003
  70        3PZ        -0.01273   0.00007   0.00000  -0.00001   0.00000
  71 7   H  1S          0.00012   0.01690  -0.03378   0.00759  -0.00041
  72        2S          0.00569   1.01219  -1.42120   0.27848   0.96001
  73        3PX        -0.00002  -0.00444  -0.00453   0.00846  -0.00011
  74        3PY         0.00003   0.00506  -0.00217  -0.00092   0.00003
  75        3PZ         0.01273  -0.00007   0.00000   0.00001   0.00000
  76 8   H  1S         -0.00008  -0.00785   0.02297  -0.04581  -0.08078
  77        2S         -0.00461  -1.05103   0.71248  -0.97507  -0.23253
  78        3PX        -0.00001  -0.00308   0.00343   0.00051  -0.00426
  79        3PY         0.00000   0.00054  -0.01248  -0.00354  -0.01745
  80        3PZ        -0.01562   0.00008   0.00000  -0.00001   0.00000
  81 9   B  1S          0.00018   0.02801   0.03421  -0.02842   0.12081
  82        2S          0.00034   0.02801  -0.03339  -0.05242  -0.10710
  83        2PX        -0.00016  -0.01571   0.00305  -0.02521   0.03498
  84        2PY        -0.00045  -0.07395   0.02231  -0.06493   0.02959
  85        2PZ         0.29561  -0.00161  -0.00003   0.00026  -0.00007
  86        3S         -0.00418  -0.52940  -1.57375   1.63424  -3.09607
  87        3PX        -0.00204  -0.36735   0.81074   0.70552   2.22534
  88        3PY        -0.00207  -0.26451  -0.14702   1.06740  -0.07241
  89        3PZ         0.68446  -0.00395  -0.00054   0.00090  -0.00123
  90        4XX         0.00003  -0.00239  -0.00719   0.01611  -0.00345
  91        4YY         0.00006   0.00749  -0.01130  -0.01710  -0.01835
  92        4ZZ        -0.00006  -0.00261  -0.00253   0.01849  -0.01239
  93        4XY         0.00008   0.01216  -0.00277  -0.00396   0.00403
  94        4XZ         0.00915  -0.00006   0.00001   0.00002   0.00001
  95        4YZ        -0.01448   0.00007  -0.00001  -0.00001   0.00001
  96 10  B  1S          0.00018   0.02800  -0.03421  -0.02842  -0.12081
  97        2S          0.00034   0.02802   0.03339  -0.05242   0.10710
  98        2PX         0.00016   0.01571   0.00305   0.02520   0.03498
  99        2PY        -0.00046  -0.07395  -0.02231  -0.06493  -0.02959
 100        2PZ        -0.29561   0.00161  -0.00002  -0.00026  -0.00007
 101        3S         -0.00403  -0.52937   1.57376   1.63423   3.09608
 102        3PX         0.00214   0.36737   0.81074  -0.70553   2.22533
 103        3PY        -0.00205  -0.26451   0.14703   1.06742   0.07242
 104        3PZ        -0.68447   0.00394  -0.00051  -0.00088  -0.00122
 105        4XX         0.00003  -0.00239   0.00719   0.01611   0.00345
 106        4YY         0.00006   0.00749   0.01130  -0.01710   0.01835
 107        4ZZ        -0.00006  -0.00261   0.00253   0.01849   0.01239
 108        4XY        -0.00008  -0.01216  -0.00277   0.00396   0.00403
 109        4XZ         0.00915  -0.00006  -0.00001   0.00002  -0.00001
 110        4YZ         0.01448  -0.00007   0.00000   0.00000   0.00001
                          31        32        33        34        35
                           V         V         V         V         V
     Eigenvalues --     0.30651   0.33591   0.38730   0.40779   0.42107
   1 1   C  1S          0.02212   0.03980  -0.07342   0.00445  -0.02045
   2        2S         -0.01006  -0.02620   0.04468   0.04863  -0.05350
   3        2PX        -0.10644   0.03356   0.04162   0.14317   0.02652
   4        2PY        -0.27850   0.03387  -0.01087   0.02222   0.16465
   5        2PZ        -0.00017  -0.00017   0.00003   0.00000   0.00002
   6        3S         -0.46212  -1.85677   2.76585  -0.14682   0.48687
   7        3PX        -0.41732  -0.10564   1.80219  -0.03328   0.20054
   8        3PY        -1.49312   0.73332  -0.44948   0.16913   1.87920
   9        3PZ        -0.00013  -0.00057   0.00037   0.00004  -0.00026
  10        4XX         0.00276  -0.04409   0.00830  -0.01926   0.00830
  11        4YY         0.00076   0.02706   0.02166   0.00794  -0.04428
  12        4ZZ        -0.00876   0.01761  -0.03211   0.00777   0.02164
  13        4XY         0.02453  -0.00812  -0.02779   0.00509  -0.01223
  14        4XZ         0.00001   0.00000  -0.00003   0.00000   0.00002
  15        4YZ        -0.00001  -0.00002   0.00001   0.00000  -0.00003
  16 2   C  1S         -0.05937   0.06542   0.06682   0.01825   0.01380
  17        2S          0.07977  -0.08855  -0.02279   0.03429  -0.10794
  18        2PX        -0.12923  -0.20476  -0.12417   0.09483   0.17601
  19        2PY        -0.15771   0.08743   0.13213  -0.06087   0.20889
  20        2PZ         0.00008  -0.00002   0.00005   0.00004   0.00008
  21        3S          1.63946  -1.82303  -2.19384  -0.22008   0.45952
  22        3PX        -0.78330  -1.56605  -1.12395  -0.07699   2.19461
  23        3PY        -0.70905   0.27440   1.11480   0.33432   1.14642
  24        3PZ         0.00001   0.00007   0.00004  -0.00004   0.00005
  25        4XX         0.00123   0.02382   0.01708   0.01123  -0.00786
  26        4YY         0.00171  -0.02800   0.00150   0.00397   0.00602
  27        4ZZ        -0.00189   0.00197  -0.00770   0.00763  -0.00493
  28        4XY        -0.03714  -0.00226  -0.00841   0.00936  -0.00808
  29        4XZ         0.00000   0.00002   0.00000   0.00000   0.00001
  30        4YZ         0.00001   0.00001   0.00002   0.00000   0.00002
  31 3   C  1S         -0.05937  -0.06542  -0.06682   0.01825  -0.01380
  32        2S          0.07977   0.08855   0.02279   0.03429   0.10796
  33        2PX         0.12923  -0.20476  -0.12417  -0.09484   0.17605
  34        2PY        -0.15771  -0.08742  -0.13213  -0.06088  -0.20892
  35        2PZ        -0.00008   0.00000   0.00006  -0.00004   0.00008
  36        3S          1.63947   1.82300   2.19386  -0.21996  -0.45968
  37        3PX         0.78328  -1.56606  -1.12395   0.07693   2.19446
  38        3PY        -0.70904  -0.27439  -1.11481   0.33426  -1.14632
  39        3PZ         0.00000   0.00011   0.00006   0.00004   0.00008
  40        4XX         0.00123  -0.02382  -0.01708   0.01123   0.00785
  41        4YY         0.00171   0.02800  -0.00150   0.00397  -0.00601
  42        4ZZ        -0.00189  -0.00197   0.00770   0.00763   0.00492
  43        4XY         0.03714  -0.00226  -0.00840  -0.00936  -0.00809
  44        4XZ         0.00000  -0.00002   0.00001   0.00000  -0.00001
  45        4YZ        -0.00001   0.00001   0.00002   0.00000   0.00002
  46 4   C  1S          0.02212  -0.03980   0.07342   0.00445   0.02044
  47        2S         -0.01006   0.02620  -0.04469   0.04863   0.05355
  48        2PX         0.10644   0.03356   0.04163  -0.14316   0.02646
  49        2PY        -0.27850  -0.03387   0.01087   0.02222  -0.16458
  50        2PZ         0.00017  -0.00018   0.00003   0.00000   0.00002
  51        3S         -0.46210   1.85679  -2.76583  -0.14699  -0.48673
  52        3PX         0.41731  -0.10567   1.80219   0.03338   0.20036
  53        3PY        -1.49312  -0.73331   0.44947   0.16915  -1.87929
  54        3PZ         0.00013  -0.00061   0.00041  -0.00004  -0.00026
  55        4XX         0.00276   0.04409  -0.00830  -0.01926  -0.00830
  56        4YY         0.00076  -0.02706  -0.02166   0.00794   0.04427
  57        4ZZ        -0.00876  -0.01761   0.03211   0.00778  -0.02164
  58        4XY        -0.02453  -0.00812  -0.02779  -0.00509  -0.01225
  59        4XZ         0.00001   0.00001   0.00003   0.00000  -0.00002
  60        4YZ         0.00001  -0.00002   0.00001   0.00000  -0.00003
  61 5   H  1S          0.00498  -0.15141   0.01320  -0.01396   0.00378
  62        2S         -0.00335   0.11571   0.66192   0.21693  -0.36422
  63        3PX        -0.00053   0.00854   0.00780  -0.00479  -0.00100
  64        3PY        -0.01473   0.01167   0.01015   0.01791  -0.00462
  65        3PZ        -0.00001  -0.00001   0.00002  -0.00001  -0.00001
  66 6   H  1S          0.09567  -0.06504   0.03802  -0.06158   0.05700
  67        2S         -0.02955  -0.48806  -0.63087  -0.11483  -0.16083
  68        3PX        -0.01425  -0.01217  -0.00418  -0.00125   0.00221
  69        3PY        -0.00151  -0.01043  -0.00037   0.00755   0.00251
  70        3PZ         0.00000   0.00000   0.00001   0.00000   0.00001
  71 7   H  1S          0.09567   0.06504  -0.03801  -0.06158  -0.05702
  72        2S         -0.02956   0.48806   0.63088  -0.11479   0.16087
  73        3PX         0.01425  -0.01217  -0.00418   0.00125   0.00220
  74        3PY        -0.00151   0.01043   0.00037   0.00755  -0.00251
  75        3PZ        -0.00001   0.00000   0.00001   0.00000   0.00001
  76 8   H  1S          0.00498   0.15141  -0.01320  -0.01396  -0.00382
  77        2S         -0.00334  -0.11570  -0.66194   0.21689   0.36434
  78        3PX         0.00053   0.00854   0.00780   0.00479  -0.00100
  79        3PY        -0.01473  -0.01167  -0.01015   0.01791   0.00461
  80        3PZ         0.00001  -0.00001   0.00002   0.00001  -0.00001
  81 9   B  1S          0.01995   0.01472  -0.07068  -0.04057   0.00782
  82        2S          0.17522   0.03974  -0.13396   0.54036   0.25772
  83        2PX        -0.11877  -0.14210   0.00368   0.36940   0.38065
  84        2PY        -0.13798  -0.11815  -0.28983  -0.51509  -0.24811
  85        2PZ        -0.00026   0.00010  -0.00098  -0.00018   0.00118
  86        3S         -1.31022  -0.43829   3.97053  -0.33764  -0.32292
  87        3PX        -0.64265  -1.39601  -0.51451  -0.39344  -2.01313
  88        3PY        -0.31710  -1.62066   2.69905   0.64260  -0.92249
  89        3PZ        -0.00095   0.00021   0.00195   0.00028  -0.00089
  90        4XX         0.02897  -0.02584   0.02287   0.02301   0.08540
  91        4YY         0.00998   0.01082   0.02261   0.02311  -0.01082
  92        4ZZ        -0.02089  -0.00089   0.01048   0.02916  -0.02249
  93        4XY         0.01984  -0.01868   0.00612   0.06454  -0.01484
  94        4XZ        -0.00003   0.00000   0.00006   0.00001  -0.00005
  95        4YZ         0.00001   0.00001  -0.00007  -0.00001   0.00006
  96 10  B  1S          0.01995  -0.01472   0.07068  -0.04056  -0.00781
  97        2S          0.17522  -0.03974   0.13393   0.54036  -0.25762
  98        2PX         0.11877  -0.14210   0.00370  -0.36939   0.38085
  99        2PY        -0.13798   0.11815   0.28986  -0.51506   0.24803
 100        2PZ         0.00026   0.00010  -0.00098   0.00018   0.00119
 101        3S         -1.31027   0.43829  -3.97050  -0.33788   0.32275
 102        3PX         0.64260  -1.39600  -0.51454   0.39341  -2.01341
 103        3PY        -0.31709   1.62065  -2.69909   0.64242   0.92248
 104        3PZ         0.00093   0.00024   0.00187  -0.00028  -0.00084
 105        4XX         0.02897   0.02584  -0.02287   0.02301  -0.08538
 106        4YY         0.00998  -0.01082  -0.02261   0.02311   0.01082
 107        4ZZ        -0.02089   0.00089  -0.01048   0.02916   0.02248
 108        4XY        -0.01984  -0.01868   0.00612  -0.06454  -0.01485
 109        4XZ        -0.00003   0.00000  -0.00006   0.00000   0.00005
 110        4YZ        -0.00001   0.00001  -0.00007   0.00001   0.00006
                          36        37        38        39        40
                           V         V         V         V         V
     Eigenvalues --     0.42412   0.42795   0.50179   0.50547   0.58010
   1 1   C  1S         -0.03588  -0.00006   0.00003  -0.00733  -0.00010
   2        2S          0.13482   0.00022  -0.00017   0.09928   0.00010
   3        2PX         0.16220   0.00003  -0.00019   0.01108   0.00024
   4        2PY         0.18106  -0.00027   0.00048  -0.06561   0.00063
   5        2PZ        -0.00021   0.12002   0.19657   0.00031   0.33345
   6        3S          0.37716   0.00220   0.00099  -0.47011   0.00246
   7        3PX         0.47723   0.00151   0.00027  -0.07364   0.00217
   8        3PY        -0.23349  -0.00380  -0.00118   0.33961   0.00241
   9        3PZ         0.00006   0.00131  -0.01777  -0.00008  -0.29891
  10        4XX        -0.00617  -0.00001   0.00013  -0.03615  -0.00009
  11        4YY        -0.00487   0.00008  -0.00004   0.01937   0.00000
  12        4ZZ         0.00628  -0.00005   0.00001  -0.00313   0.00005
  13        4XY         0.04394   0.00000   0.00013  -0.04009   0.00000
  14        4XZ        -0.00001   0.01622   0.03275   0.00010   0.01234
  15        4YZ         0.00000  -0.01620  -0.01764  -0.00008   0.01818
  16 2   C  1S          0.00872   0.00006   0.00000   0.00002   0.00007
  17        2S          0.05652   0.00011  -0.00031   0.16674  -0.00011
  18        2PX        -0.10099  -0.00049  -0.00116   0.37498   0.00037
  19        2PY        -0.07917  -0.00016  -0.00034   0.10848   0.00033
  20        2PZ         0.00005   0.10600   0.04239   0.00027   0.64571
  21        3S         -0.45426  -0.00292  -0.00020   0.00682  -0.00080
  22        3PX         0.38696  -0.00486   0.00160  -0.50695   0.00333
  23        3PY         0.29349  -0.00093   0.00116  -0.42830   0.00343
  24        3PZ         0.00000  -0.02115  -0.00125  -0.00004  -0.56256
  25        4XX        -0.00785   0.00005  -0.00019   0.07473  -0.00001
  26        4YY         0.02040   0.00000   0.00012  -0.02880   0.00005
  27        4ZZ        -0.00377  -0.00001   0.00002  -0.01245  -0.00002
  28        4XY         0.04516   0.00001  -0.00003   0.01513   0.00003
  29        4XZ         0.00000  -0.00013  -0.00304   0.00000   0.02773
  30        4YZ         0.00001   0.00718  -0.00761  -0.00001  -0.02718
  31 3   C  1S          0.00873  -0.00006   0.00000   0.00002  -0.00007
  32        2S          0.05648  -0.00011  -0.00031   0.16674   0.00016
  33        2PX         0.10092  -0.00049   0.00117  -0.37498   0.00041
  34        2PY        -0.07909   0.00016  -0.00033   0.10848  -0.00032
  35        2PZ        -0.00006   0.10600  -0.04239  -0.00027   0.64571
  36        3S         -0.45408   0.00291  -0.00020   0.00681   0.00074
  37        3PX        -0.38778  -0.00487  -0.00161   0.50694   0.00327
  38        3PY         0.29391   0.00095   0.00116  -0.42829  -0.00348
  39        3PZ        -0.00001  -0.02115   0.00125   0.00005  -0.56256
  40        4XX        -0.00785  -0.00005  -0.00019   0.07473   0.00001
  41        4YY         0.02040   0.00000   0.00012  -0.02880  -0.00004
  42        4ZZ        -0.00377   0.00001   0.00002  -0.01245   0.00002
  43        4XY        -0.04515   0.00000   0.00003  -0.01513   0.00003
  44        4XZ         0.00000   0.00013  -0.00304   0.00000  -0.02773
  45        4YZ        -0.00001   0.00718   0.00761   0.00001  -0.02718
  46 4   C  1S         -0.03589   0.00005   0.00003  -0.00733   0.00011
  47        2S          0.13480  -0.00022  -0.00017   0.09929  -0.00007
  48        2PX        -0.16221   0.00002   0.00019  -0.01108   0.00025
  49        2PY         0.18112   0.00027   0.00049  -0.06561  -0.00058
  50        2PZ         0.00021   0.12002  -0.19657  -0.00029   0.33345
  51        3S          0.37733  -0.00218   0.00097  -0.47010  -0.00250
  52        3PX        -0.47730   0.00148  -0.00026   0.07363   0.00218
  53        3PY        -0.23278   0.00380  -0.00117   0.33962  -0.00245
  54        3PZ        -0.00007   0.00131   0.01777   0.00008  -0.29891
  55        4XX        -0.00617   0.00001   0.00013  -0.03615   0.00011
  56        4YY        -0.00489  -0.00007  -0.00004   0.01937   0.00001
  57        4ZZ         0.00629   0.00005   0.00001  -0.00312  -0.00006
  58        4XY        -0.04394   0.00000  -0.00013   0.04009   0.00001
  59        4XZ        -0.00001  -0.01622   0.03275   0.00010  -0.01234
  60        4YZ         0.00000  -0.01620   0.01764   0.00008   0.01818
  61 5   H  1S         -0.08486  -0.00003   0.00042  -0.12166  -0.00019
  62        2S          0.32882   0.00130  -0.00006  -0.02109   0.00084
  63        3PX         0.00112   0.00001  -0.00004   0.01435   0.00002
  64        3PY        -0.01802   0.00001  -0.00009   0.02531   0.00004
  65        3PZ        -0.00001  -0.00186  -0.00585  -0.00003   0.00105
  66 6   H  1S         -0.05155  -0.00002   0.00026  -0.06620   0.00017
  67        2S          0.10052  -0.00035  -0.00068   0.28028  -0.00079
  68        3PX         0.02124  -0.00001   0.00008  -0.02381   0.00003
  69        3PY         0.00822   0.00000   0.00004  -0.01334   0.00004
  70        3PZ         0.00000   0.00532   0.00111   0.00001  -0.00415
  71 7   H  1S         -0.05153   0.00001   0.00027  -0.06620  -0.00015
  72        2S          0.10046   0.00036  -0.00068   0.28028   0.00082
  73        3PX        -0.02124  -0.00001  -0.00008   0.02381   0.00003
  74        3PY         0.00822   0.00001   0.00005  -0.01334  -0.00004
  75        3PZ         0.00000   0.00532  -0.00111  -0.00001  -0.00415
  76 8   H  1S         -0.08486   0.00003   0.00042  -0.12166   0.00025
  77        2S          0.32869  -0.00128  -0.00006  -0.02109  -0.00086
  78        3PX        -0.00112   0.00001   0.00004  -0.01435   0.00002
  79        3PY        -0.01802  -0.00001  -0.00009   0.02531  -0.00003
  80        3PZ         0.00001  -0.00186   0.00585   0.00003   0.00105
  81 9   B  1S          0.02478  -0.00010  -0.00009   0.01760  -0.00007
  82        2S          0.28127  -0.00062  -0.00171   0.66892  -0.00027
  83        2PX        -0.50804  -0.00045   0.00029  -0.14443  -0.00090
  84        2PY        -0.21535  -0.00012  -0.00060   0.29753   0.00103
  85        2PZ         0.00002   0.76238  -0.79319  -0.00237  -0.16641
  86        3S         -0.46549   0.00465   0.00060  -0.24924   0.00423
  87        3PX         0.74009   0.00302  -0.00102   0.49594  -0.00343
  88        3PY        -0.04355   0.00504   0.00067  -0.26394  -0.00214
  89        3PZ        -0.00044  -0.70561   1.24004   0.00359   0.28820
  90        4XX         0.05872  -0.00020  -0.00019   0.06587  -0.00010
  91        4YY         0.01411   0.00002  -0.00001   0.01293   0.00003
  92        4ZZ        -0.03570   0.00012   0.00009  -0.02545   0.00001
  93        4XY         0.01680   0.00002  -0.00007   0.00136  -0.00001
  94        4XZ        -0.00006  -0.03759  -0.02585  -0.00012   0.04251
  95        4YZ         0.00003   0.02067  -0.03248  -0.00004  -0.02392
  96 10  B  1S          0.02479   0.00010  -0.00009   0.01760   0.00007
  97        2S          0.28137   0.00063  -0.00170   0.66892   0.00037
  98        2PX         0.50790  -0.00042  -0.00029   0.14444  -0.00095
  99        2PY        -0.21544   0.00011  -0.00062   0.29753  -0.00099
 100        2PZ        -0.00005   0.76238   0.79319   0.00237  -0.16641
 101        3S         -0.46564  -0.00466   0.00058  -0.24922  -0.00434
 102        3PX        -0.73934   0.00297   0.00103  -0.49593  -0.00340
 103        3PY        -0.04389  -0.00504   0.00068  -0.26395   0.00210
 104        3PZ         0.00047  -0.70561  -1.24004  -0.00358   0.28820
 105        4XX         0.05876   0.00020  -0.00019   0.06587   0.00011
 106        4YY         0.01410  -0.00002  -0.00001   0.01293  -0.00003
 107        4ZZ        -0.03571  -0.00012   0.00009  -0.02545   0.00000
 108        4XY        -0.01679   0.00002   0.00007  -0.00136   0.00001
 109        4XZ        -0.00006   0.03759  -0.02585  -0.00012  -0.04251
 110        4YZ        -0.00003   0.02067   0.03248   0.00004  -0.02392
                          41        42        43        44        45
                           V         V         V         V         V
     Eigenvalues --     0.58811   0.59299   0.61880   0.64138   0.65014
   1 1   C  1S         -0.05061  -0.04844  -0.00584   0.01816   0.00002
   2        2S         -0.06429   0.22483  -0.10750  -0.20236  -0.00036
   3        2PX         0.23367   0.22635  -0.05670  -0.15723   0.00002
   4        2PY        -0.26423   0.39837  -0.15770  -0.32670  -0.00049
   5        2PZ         0.00043  -0.00082  -0.00063   0.00069  -0.53928
   6        3S          0.07015   1.08524   0.78763   0.39253   0.00050
   7        3PX        -0.31506   0.91439   0.53417   0.15037  -0.00027
   8        3PY         0.14504   0.40528   1.61640   0.64567   0.00086
   9        3PZ        -0.00050   0.00075   0.00043  -0.00091   0.65473
  10        4XX        -0.07852  -0.01276  -0.01460  -0.02951  -0.00004
  11        4YY        -0.07504   0.02501   0.00823   0.03522   0.00001
  12        4ZZ         0.06772   0.01161  -0.00474  -0.01760  -0.00001
  13        4XY         0.02809   0.00134  -0.01383   0.01612   0.00003
  14        4XZ        -0.00003  -0.00004  -0.00002   0.00005  -0.02877
  15        4YZ         0.00003  -0.00008  -0.00009  -0.00001  -0.01128
  16 2   C  1S          0.01537   0.06696  -0.04860  -0.05109  -0.00006
  17        2S         -0.21752  -0.06541   0.07689  -0.38877  -0.00059
  18        2PX         0.21035  -0.05898   0.46156  -0.27421  -0.00034
  19        2PY         0.09991   0.12633   0.00345  -0.17134  -0.00016
  20        2PZ         0.00003  -0.00106  -0.00037   0.00062  -0.50413
  21        3S          0.32873  -0.41307  -0.08383   0.19107   0.00028
  22        3PX        -0.35066   1.18436   1.13783   0.42839   0.00044
  23        3PY         0.07630   1.37657   0.94733   0.28335   0.00031
  24        3PZ         0.00009   0.00093   0.00035  -0.00071   0.62767
  25        4XX        -0.01368   0.04531  -0.08626  -0.07936  -0.00012
  26        4YY        -0.02423   0.05340  -0.02487  -0.13968  -0.00017
  27        4ZZ         0.01268  -0.03888   0.04650   0.06279   0.00008
  28        4XY         0.01190   0.01836  -0.00378   0.01241   0.00002
  29        4XZ        -0.00001  -0.00002   0.00002  -0.00002   0.01763
  30        4YZ        -0.00001   0.00008   0.00007  -0.00003   0.03456
  31 3   C  1S          0.01538  -0.06695   0.04860  -0.05109  -0.00006
  32        2S         -0.21753   0.06538  -0.07690  -0.38877  -0.00057
  33        2PX        -0.21035  -0.05901   0.46156   0.27420   0.00033
  34        2PY         0.09992  -0.12631  -0.00346  -0.17134  -0.00013
  35        2PZ         0.00007  -0.00104  -0.00030  -0.00060   0.50413
  36        3S          0.32866   0.41312   0.08385   0.19106   0.00041
  37        3PX         0.35049   1.18441   1.13784  -0.42837  -0.00070
  38        3PY         0.07650  -1.37657  -0.94733   0.28336   0.00026
  39        3PZ        -0.00019   0.00094   0.00031   0.00068  -0.62767
  40        4XX        -0.01368  -0.04531   0.08626  -0.07936  -0.00012
  41        4YY        -0.02423  -0.05340   0.02487  -0.13968  -0.00017
  42        4ZZ         0.01267   0.03888  -0.04650   0.06279   0.00008
  43        4XY        -0.01190   0.01836  -0.00378  -0.01241  -0.00002
  44        4XZ        -0.00001   0.00002  -0.00002  -0.00002   0.01763
  45        4YZ         0.00001   0.00008   0.00006   0.00004  -0.03456
  46 4   C  1S         -0.05061   0.04843   0.00584   0.01816   0.00003
  47        2S         -0.06426  -0.22484   0.10749  -0.20236  -0.00036
  48        2PX        -0.23370   0.22632  -0.05670   0.15723  -0.00004
  49        2PY        -0.26418  -0.39840   0.15770  -0.32671  -0.00047
  50        2PZ        -0.00038  -0.00080  -0.00059  -0.00067   0.53929
  51        3S          0.07031  -1.08523  -0.78762   0.39254   0.00042
  52        3PX         0.31492   0.91442   0.53418  -0.15039   0.00037
  53        3PY         0.14512  -0.40526  -1.61640   0.64568   0.00105
  54        3PZ         0.00045   0.00076   0.00040   0.00089  -0.65474
  55        4XX        -0.07853   0.01275   0.01460  -0.02951  -0.00003
  56        4YY        -0.07504  -0.02502  -0.00823   0.03522   0.00002
  57        4ZZ         0.06772  -0.01160   0.00474  -0.01760  -0.00002
  58        4XY        -0.02809   0.00134  -0.01383  -0.01612  -0.00002
  59        4XZ        -0.00004   0.00005   0.00002   0.00005  -0.02877
  60        4YZ        -0.00003  -0.00008  -0.00010   0.00001   0.01128
  61 5   H  1S         -0.32994  -0.03250  -0.00159  -0.05570  -0.00012
  62        2S         -0.00212   0.48705   0.02526   0.00753  -0.00013
  63        3PX         0.00565   0.00055   0.00582   0.00600   0.00000
  64        3PY        -0.00708   0.00591   0.03444   0.00462  -0.00001
  65        3PZ         0.00000  -0.00001  -0.00001  -0.00001   0.00689
  66 6   H  1S         -0.07696   0.19461  -0.16344  -0.44976  -0.00059
  67        2S         -0.17591  -0.37567  -0.08878   0.07013   0.00007
  68        3PX        -0.01047   0.01258   0.01146   0.01657   0.00002
  69        3PY        -0.00354   0.02399   0.00104  -0.02630  -0.00004
  70        3PZ         0.00000   0.00002   0.00001  -0.00001   0.00627
  71 7   H  1S         -0.07693  -0.19461   0.16343  -0.44976  -0.00060
  72        2S         -0.17597   0.37564   0.08878   0.07012   0.00013
  73        3PX         0.01047   0.01258   0.01146  -0.01657  -0.00002
  74        3PY        -0.00354  -0.02399  -0.00105  -0.02630  -0.00004
  75        3PZ         0.00000   0.00002   0.00001   0.00001  -0.00628
  76 8   H  1S         -0.32995   0.03246   0.00158  -0.05571  -0.00008
  77        2S         -0.00205  -0.48704  -0.02526   0.00754  -0.00020
  78        3PX        -0.00565   0.00055   0.00582  -0.00600   0.00000
  79        3PY        -0.00708  -0.00591  -0.03444   0.00462   0.00000
  80        3PZ         0.00000  -0.00001  -0.00001   0.00001  -0.00689
  81 9   B  1S          0.02741  -0.03095  -0.05426   0.01798   0.00001
  82        2S         -0.67691  -0.23675  -0.00595   0.35832   0.00017
  83        2PX        -0.20706  -0.35635  -0.61795  -0.01882   0.00005
  84        2PY        -0.27209   0.41378  -0.06303   0.15019   0.00021
  85        2PZ        -0.00041   0.00048   0.00040   0.00014  -0.24058
  86        3S          0.67871   2.30365   0.54543  -0.13205   0.00016
  87        3PX         0.00753  -1.12350  -0.89347   0.23022   0.00022
  88        3PY         0.33410  -0.42049  -0.12136  -0.20327  -0.00008
  89        3PZ         0.00042   0.00007  -0.00012  -0.00056   0.68077
  90        4XX        -0.04238  -0.03663  -0.12806   0.05726   0.00002
  91        4YY         0.00879  -0.00338   0.03870  -0.00356   0.00000
  92        4ZZ        -0.00786   0.01308   0.04920  -0.03078   0.00001
  93        4XY         0.14793   0.03266  -0.00882   0.00453   0.00000
  94        4XZ         0.00002   0.00004   0.00015  -0.00003   0.01711
  95        4YZ        -0.00004  -0.00001  -0.00001  -0.00003   0.02741
  96 10  B  1S          0.02741   0.03095   0.05426   0.01798   0.00000
  97        2S         -0.67694   0.23668   0.00595   0.35833   0.00011
  98        2PX         0.20711  -0.35632  -0.61796   0.01882   0.00006
  99        2PY        -0.27203  -0.41382   0.06303   0.15019   0.00013
 100        2PZ         0.00037   0.00049   0.00041  -0.00015   0.24058
 101        3S          0.67900  -2.30359  -0.54543  -0.13204   0.00017
 102        3PX        -0.00738  -1.12349  -0.89346  -0.23022  -0.00013
 103        3PY         0.33404   0.42053   0.12136  -0.20326  -0.00012
 104        3PZ        -0.00036   0.00005  -0.00013   0.00059  -0.68076
 105        4XX        -0.04239   0.03663   0.12806   0.05726   0.00000
 106        4YY         0.00879   0.00338  -0.03870  -0.00356   0.00001
 107        4ZZ        -0.00786  -0.01309  -0.04920  -0.03078   0.00001
 108        4XY        -0.14793   0.03265  -0.00882  -0.00453  -0.00001
 109        4XZ         0.00000  -0.00004  -0.00015  -0.00004   0.01711
 110        4YZ         0.00004  -0.00001  -0.00001   0.00003  -0.02741
                          46        47        48        49        50
                           V         V         V         V         V
     Eigenvalues --     0.66562   0.66847   0.72538   0.73923   0.82668
   1 1   C  1S         -0.08915  -0.00037   0.03572  -0.00005   0.04349
   2        2S          0.00938   0.00011   0.02757   0.00016  -0.04593
   3        2PX         0.09354   0.00045   0.18577  -0.00044   0.57621
   4        2PY        -0.29826  -0.00159   0.20419  -0.00027  -0.25935
   5        2PZ         0.00289  -0.67708   0.00076   0.49707   0.00018
   6        3S          1.11874   0.00456  -0.34625   0.00040  -0.38686
   7        3PX         0.85057   0.00352  -1.05707   0.00225  -1.96870
   8        3PY        -0.27921  -0.00183  -0.71889   0.00099   1.10285
   9        3PZ        -0.00397   1.02876  -0.00184  -1.13446  -0.00062
  10        4XX        -0.09701  -0.00035  -0.02373   0.00005   0.13758
  11        4YY        -0.06582  -0.00029   0.08874  -0.00009  -0.05520
  12        4ZZ         0.07207   0.00028  -0.01478   0.00001  -0.04806
  13        4XY         0.05284   0.00023   0.01153  -0.00002  -0.00859
  14        4XZ         0.00000  -0.02306   0.00000   0.01137   0.00007
  15        4YZ         0.00005   0.00447   0.00000  -0.00199   0.00000
  16 2   C  1S          0.01430   0.00006  -0.00553   0.00001  -0.00796
  17        2S         -0.16154  -0.00060   0.38374  -0.00036   0.19515
  18        2PX         0.18067   0.00052   0.00148   0.00008  -0.12576
  19        2PY         0.13180   0.00052  -0.32138   0.00035   0.04971
  20        2PZ        -0.00174   0.35195  -0.00084  -0.58126   0.00004
  21        3S         -0.88215  -0.00411   0.44031  -0.00089  -0.45987
  22        3PX        -0.87261  -0.00464  -0.36674   0.00034   0.55844
  23        3PY         0.51813   0.00148   0.20148  -0.00014  -0.50074
  24        3PZ         0.00242  -0.52792   0.00193   1.34663   0.00008
  25        4XX        -0.05637  -0.00022   0.07113  -0.00007  -0.02126
  26        4YY        -0.01869  -0.00008  -0.01440   0.00002   0.02967
  27        4ZZ         0.01310   0.00005   0.00910  -0.00002   0.01036
  28        4XY        -0.00199  -0.00004   0.07085  -0.00011   0.01782
  29        4XZ        -0.00017   0.02753  -0.00001  -0.00150  -0.00001
  30        4YZ         0.00000   0.00548   0.00001   0.00233  -0.00001
  31 3   C  1S         -0.01430  -0.00006  -0.00554   0.00001  -0.00796
  32        2S          0.16152   0.00060   0.38374  -0.00037   0.19515
  33        2PX         0.18067   0.00051  -0.00148  -0.00007   0.12578
  34        2PY        -0.13179  -0.00052  -0.32138   0.00037   0.04971
  35        2PZ        -0.00179   0.35195   0.00083   0.58126  -0.00005
  36        3S          0.88216   0.00414   0.44031  -0.00085  -0.45977
  37        3PX        -0.87262  -0.00461   0.36674  -0.00039  -0.55858
  38        3PY        -0.51813  -0.00149   0.20147  -0.00019  -0.50078
  39        3PZ         0.00250  -0.52792  -0.00192  -1.34663  -0.00007
  40        4XX         0.05637   0.00022   0.07113  -0.00006  -0.02126
  41        4YY         0.01869   0.00007  -0.01440   0.00001   0.02967
  42        4ZZ        -0.01310  -0.00005   0.00910  -0.00002   0.01036
  43        4XY        -0.00199  -0.00004  -0.07085   0.00011  -0.01782
  44        4XZ         0.00017  -0.02753   0.00000  -0.00150  -0.00001
  45        4YZ         0.00000   0.00548  -0.00001  -0.00233   0.00001
  46 4   C  1S          0.08915   0.00037   0.03573  -0.00005   0.04349
  47        2S         -0.00938  -0.00011   0.02756   0.00015  -0.04594
  48        2PX         0.09354   0.00047  -0.18577   0.00044  -0.57624
  49        2PY         0.29825   0.00160   0.20420  -0.00028  -0.25937
  50        2PZ         0.00282  -0.67707  -0.00075  -0.49707  -0.00021
  51        3S         -1.11873  -0.00457  -0.34628   0.00040  -0.38686
  52        3PX         0.85056   0.00352   1.05708  -0.00222   1.96883
  53        3PY         0.27922   0.00181  -0.71888   0.00102   1.10292
  54        3PZ        -0.00386   1.02876   0.00185   1.13446   0.00069
  55        4XX         0.09701   0.00035  -0.02372   0.00004   0.13758
  56        4YY         0.06582   0.00029   0.08874  -0.00009  -0.05520
  57        4ZZ        -0.07207  -0.00027  -0.01478   0.00001  -0.04806
  58        4XY         0.05284   0.00023  -0.01153   0.00002   0.00858
  59        4XZ         0.00001   0.02306   0.00001   0.01137   0.00007
  60        4YZ         0.00005   0.00447  -0.00001   0.00199   0.00000
  61 5   H  1S         -0.36097  -0.00141  -0.15330   0.00036   0.49048
  62        2S          0.64056   0.00280  -0.30427   0.00067  -1.78373
  63        3PX         0.02810   0.00012  -0.01701   0.00003  -0.09106
  64        3PY        -0.01559  -0.00009  -0.00922   0.00001   0.01361
  65        3PZ        -0.00002   0.01060  -0.00002  -0.01912  -0.00002
  66 6   H  1S         -0.03876  -0.00014  -0.27939   0.00043  -0.02441
  67        2S         -0.42929  -0.00174   0.07554  -0.00009   0.47849
  68        3PX        -0.00080  -0.00002   0.00174  -0.00001  -0.00166
  69        3PY        -0.00307  -0.00003   0.00537   0.00000  -0.02355
  70        3PZ         0.00002  -0.00307   0.00002   0.01559   0.00000
  71 7   H  1S          0.03876   0.00013  -0.27939   0.00043  -0.02441
  72        2S          0.42928   0.00174   0.07555  -0.00009   0.47853
  73        3PX        -0.00080  -0.00002  -0.00174   0.00001   0.00166
  74        3PY         0.00307   0.00003   0.00537   0.00000  -0.02356
  75        3PZ         0.00002  -0.00307  -0.00002  -0.01559   0.00000
  76 8   H  1S          0.36097   0.00140  -0.15329   0.00035   0.49049
  77        2S         -0.64056  -0.00280  -0.30429   0.00065  -1.78382
  78        3PX         0.02810   0.00012   0.01701  -0.00003   0.09107
  79        3PY         0.01559   0.00009  -0.00922   0.00001   0.01361
  80        3PZ        -0.00002   0.01060   0.00002   0.01912   0.00003
  81 9   B  1S         -0.03320  -0.00012  -0.04445   0.00009   0.02803
  82        2S          0.36737   0.00104  -0.32543   0.00095   0.07624
  83        2PX         0.28733   0.00173   0.16881  -0.00032  -0.05570
  84        2PY         0.59032   0.00256   0.31077  -0.00041   0.08605
  85        2PZ        -0.00026   0.09313   0.00028   0.13583  -0.00005
  86        3S          0.72076   0.00437   0.30668  -0.00070   1.41817
  87        3PX         0.16599   0.00082  -0.76471   0.00140   0.43043
  88        3PY         0.37820   0.00234   0.16887  -0.00043   0.61623
  89        3PZ         0.00124  -0.30199  -0.00143  -0.70572   0.00046
  90        4XX         0.03262   0.00024  -0.02891   0.00011  -0.04435
  91        4YY        -0.04626  -0.00026  -0.14879   0.00020   0.09669
  92        4ZZ         0.04113   0.00012   0.10785  -0.00021  -0.04316
  93        4XY        -0.05601  -0.00022   0.04988  -0.00005   0.08827
  94        4XZ        -0.00008  -0.01220   0.00007  -0.00848  -0.00001
  95        4YZ         0.00004  -0.04544  -0.00005  -0.02967   0.00003
  96 10  B  1S          0.03320   0.00012  -0.04445   0.00009   0.02803
  97        2S         -0.36736  -0.00103  -0.32544   0.00101   0.07630
  98        2PX         0.28734   0.00174  -0.16881   0.00036   0.05571
  99        2PY        -0.59033  -0.00255   0.31076  -0.00041   0.08605
 100        2PZ        -0.00031   0.09313  -0.00028  -0.13583   0.00006
 101        3S         -0.72077  -0.00437   0.30666  -0.00091   1.41782
 102        3PX         0.16597   0.00081   0.76472  -0.00148  -0.43055
 103        3PY        -0.37820  -0.00235   0.16885  -0.00044   0.61618
 104        3PZ         0.00132  -0.30199   0.00143   0.70572  -0.00045
 105        4XX        -0.03262  -0.00024  -0.02891   0.00010  -0.04436
 106        4YY         0.04626   0.00026  -0.14879   0.00021   0.09669
 107        4ZZ        -0.04113  -0.00012   0.10785  -0.00020  -0.04315
 108        4XY        -0.05601  -0.00022  -0.04988   0.00006  -0.08827
 109        4XZ         0.00007   0.01220   0.00006  -0.00848  -0.00001
 110        4YZ         0.00005  -0.04544   0.00005   0.02967  -0.00003
                          51        52        53        54        55
                           V         V         V         V         V
     Eigenvalues --     0.83299   0.83790   0.85393   0.87837   0.91278
   1 1   C  1S          0.01426  -0.00301   0.00519   0.01334   0.00092
   2        2S         -0.18261   0.15366   0.20288  -0.13490  -0.23544
   3        2PX         0.53277   0.08202  -0.16563   0.45023   0.22590
   4        2PY        -0.23558   0.18208  -0.36170  -0.06030   0.27523
   5        2PZ         0.00005   0.00004  -0.00016   0.00029   0.00006
   6        3S         -0.21137  -1.33979  -0.10981  -0.05199   0.15421
   7        3PX        -2.31591  -1.04344   1.01599  -1.06397  -0.67173
   8        3PY         0.96174  -1.01401   1.58292  -0.30014  -1.19609
   9        3PZ        -0.00029  -0.00013   0.00040  -0.00065  -0.00020
  10        4XX         0.00523  -0.03371   0.01954   0.13666   0.03286
  11        4YY        -0.02933   0.00393   0.03323  -0.08558  -0.04661
  12        4ZZ         0.00245   0.00969  -0.00260  -0.05385  -0.01374
  13        4XY         0.00866  -0.06151   0.04352  -0.03565  -0.04978
  14        4XZ         0.00008  -0.00003   0.00000   0.00000   0.00003
  15        4YZ         0.00003   0.00002   0.00001   0.00001  -0.00003
  16 2   C  1S          0.00060  -0.04075   0.02026   0.00552  -0.00756
  17        2S         -0.04674   0.14920   0.24721  -0.23226  -0.95948
  18        2PX        -0.40425   0.09957   0.04899   0.35628   0.28498
  19        2PY         0.21523   0.65396  -0.54514  -0.10110  -0.30014
  20        2PZ         0.00010  -0.00010   0.00007  -0.00006   0.00002
  21        3S          1.85429   0.68391  -1.24687   0.17522   2.81451
  22        3PX         2.28547  -0.32609   0.31948  -1.57445  -0.99434
  23        3PY        -1.30505  -3.00603   1.50407  -0.12029   0.26406
  24        3PZ        -0.00016   0.00019  -0.00023   0.00016  -0.00004
  25        4XX         0.05701   0.00180   0.01978  -0.07023  -0.07713
  26        4YY        -0.01865  -0.04937   0.07112   0.08273   0.01690
  27        4ZZ        -0.01457   0.03730  -0.03197  -0.02725  -0.03540
  28        4XY         0.00740   0.06497  -0.13323  -0.03894  -0.03983
  29        4XZ         0.00002  -0.00002   0.00000  -0.00002   0.00001
  30        4YZ        -0.00008   0.00002  -0.00001   0.00003   0.00000
  31 3   C  1S         -0.00060   0.04075   0.02026  -0.00552  -0.00756
  32        2S          0.04675  -0.14920   0.24721   0.23227  -0.95948
  33        2PX        -0.40424   0.09957  -0.04901   0.35628  -0.28498
  34        2PY        -0.21521  -0.65397  -0.54514   0.10110  -0.30015
  35        2PZ         0.00014  -0.00008  -0.00005  -0.00007  -0.00001
  36        3S         -1.85431  -0.68392  -1.24692  -0.17524   2.81451
  37        3PX         2.28544  -0.32607  -0.31939  -1.57445   0.99435
  38        3PY         1.30496   3.00605   1.50407   0.12030   0.26407
  39        3PZ        -0.00027   0.00012   0.00018   0.00021   0.00002
  40        4XX        -0.05701  -0.00180   0.01978   0.07023  -0.07712
  41        4YY         0.01865   0.04937   0.07112  -0.08273   0.01690
  42        4ZZ         0.01457  -0.03730  -0.03197   0.02725  -0.03540
  43        4XY         0.00740   0.06497   0.13323  -0.03894   0.03983
  44        4XZ        -0.00002   0.00001   0.00000   0.00003   0.00001
  45        4YZ        -0.00008   0.00002   0.00001   0.00003   0.00000
  46 4   C  1S         -0.01425   0.00301   0.00519  -0.01334   0.00092
  47        2S          0.18260  -0.15366   0.20288   0.13490  -0.23543
  48        2PX         0.53273   0.08203   0.16564   0.45023  -0.22590
  49        2PY         0.23557  -0.18208  -0.36169   0.06030   0.27523
  50        2PZ         0.00005   0.00007   0.00016   0.00031  -0.00006
  51        3S          0.21134   1.33979  -0.10983   0.05199   0.15420
  52        3PX        -2.31577  -1.04348  -1.01603  -1.06398   0.67172
  53        3PY        -0.96170   1.01400   1.58288   0.30015  -1.19610
  54        3PZ        -0.00030  -0.00018  -0.00041  -0.00072   0.00022
  55        4XX        -0.00522   0.03370   0.01954  -0.13666   0.03286
  56        4YY         0.02933  -0.00393   0.03323   0.08558  -0.04661
  57        4ZZ        -0.00245  -0.00969  -0.00260   0.05385  -0.01374
  58        4XY         0.00866  -0.06151  -0.04352  -0.03565   0.04978
  59        4XZ        -0.00008   0.00003   0.00001  -0.00001   0.00004
  60        4YZ         0.00003   0.00002  -0.00001   0.00001   0.00003
  61 5   H  1S          0.16895  -0.06788   0.04655   0.34009   0.09822
  62        2S         -1.42564  -0.29902   0.46767  -1.24060  -0.48844
  63        3PX        -0.07348   0.00978   0.01270  -0.05848  -0.02207
  64        3PY        -0.00261   0.00097   0.01607   0.01914   0.01257
  65        3PZ        -0.00004   0.00002   0.00001   0.00000  -0.00002
  66 6   H  1S         -0.05771  -0.40929   0.35975   0.15650   0.23787
  67        2S          1.05785   1.73706  -1.07602  -0.73233  -1.20316
  68        3PX         0.00662   0.05895  -0.01793  -0.03244  -0.02743
  69        3PY        -0.03649  -0.06367   0.05672   0.02820   0.06842
  70        3PZ        -0.00003   0.00001  -0.00001   0.00002  -0.00001
  71 7   H  1S          0.05770   0.40929   0.35975  -0.15651   0.23788
  72        2S         -1.05778  -1.73707  -1.07604   0.73233  -1.20317
  73        3PX         0.00662   0.05895   0.01794  -0.03244   0.02743
  74        3PY         0.03649   0.06367   0.05672  -0.02820   0.06842
  75        3PZ        -0.00003   0.00001   0.00001   0.00002   0.00000
  76 8   H  1S         -0.16892   0.06788   0.04655  -0.34009   0.09821
  77        2S          1.42552   0.29906   0.46770   1.24060  -0.48843
  78        3PX        -0.07347   0.00978  -0.01270  -0.05848   0.02207
  79        3PY         0.00261  -0.00097   0.01607  -0.01914   0.01257
  80        3PZ        -0.00004   0.00002  -0.00001   0.00000   0.00003
  81 9   B  1S         -0.02448  -0.02369  -0.01181  -0.04457  -0.01152
  82        2S          0.75038  -0.73148  -0.17818  -0.72159   0.17449
  83        2PX        -0.26360   0.08641  -0.10858   0.19993   0.02164
  84        2PY        -0.04461  -0.04630   0.02031   0.08639   0.16574
  85        2PZ        -0.00002  -0.00011  -0.00013  -0.00008   0.00006
  86        3S         -4.81577   1.88837   1.34245   2.49947  -0.82997
  87        3PX         1.73024  -0.26308   0.80707  -1.22812  -0.52825
  88        3PY        -0.69313   0.41820   0.42965  -0.08838  -0.30689
  89        3PZ        -0.00119   0.00037   0.00093   0.00075  -0.00053
  90        4XX        -0.04806   0.04850   0.01517   0.06224  -0.00047
  91        4YY        -0.02321  -0.05349  -0.07897  -0.16270   0.03197
  92        4ZZ         0.07183  -0.00449   0.02676   0.05423  -0.02729
  93        4XY        -0.03600   0.01505   0.13020   0.04173  -0.07146
  94        4XZ        -0.00005  -0.00016   0.00005  -0.00011  -0.00007
  95        4YZ         0.00008  -0.00004   0.00000  -0.00017  -0.00001
  96 10  B  1S          0.02449   0.02369  -0.01181   0.04457  -0.01152
  97        2S         -0.75037   0.73148  -0.17821   0.72159   0.17449
  98        2PX        -0.26359   0.08641   0.10857   0.19993  -0.02164
  99        2PY         0.04462   0.04630   0.02031  -0.08639   0.16574
 100        2PZ        -0.00002  -0.00010   0.00013  -0.00009  -0.00006
 101        3S          4.81583  -1.88838   1.34261  -2.49946  -0.82999
 102        3PX         1.73023  -0.26308  -0.80701  -1.22813   0.52824
 103        3PY         0.69315  -0.41821   0.42967   0.08838  -0.30689
 104        3PZ        -0.00115   0.00032  -0.00091   0.00073   0.00052
 105        4XX         0.04806  -0.04849   0.01517  -0.06224  -0.00047
 106        4YY         0.02322   0.05349  -0.07897   0.16270   0.03197
 107        4ZZ        -0.07184   0.00449   0.02676  -0.05423  -0.02729
 108        4XY        -0.03600   0.01505  -0.13020   0.04173   0.07146
 109        4XZ         0.00005   0.00016   0.00005   0.00011  -0.00007
 110        4YZ         0.00009  -0.00004   0.00000  -0.00016   0.00000
                          56        57        58        59        60
                           V         V         V         V         V
     Eigenvalues --     0.96179   1.07315   1.08398   1.08593   1.14661
   1 1   C  1S          0.00609   0.00004   0.02247  -0.05035   0.00009
   2        2S          0.15667   0.00132   0.55006  -1.27778   0.00268
   3        2PX        -0.18590  -0.00036  -0.07847   0.06832   0.00167
   4        2PY        -0.50035   0.00050  -0.11455  -0.05116  -0.00045
   5        2PZ         0.00028  -0.05645   0.00020   0.00009  -0.08646
   6        3S          0.51215  -0.01433  -3.10355   4.37770  -0.00049
   7        3PX         1.37919   0.00016   0.11223   0.13295  -0.00954
   8        3PY         2.92637  -0.01138  -0.00192   0.75348   0.00802
   9        3PZ        -0.00129  -0.08773   0.00001  -0.00035  -0.01856
  10        4XX         0.03653   0.00049   0.10003  -0.11342  -0.00040
  11        4YY         0.02041  -0.00052  -0.02715  -0.03677   0.00073
  12        4ZZ        -0.02548   0.00017  -0.01241   0.01177  -0.00013
  13        4XY         0.02906   0.00002   0.02223   0.01278   0.00025
  14        4XZ        -0.00004   0.01659   0.00030  -0.00004   0.18777
  15        4YZ        -0.00036  -0.17579   0.00071  -0.00006  -0.08024
  16 2   C  1S          0.00201   0.00016   0.04212   0.01623  -0.00006
  17        2S          0.14055   0.00255   0.98420   0.43739   0.00117
  18        2PX        -0.43502   0.00160   0.21550  -0.14010   0.00021
  19        2PY        -0.07084   0.00189   0.23147  -0.03038  -0.00189
  20        2PZ        -0.00024  -0.02913   0.00021  -0.00004   0.04886
  21        3S         -0.66371  -0.01699  -4.46374  -2.38559   0.00867
  22        3PX         2.95631  -0.02330  -2.79624   1.23443   0.01135
  23        3PY         1.45828  -0.01464  -1.73681   0.38019   0.00838
  24        3PZ         0.00061   0.06771  -0.00036   0.00038  -0.07171
  25        4XX         0.04097  -0.00029  -0.03014   0.02343   0.00021
  26        4YY        -0.06043   0.00060   0.15673   0.04307   0.00015
  27        4ZZ         0.01744  -0.00006  -0.01899  -0.01729  -0.00011
  28        4XY        -0.03210  -0.00020  -0.04283  -0.09452   0.00035
  29        4XZ         0.00015   0.08930  -0.00028   0.00002   0.07643
  30        4YZ         0.00022   0.06648  -0.00057   0.00004  -0.09171
  31 3   C  1S         -0.00201  -0.00016  -0.04212   0.01622   0.00006
  32        2S         -0.14055  -0.00269  -0.98426   0.43723  -0.00126
  33        2PX        -0.43502   0.00155   0.21548   0.14013   0.00019
  34        2PY         0.07084  -0.00188  -0.23146  -0.03042   0.00188
  35        2PZ        -0.00025  -0.02913   0.00022   0.00004   0.04886
  36        3S          0.66372   0.01773   4.46408  -2.38490  -0.00827
  37        3PX         2.95631  -0.02291  -2.79606  -1.23485   0.01154
  38        3PY        -1.45829   0.01454   1.73677   0.38044  -0.00842
  39        3PZ         0.00066   0.06771  -0.00044  -0.00037  -0.07171
  40        4XX        -0.04097   0.00028   0.03013   0.02344  -0.00022
  41        4YY         0.06043  -0.00061  -0.15673   0.04305  -0.00016
  42        4ZZ        -0.01744   0.00006   0.01900  -0.01728   0.00012
  43        4XY        -0.03210  -0.00023  -0.04285   0.09451   0.00033
  44        4XZ        -0.00015  -0.08930   0.00028  -0.00003  -0.07643
  45        4YZ         0.00022   0.06648  -0.00056  -0.00004  -0.09171
  46 4   C  1S         -0.00608  -0.00002  -0.02246  -0.05035  -0.00009
  47        2S         -0.15667  -0.00087  -0.54987  -1.27786  -0.00251
  48        2PX        -0.18590  -0.00033  -0.07846  -0.06833   0.00167
  49        2PY         0.50035  -0.00049   0.11456  -0.05114   0.00046
  50        2PZ         0.00029  -0.05645   0.00020  -0.00013  -0.08646
  51        3S         -0.51216   0.01280   3.10290   4.37817  -0.00012
  52        3PX         1.37919   0.00018   0.11224  -0.13293  -0.00950
  53        3PY        -2.92637   0.01119   0.00182   0.75348  -0.00813
  54        3PZ        -0.00129  -0.08773   0.00001   0.00031  -0.01856
  55        4XX        -0.03653  -0.00045  -0.10002  -0.11344   0.00042
  56        4YY        -0.02041   0.00054   0.02716  -0.03677  -0.00072
  57        4ZZ         0.02548  -0.00018   0.01241   0.01178   0.00012
  58        4XY         0.02906   0.00003   0.02223  -0.01278   0.00026
  59        4XZ         0.00003  -0.01660  -0.00030  -0.00008  -0.18777
  60        4YZ        -0.00036  -0.17579   0.00071  -0.00001  -0.08024
  61 5   H  1S          0.18504   0.00154   0.22255  -0.24588  -0.00258
  62        2S          0.16670   0.00175   0.23901  -0.60944  -0.00377
  63        3PX         0.00548   0.00004   0.01594  -0.02854   0.00006
  64        3PY         0.01303  -0.00014   0.01674   0.01719   0.00012
  65        3PZ        -0.00006  -0.03536   0.00001  -0.00004  -0.07698
  66 6   H  1S         -0.09429   0.00155   0.34587   0.24045  -0.00081
  67        2S          0.31347   0.00240   0.56163   0.23641  -0.00197
  68        3PX         0.00129  -0.00021  -0.01621   0.02802   0.00024
  69        3PY        -0.02001  -0.00024  -0.03816   0.00121   0.00024
  70        3PZ         0.00006   0.01201  -0.00015   0.00003  -0.04158
  71 7   H  1S          0.09429  -0.00163  -0.34591   0.24040   0.00079
  72        2S         -0.31347  -0.00248  -0.56166   0.23633   0.00189
  73        3PX         0.00129  -0.00020  -0.01621  -0.02803   0.00025
  74        3PY         0.02001   0.00024   0.03816   0.00122  -0.00024
  75        3PZ         0.00006   0.01201  -0.00016  -0.00004  -0.04158
  76 8   H  1S         -0.18504  -0.00145  -0.22251  -0.24591   0.00262
  77        2S         -0.16670  -0.00153  -0.23891  -0.60947   0.00385
  78        3PX         0.00548   0.00003   0.01593   0.02854   0.00006
  79        3PY        -0.01303   0.00014  -0.01674   0.01719  -0.00012
  80        3PZ        -0.00007  -0.03536   0.00001   0.00002  -0.07698
  81 9   B  1S         -0.05987   0.00017   0.01190   0.00482  -0.00007
  82        2S         -0.94734   0.00501   0.61504   0.31158  -0.00302
  83        2PX         0.19877  -0.00053  -0.01531   0.02100   0.00130
  84        2PY         0.29542   0.00075   0.15615   0.03522  -0.00146
  85        2PZ         0.00015   0.10346  -0.00053   0.00006  -0.09571
  86        3S          4.50288  -0.01184  -1.90446  -1.17786  -0.00918
  87        3PX        -4.46781   0.00952  -0.33201  -0.34523  -0.00035
  88        3PY        -1.20044   0.00069  -1.20418  -0.59534  -0.00378
  89        3PZ         0.00172   0.02193  -0.00022  -0.00048   0.06439
  90        4XX         0.03453   0.00033  -0.02134   0.06171  -0.00015
  91        4YY        -0.08901  -0.00003  -0.02030  -0.04938  -0.00056
  92        4ZZ         0.03533  -0.00035   0.01233  -0.00586   0.00057
  93        4XY        -0.05604   0.00015  -0.02070  -0.12785  -0.00049
  94        4XZ         0.00102   0.56112  -0.00257  -0.00006  -0.11748
  95        4YZ        -0.00014   0.05802   0.00056   0.00006   0.57491
  96 10  B  1S          0.05987  -0.00017  -0.01190   0.00482   0.00007
  97        2S          0.94734  -0.00512  -0.61509   0.31150   0.00299
  98        2PX         0.19877  -0.00052  -0.01530  -0.02100   0.00130
  99        2PY        -0.29542  -0.00077  -0.15615   0.03520   0.00146
 100        2PZ         0.00015   0.10346  -0.00053  -0.00003  -0.09571
 101        3S         -4.50287   0.01230   1.90464  -1.17761   0.00933
 102        3PX        -4.46780   0.00936  -0.33206   0.34515  -0.00039
 103        3PY         1.20044  -0.00046   1.20427  -0.59515   0.00386
 104        3PZ         0.00179   0.02193  -0.00019   0.00048   0.06440
 105        4XX        -0.03453  -0.00036   0.02134   0.06171   0.00014
 106        4YY         0.08901   0.00005   0.02031  -0.04938   0.00054
 107        4ZZ        -0.03533   0.00036  -0.01233  -0.00586  -0.00055
 108        4XY        -0.05604   0.00013  -0.02072   0.12784  -0.00050
 109        4XZ        -0.00102  -0.56112   0.00257  -0.00024   0.11748
 110        4YZ        -0.00014   0.05802   0.00056   0.00003   0.57491
                          61        62        63        64        65
                           V         V         V         V         V
     Eigenvalues --     1.15108   1.25184   1.28412   1.30771   1.35520
   1 1   C  1S         -0.00392  -0.04643  -0.00003  -0.03157   0.00007
   2        2S         -0.11706  -1.17218  -0.00119  -0.56945   0.00121
   3        2PX        -0.29193  -0.18062  -0.00039  -0.17002  -0.00013
   4        2PY         0.05968  -0.03907   0.00044  -0.09322   0.00008
   5        2PZ        -0.00042  -0.00014  -0.13143   0.00009   0.08193
   6        3S         -1.04020   3.49464   0.00280   1.88697  -0.00691
   7        3PX         1.41760   0.32063   0.00386   2.47418  -0.00148
   8        3PY        -1.47637   0.07388  -0.00142  -1.03230  -0.00083
   9        3PZ         0.00056   0.00013   0.02507   0.00083   0.01385
  10        4XX         0.06502  -0.06857  -0.00019   0.06600   0.00018
  11        4YY        -0.11361  -0.07958  -0.00016  -0.14199  -0.00002
  12        4ZZ         0.04711   0.05159   0.00029   0.08362  -0.00012
  13        4XY        -0.04846  -0.02286  -0.00003   0.02889  -0.00002
  14        4XZ         0.00104   0.00011   0.27897  -0.00005  -0.27517
  15        4YZ         0.00013  -0.00016  -0.15285   0.00041  -0.20093
  16 2   C  1S         -0.01382   0.01428   0.00000  -0.00139  -0.00003
  17        2S         -0.83653   0.25229   0.00011   0.23413  -0.00104
  18        2PX        -0.08145  -0.09833   0.00022   0.29583  -0.00005
  19        2PY         0.28774   0.14653   0.00017  -0.12877   0.00030
  20        2PZ         0.00026  -0.00003  -0.00288   0.00000  -0.01022
  21        3S          1.12636  -1.13481  -0.00072  -0.04535   0.00357
  22        3PX        -1.37426   0.98620  -0.00083  -1.13672  -0.00101
  23        3PY        -1.35600  -1.34537   0.00072   1.13171  -0.00301
  24        3PZ        -0.00048   0.00018   0.01696  -0.00057  -0.02579
  25        4XX        -0.03893   0.01259   0.00001   0.03991  -0.00003
  26        4YY        -0.08598   0.04182  -0.00019  -0.06437  -0.00001
  27        4ZZ         0.02206  -0.01272   0.00019   0.03221  -0.00001
  28        4XY        -0.03829  -0.09456  -0.00002   0.01904  -0.00004
  29        4XZ        -0.00008   0.00016   0.04225  -0.00006   0.37241
  30        4YZ        -0.00073   0.00003  -0.06422  -0.00018   0.25490
  31 3   C  1S          0.01382  -0.01428   0.00000  -0.00139   0.00003
  32        2S          0.83654  -0.25229   0.00019   0.23412   0.00094
  33        2PX        -0.08146  -0.09833  -0.00021  -0.29583   0.00008
  34        2PY        -0.28774  -0.14653   0.00018  -0.12877  -0.00024
  35        2PZ         0.00027  -0.00001   0.00288   0.00002  -0.01022
  36        3S         -1.12638   1.13481  -0.00089  -0.04532  -0.00362
  37        3PX        -1.37426   0.98620   0.00064   1.13674  -0.00152
  38        3PY         1.35603   1.34536   0.00055   1.13169   0.00253
  39        3PZ        -0.00054   0.00011  -0.01696   0.00053  -0.02579
  40        4XX         0.03893  -0.01259   0.00002   0.03991   0.00002
  41        4YY         0.08598  -0.04182  -0.00017  -0.06437   0.00004
  42        4ZZ        -0.02206   0.01272   0.00018   0.03221  -0.00001
  43        4XY        -0.03829  -0.09456   0.00003  -0.01904  -0.00003
  44        4XZ         0.00008  -0.00016   0.04225  -0.00017  -0.37240
  45        4YZ        -0.00074   0.00008   0.06423   0.00033   0.25490
  46 4   C  1S          0.00392   0.04643  -0.00004  -0.03157  -0.00006
  47        2S          0.11706   1.17219  -0.00133  -0.56944  -0.00102
  48        2PX        -0.29193  -0.18063   0.00039   0.17002  -0.00020
  49        2PY        -0.05969   0.03907   0.00043  -0.09322  -0.00002
  50        2PZ        -0.00044  -0.00012   0.13143  -0.00005   0.08193
  51        3S          1.04022  -3.49464   0.00328   1.88693   0.00625
  52        3PX         1.41759   0.32064  -0.00375  -2.47418  -0.00049
  53        3PY         1.47638  -0.07388  -0.00135  -1.03231   0.00126
  54        3PZ         0.00063   0.00015  -0.02507  -0.00088   0.01385
  55        4XX        -0.06502   0.06857  -0.00022   0.06601  -0.00023
  56        4YY         0.11361   0.07958  -0.00017  -0.14199   0.00008
  57        4ZZ        -0.04711  -0.05159   0.00031   0.08362   0.00009
  58        4XY        -0.04846  -0.02286   0.00002  -0.02889   0.00000
  59        4XZ        -0.00106  -0.00004   0.27898   0.00007   0.27517
  60        4YZ         0.00012  -0.00017   0.15285  -0.00050  -0.20093
  61 5   H  1S          0.46189  -0.28176   0.00085   0.46971   0.00027
  62        2S          0.77394  -0.24648   0.00123   0.78060   0.00037
  63        3PX         0.00158   0.00044   0.00000  -0.03609  -0.00003
  64        3PY        -0.03491   0.00493   0.00001  -0.06422   0.00001
  65        3PZ        -0.00036  -0.00005  -0.13067   0.00004   0.13426
  66 6   H  1S         -0.00487   0.49362  -0.00026  -0.32460   0.00013
  67        2S          0.06547   0.79942  -0.00001  -0.55332   0.00035
  68        3PX        -0.04211  -0.01475  -0.00001  -0.03205  -0.00008
  69        3PY        -0.02508  -0.00875  -0.00003  -0.01892  -0.00003
  70        3PZ        -0.00023  -0.00001  -0.02137  -0.00013   0.01168
  71 7   H  1S          0.00487  -0.49362  -0.00019  -0.32460   0.00001
  72        2S         -0.06547  -0.79942   0.00011  -0.55332  -0.00009
  73        3PX        -0.04211  -0.01475   0.00001   0.03205  -0.00009
  74        3PY         0.02508   0.00875  -0.00003  -0.01892   0.00003
  75        3PZ        -0.00024   0.00001   0.02137   0.00016   0.01168
  76 8   H  1S         -0.46189   0.28176   0.00077   0.46972  -0.00045
  77        2S         -0.77394   0.24648   0.00113   0.78060  -0.00070
  78        3PX         0.00158   0.00044   0.00000   0.03609  -0.00005
  79        3PY         0.03491  -0.00493   0.00001  -0.06422   0.00003
  80        3PZ        -0.00037  -0.00002   0.13067   0.00002   0.13426
  81 9   B  1S          0.00336  -0.03209  -0.00004  -0.02478   0.00005
  82        2S          0.41655  -0.69677   0.00006  -0.30793   0.00126
  83        2PX        -0.20916  -0.11188  -0.00028  -0.27509  -0.00006
  84        2PY         0.24899  -0.06599  -0.00001  -0.33585   0.00012
  85        2PZ        -0.00047  -0.00023   0.11883  -0.00017  -0.06209
  86        3S          1.55625   3.51185  -0.00266  -1.50622  -0.00549
  87        3PX        -0.12131  -0.24057   0.00029  -0.05796   0.00152
  88        3PY         0.49256   1.53274  -0.00140  -0.63696  -0.00162
  89        3PZ         0.00057   0.00078  -0.09363  -0.00014   0.01442
  90        4XX         0.01965  -0.00827  -0.00001  -0.12349  -0.00024
  91        4YY         0.00435  -0.00638  -0.00037  -0.05142  -0.00002
  92        4ZZ         0.00546   0.02257   0.00033   0.23993   0.00012
  93        4XY         0.10920   0.12016   0.00072  -0.19672   0.00006
  94        4XZ        -0.00163  -0.00044  -0.01875   0.00009  -0.17342
  95        4YZ         0.00263   0.00090  -0.53419   0.00050   0.06249
  96 10  B  1S         -0.00336   0.03209  -0.00005  -0.02478  -0.00004
  97        2S         -0.41655   0.69677  -0.00006  -0.30792  -0.00112
  98        2PX        -0.20916  -0.11189   0.00028   0.27509  -0.00017
  99        2PY        -0.24899   0.06599  -0.00004  -0.33585   0.00002
 100        2PZ        -0.00046  -0.00023  -0.11883   0.00013  -0.06208
 101        3S         -1.55625  -3.51185  -0.00235  -1.50625   0.00607
 102        3PX        -0.12131  -0.24058  -0.00032   0.05794   0.00149
 103        3PY        -0.49256  -1.53274  -0.00121  -0.63696   0.00185
 104        3PZ         0.00057   0.00077   0.09363   0.00014   0.01442
 105        4XX        -0.01965   0.00827  -0.00001  -0.12349   0.00030
 106        4YY        -0.00435   0.00637  -0.00040  -0.05142   0.00003
 107        4ZZ        -0.00546  -0.02257   0.00036   0.23993  -0.00022
 108        4XY         0.10920   0.12016  -0.00072   0.19672  -0.00005
 109        4XZ         0.00163   0.00046  -0.01875   0.00017   0.17342
 110        4YZ         0.00259   0.00095   0.53419  -0.00046   0.06248
                          66        67        68        69        70
                           V         V         V         V         V
     Eigenvalues --     1.37609   1.40800   1.42655   1.54364   1.54811
   1 1   C  1S          0.00751  -0.00007   0.00002   0.06801  -0.00951
   2        2S          0.27900  -0.00079   0.00042   0.89070  -0.07754
   3        2PX         0.07063   0.00019   0.00023  -0.08899   0.05500
   4        2PY        -0.21726   0.00011   0.00015  -0.04786  -0.09092
   5        2PZ        -0.00018  -0.01103  -0.03010   0.00004  -0.00008
   6        3S         -0.66483   0.00596  -0.00138  -5.82196   0.34516
   7        3PX        -0.88166   0.00423  -0.00280  -3.59703   0.87629
   8        3PY         0.24745  -0.00070   0.00112   0.58160  -0.09780
   9        3PZ        -0.00016  -0.03468   0.05846  -0.00095   0.00050
  10        4XX         0.08229   0.00003  -0.00024   0.05503  -0.05498
  11        4YY         0.00476  -0.00004   0.00020   0.01988   0.11256
  12        4ZZ        -0.09506   0.00008   0.00002  -0.14171  -0.02190
  13        4XY         0.09138   0.00009  -0.00016  -0.05315   0.11115
  14        4XZ         0.00067  -0.07062   0.24999  -0.00024   0.00013
  15        4YZ        -0.00007  -0.03278   0.31592   0.00001   0.00007
  16 2   C  1S          0.00326   0.00007  -0.00001  -0.04640   0.01058
  17        2S          0.16265   0.00114  -0.00052  -0.71411  -0.06504
  18        2PX         0.04392   0.00008  -0.00044  -0.07658   0.16223
  19        2PY        -0.21310  -0.00005   0.00030   0.06988   0.10215
  20        2PZ        -0.00003   0.11000  -0.06808   0.00022  -0.00003
  21        3S          0.27270  -0.00828   0.00021   5.65508  -0.10587
  22        3PX        -0.23917  -0.00311   0.00197   1.86400  -0.34145
  23        3PY         0.40304   0.00436  -0.00213  -3.30808   0.22751
  24        3PZ        -0.00001  -0.07526  -0.03185  -0.00016  -0.00010
  25        4XX         0.04346  -0.00009  -0.00007   0.03751  -0.01154
  26        4YY         0.08261   0.00001  -0.00005   0.05568   0.02830
  27        4ZZ        -0.13880   0.00004   0.00013  -0.04200  -0.03924
  28        4XY         0.04838   0.00002  -0.00005  -0.03087   0.10355
  29        4XZ        -0.00001  -0.36579  -0.05524  -0.00074  -0.00005
  30        4YZ        -0.00029   0.38390  -0.35900   0.00046  -0.00026
  31 3   C  1S          0.00326  -0.00007   0.00000   0.04640   0.01057
  32        2S          0.16263  -0.00121  -0.00032   0.71409  -0.06523
  33        2PX        -0.04392   0.00013   0.00044  -0.07662  -0.16221
  34        2PY        -0.21310   0.00015   0.00030  -0.06985   0.10217
  35        2PZ         0.00007   0.11000   0.06809   0.00022   0.00003
  36        3S          0.27278   0.00810  -0.00107  -5.65510  -0.10437
  37        3PX         0.23915  -0.00336  -0.00181   1.86409   0.34096
  38        3PY         0.40299  -0.00462  -0.00153   3.30812   0.22661
  39        3PZ        -0.00004  -0.07526   0.03184  -0.00025   0.00010
  40        4XX         0.04345   0.00007  -0.00008  -0.03751  -0.01153
  41        4YY         0.08262  -0.00001  -0.00003  -0.05567   0.02831
  42        4ZZ        -0.13880  -0.00002   0.00011   0.04199  -0.03924
  43        4XY        -0.04838   0.00007   0.00006  -0.03090  -0.10354
  44        4XZ         0.00011   0.36579  -0.05522   0.00074  -0.00005
  45        4YZ         0.00043   0.38388   0.35902   0.00042   0.00025
  46 4   C  1S          0.00751   0.00007   0.00000  -0.06801  -0.00949
  47        2S          0.27902   0.00068   0.00012  -0.89072  -0.07732
  48        2PX        -0.07062   0.00020  -0.00021  -0.08901  -0.05498
  49        2PY        -0.21726   0.00000   0.00016   0.04783  -0.09093
  50        2PZ         0.00018  -0.01103   0.03010   0.00004   0.00008
  51        3S         -0.66492  -0.00575   0.00011   5.82203   0.34365
  52        3PX         0.88169   0.00415   0.00214  -3.59724  -0.87534
  53        3PY         0.24746   0.00072   0.00112  -0.58162  -0.09768
  54        3PZ         0.00018  -0.03468  -0.05846  -0.00103  -0.00053
  55        4XX         0.08229  -0.00008  -0.00024  -0.05505  -0.05497
  56        4YY         0.00476   0.00005   0.00019  -0.01986   0.11256
  57        4ZZ        -0.09506  -0.00006   0.00004   0.14171  -0.02194
  58        4XY        -0.09138   0.00014   0.00016  -0.05318  -0.11113
  59        4XZ         0.00071   0.07061   0.24999   0.00020   0.00013
  60        4YZ         0.00006  -0.03277  -0.31592   0.00005  -0.00007
  61 5   H  1S         -0.23604   0.00064  -0.00052  -0.45884   0.32490
  62        2S         -0.29673   0.00085  -0.00100  -0.67221   0.27214
  63        3PX         0.01451  -0.00008   0.00007   0.07281  -0.06039
  64        3PY        -0.05522   0.00003   0.00009  -0.01695   0.02936
  65        3PZ        -0.00027   0.01307  -0.08502   0.00017  -0.00011
  66 6   H  1S         -0.07337  -0.00051   0.00053   0.29911  -0.01312
  67        2S         -0.36840  -0.00100   0.00114   0.81201  -0.14452
  68        3PX        -0.00626   0.00000   0.00007   0.00056   0.01069
  69        3PY         0.00540  -0.00004   0.00002   0.03408   0.01784
  70        3PZ        -0.00011   0.23854  -0.17602   0.00036  -0.00015
  71 7   H  1S         -0.07337   0.00057   0.00050  -0.29911  -0.01303
  72        2S         -0.36839   0.00121   0.00108  -0.81204  -0.14430
  73        3PX         0.00626  -0.00001  -0.00006   0.00056  -0.01069
  74        3PY         0.00540   0.00005   0.00002  -0.03408   0.01785
  75        3PZ         0.00019   0.23853   0.17604   0.00035   0.00015
  76 8   H  1S         -0.23604  -0.00061  -0.00050   0.45892   0.32479
  77        2S         -0.29673  -0.00084  -0.00093   0.67228   0.27197
  78        3PX        -0.01451  -0.00008  -0.00007   0.07282   0.06037
  79        3PY        -0.05522   0.00001   0.00009   0.01695   0.02936
  80        3PZ         0.00028   0.01307   0.08502   0.00017   0.00011
  81 9   B  1S         -0.01118   0.00002   0.00009   0.01279  -0.02725
  82        2S         -0.35555   0.00058   0.00118   0.16660  -0.52101
  83        2PX         0.10687   0.00020  -0.00004  -0.17349   0.17254
  84        2PY        -0.08584   0.00058   0.00039  -0.39443  -0.17044
  85        2PZ         0.00012  -0.04808  -0.06605  -0.00007  -0.00025
  86        3S          0.92346   0.00473  -0.00042  -6.40471  -0.02395
  87        3PX        -0.29796  -0.00080   0.00051   1.35722  -0.25381
  88        3PY         0.57226   0.00158  -0.00024  -2.16097  -0.14515
  89        3PZ        -0.00018   0.08534  -0.03802  -0.00139   0.00039
  90        4XX        -0.00410   0.00000  -0.00010  -0.02892   0.56113
  91        4YY         0.40836   0.00037  -0.00020  -0.45273  -0.44008
  92        4ZZ        -0.35396  -0.00039   0.00034   0.41962  -0.26358
  93        4XY        -0.41133   0.00007   0.00030   0.06166  -0.08510
  94        4XZ         0.00012  -0.01335   0.23505   0.00056  -0.00025
  95        4YZ        -0.00061   0.18786   0.12550  -0.00069   0.00026
  96 10  B  1S         -0.01118  -0.00002   0.00008  -0.01279  -0.02725
  97        2S         -0.35555  -0.00041   0.00112  -0.16674  -0.52097
  98        2PX        -0.10687   0.00021   0.00004  -0.17353  -0.17249
  99        2PY        -0.08584  -0.00051   0.00044   0.39439  -0.17055
 100        2PZ        -0.00014  -0.04808   0.06605  -0.00008   0.00025
 101        3S          0.92340  -0.00496   0.00089   6.40471  -0.02559
 102        3PX         0.29796  -0.00091  -0.00027   1.35730   0.25344
 103        3PY         0.57223  -0.00174   0.00021   2.16094  -0.14569
 104        3PZ         0.00022   0.08534   0.03803  -0.00136  -0.00039
 105        4XX        -0.00410   0.00002  -0.00009   0.02907   0.56112
 106        4YY         0.40836  -0.00051  -0.00018   0.45261  -0.44020
 107        4ZZ        -0.35396   0.00047   0.00031  -0.41969  -0.26347
 108        4XY         0.41133  -0.00012  -0.00034   0.06170   0.08508
 109        4XZ         0.00016   0.01334   0.23505  -0.00063  -0.00025
 110        4YZ         0.00069   0.18786  -0.12549  -0.00066  -0.00026
                          71        72        73        74        75
                           V         V         V         V         V
     Eigenvalues --     1.64779   1.69761   1.74269   1.84386   1.90218
   1 1   C  1S          0.01375  -0.03227  -0.00006  -0.00293  -0.01468
   2        2S          0.61415  -0.52425  -0.00144   0.40243   0.28317
   3        2PX         0.31020  -0.08439  -0.00049   0.24978   0.19512
   4        2PY        -0.35698   0.12070   0.00040   0.00800   0.06205
   5        2PZ         0.00023  -0.00002   0.04848   0.00003   0.00008
   6        3S         -0.93062   3.57220   0.00299  -0.05199  -0.03397
   7        3PX        -1.35248   2.10540   0.00311  -0.14151  -0.11731
   8        3PY         0.64608   0.01028  -0.00126  -0.01182  -0.26738
   9        3PZ        -0.00053   0.00031  -0.14980   0.00019   0.00041
  10        4XX         0.04430   0.24424  -0.00017  -0.23549   0.13026
  11        4YY        -0.04957  -0.16088   0.00041   0.12007  -0.08833
  12        4ZZ         0.11914  -0.03755  -0.00041   0.23666  -0.02980
  13        4XY         0.09716   0.09485  -0.00008  -0.15224  -0.05803
  14        4XZ        -0.00005  -0.00008  -0.12820  -0.00001   0.00044
  15        4YZ        -0.00014   0.00019   0.15546  -0.00010  -0.00009
  16 2   C  1S         -0.00237   0.04438  -0.00001   0.01335  -0.01306
  17        2S         -0.12919   0.69106  -0.00025   0.03143  -0.17191
  18        2PX        -0.04796  -0.07920   0.00020  -0.19811  -0.01065
  19        2PY         0.10106  -0.22862   0.00005  -0.06164   0.05298
  20        2PZ         0.00005  -0.00001   0.01956   0.00003  -0.00002
  21        3S          0.14123  -4.40662   0.00032  -0.36843   0.47647
  22        3PX         0.47065  -1.34399  -0.00050   0.49047  -0.09752
  23        3PY        -0.83392   3.90082   0.00071   0.19887   0.16028
  24        3PZ         0.00005  -0.00012  -0.10993  -0.00010  -0.00039
  25        4XX        -0.17703  -0.04592   0.00038   0.27667   0.03096
  26        4YY         0.04480   0.10999  -0.00007  -0.45395   0.19751
  27        4ZZ         0.17217  -0.10918  -0.00048   0.17453  -0.31047
  28        4XY         0.08495  -0.01043   0.00000  -0.19697  -0.46201
  29        4XZ         0.00005   0.00019  -0.03195   0.00004  -0.00001
  30        4YZ         0.00037  -0.00010   0.15739   0.00010   0.00022
  31 3   C  1S         -0.00237  -0.04438   0.00000   0.01336  -0.01306
  32        2S         -0.12921  -0.69106  -0.00005   0.03142  -0.17188
  33        2PX         0.04796  -0.07920  -0.00018   0.19811   0.01065
  34        2PY         0.10106   0.22862  -0.00001  -0.06163   0.05297
  35        2PZ        -0.00004  -0.00003  -0.01956  -0.00003  -0.00001
  36        3S          0.14133   4.40663  -0.00111  -0.36845   0.47634
  37        3PX        -0.47068  -1.34400   0.00095  -0.49046   0.09757
  38        3PY        -0.83401  -3.90081   0.00191   0.19889   0.16039
  39        3PZ        -0.00004   0.00006   0.10993   0.00011   0.00020
  40        4XX        -0.17703   0.04593   0.00036   0.27667   0.03097
  41        4YY         0.04480  -0.10999  -0.00004  -0.45394   0.19750
  42        4ZZ         0.17217   0.10918  -0.00051   0.17453  -0.31047
  43        4XY        -0.08494  -0.01042  -0.00001   0.19697   0.46201
  44        4XZ         0.00007  -0.00021  -0.03195   0.00005  -0.00021
  45        4YZ        -0.00033  -0.00011  -0.15739  -0.00009   0.00002
  46 4   C  1S          0.01376   0.03227  -0.00007  -0.00293  -0.01468
  47        2S          0.61416   0.52425  -0.00161   0.40242   0.28315
  48        2PX        -0.31020  -0.08439   0.00050  -0.24978  -0.19511
  49        2PY        -0.35698  -0.12069   0.00042   0.00800   0.06206
  50        2PZ        -0.00024  -0.00004  -0.04848  -0.00004  -0.00003
  51        3S         -0.93073  -3.57219   0.00422  -0.05198  -0.03386
  52        3PX         1.35254   2.10540  -0.00387   0.14149   0.11723
  53        3PY         0.64608  -0.01030  -0.00125  -0.01182  -0.26742
  54        3PZ         0.00056   0.00033   0.14981  -0.00021   0.00009
  55        4XX         0.04430  -0.24424  -0.00010  -0.23549   0.13025
  56        4YY        -0.04956   0.16088   0.00037   0.12008  -0.08833
  57        4ZZ         0.11914   0.03755  -0.00042   0.23665  -0.02979
  58        4XY        -0.09716   0.09485   0.00004   0.15224   0.05804
  59        4XZ        -0.00004   0.00008  -0.12820  -0.00001  -0.00002
  60        4YZ         0.00012   0.00012  -0.15546   0.00010  -0.00017
  61 5   H  1S         -0.19936  -0.08007   0.00062   0.15301  -0.07852
  62        2S         -0.47727   0.53323   0.00085  -0.05566   0.01129
  63        3PX        -0.00361   0.01742  -0.00015  -0.07827   0.03591
  64        3PY        -0.04109  -0.05329   0.00011   0.05448   0.01795
  65        3PZ         0.00008   0.00010   0.14242  -0.00010  -0.00035
  66 6   H  1S          0.21440  -0.55897  -0.00014   0.14406  -0.46215
  67        2S          0.38262  -1.07326  -0.00050   0.00603   0.02170
  68        3PX         0.01582   0.04054  -0.00001  -0.14113   0.01653
  69        3PY         0.02470  -0.05379   0.00002  -0.02981  -0.20308
  70        3PZ         0.00021  -0.00006   0.10103   0.00002   0.00021
  71 7   H  1S          0.21441   0.55897  -0.00030   0.14406  -0.46216
  72        2S          0.38264   1.07325  -0.00082   0.00603   0.02167
  73        3PX        -0.01582   0.04054  -0.00001   0.14113  -0.01652
  74        3PY         0.02471   0.05379   0.00000  -0.02981  -0.20308
  75        3PZ        -0.00020  -0.00008  -0.10103  -0.00003  -0.00007
  76 8   H  1S         -0.19936   0.08007   0.00062   0.15301  -0.07851
  77        2S         -0.47728  -0.53323   0.00103  -0.05565   0.01131
  78        3PX         0.00361   0.01742   0.00016   0.07827  -0.03590
  79        3PY        -0.04109   0.05329   0.00009   0.05447   0.01795
  80        3PZ        -0.00007   0.00008  -0.14242   0.00011  -0.00008
  81 9   B  1S          0.06761   0.03962  -0.00006   0.00092   0.00393
  82        2S          0.42043   0.54624  -0.00032  -0.27654  -0.03633
  83        2PX         0.00793  -0.00769  -0.00043  -0.05200   0.01501
  84        2PY         0.05404   0.09112  -0.00025  -0.16873  -0.06479
  85        2PZ         0.00000   0.00005  -0.12213  -0.00007  -0.00010
  86        3S          0.23191   0.74333  -0.00239   0.21897  -0.19209
  87        3PX         0.01085   0.18409   0.00013  -0.11526  -0.17921
  88        3PY         0.00957   0.27222  -0.00100   0.13567  -0.10004
  89        3PZ        -0.00052   0.00022  -0.36683   0.00013  -0.00022
  90        4XX        -0.04149  -0.00633   0.00047   0.04417   0.11589
  91        4YY        -0.33406  -0.32695   0.00037  -0.01233  -0.24199
  92        4ZZ         0.46527   0.23501  -0.00090  -0.04754   0.08394
  93        4XY        -0.36351   0.40371   0.00029  -0.23228  -0.10542
  94        4XZ         0.00105   0.00012   0.70240   0.00007   0.00003
  95        4YZ        -0.00083   0.00004  -0.31082  -0.00005  -0.00030
  96 10  B  1S          0.06761  -0.03962  -0.00006   0.00092   0.00393
  97        2S          0.42043  -0.54624  -0.00020  -0.27653  -0.03631
  98        2PX        -0.00793  -0.00769   0.00043   0.05199  -0.01502
  99        2PY         0.05404  -0.09113  -0.00021  -0.16873  -0.06478
 100        2PZ        -0.00001   0.00009   0.12213   0.00007  -0.00004
 101        3S          0.23181  -0.74333  -0.00176   0.21893  -0.19205
 102        3PX        -0.01087   0.18409  -0.00004   0.11524   0.17920
 103        3PY         0.00954  -0.27222  -0.00082   0.13566  -0.10002
 104        3PZ         0.00053   0.00028   0.36683  -0.00012   0.00004
 105        4XX        -0.04150   0.00633   0.00047   0.04415   0.11590
 106        4YY        -0.33406   0.32695   0.00031  -0.01233  -0.24201
 107        4ZZ         0.46527  -0.23502  -0.00088  -0.04753   0.08396
 108        4XY         0.36351   0.40371  -0.00042   0.23228   0.10543
 109        4XZ         0.00107   0.00010   0.70240   0.00007   0.00027
 110        4YZ         0.00082   0.00009   0.31082   0.00006  -0.00013
                          76        77        78        79        80
                           V         V         V         V         V
     Eigenvalues --     1.90755   1.92417   1.94261   1.97461   1.98804
   1 1   C  1S         -0.00020  -0.01809  -0.01102   0.01083  -0.00005
   2        2S         -0.00568  -0.44038  -0.31510   0.14287  -0.00034
   3        2PX        -0.00198  -0.13482  -0.11876   0.00491   0.00012
   4        2PY         0.00342   0.33018  -0.02825   0.21483  -0.00063
   5        2PZ         0.05320  -0.00070  -0.00025  -0.00002   0.01129
   6        3S          0.01687   1.63379   0.39803  -0.56747   0.00234
   7        3PX         0.01508   1.35333   0.70812  -0.06572   0.00037
   8        3PY        -0.00904  -0.90714  -0.12211  -0.30953   0.00088
   9        3PZ         0.41566  -0.00358  -0.00103  -0.00155  -0.50352
  10        4XX        -0.00232  -0.21626  -0.03924   0.08730  -0.00005
  11        4YY         0.00223   0.16196   0.28180  -0.26285   0.00068
  12        4ZZ         0.00020   0.07894  -0.22585   0.18339  -0.00061
  13        4XY        -0.00133  -0.23464   0.23942  -0.09943   0.00028
  14        4XZ         0.38368  -0.00380  -0.00116  -0.00099  -0.30785
  15        4YZ        -0.23383   0.00195   0.00030  -0.00016  -0.14971
  16 2   C  1S          0.00014   0.01024   0.01088   0.01805  -0.00005
  17        2S          0.00437   0.50734  -0.22344   0.59366  -0.00169
  18        2PX         0.00111   0.08739   0.11001   0.19015  -0.00055
  19        2PY        -0.00088  -0.15342   0.22650  -0.15387   0.00045
  20        2PZ        -0.01924   0.00024   0.00011   0.00002   0.01774
  21        3S         -0.02255  -2.04808  -0.73448  -0.16332   0.00013
  22        3PX        -0.01075  -0.89902  -0.64791  -0.52969   0.00160
  23        3PY         0.01337   1.41887  -0.18237   0.34046  -0.00072
  24        3PZ        -0.15485   0.00145   0.00049   0.00182   0.67691
  25        4XX         0.00124   0.14568  -0.02660  -0.38992   0.00118
  26        4YY        -0.00173  -0.21618   0.12428   0.02908  -0.00012
  27        4ZZ         0.00063   0.10106  -0.15455   0.47739  -0.00146
  28        4XY         0.00025  -0.03905   0.12458  -0.11310   0.00015
  29        4XZ         0.14701  -0.00154  -0.00065   0.00069   0.29604
  30        4YZ         0.22147  -0.00225  -0.00085  -0.00087  -0.30732
  31 3   C  1S         -0.00013  -0.01024  -0.01088   0.01805  -0.00006
  32        2S         -0.00418  -0.50736   0.22346   0.59365  -0.00173
  33        2PX         0.00111   0.08739   0.11001  -0.19015   0.00056
  34        2PY         0.00081   0.15342  -0.22650  -0.15386   0.00045
  35        2PZ        -0.01924   0.00024   0.00012  -0.00002  -0.01774
  36        3S          0.02198   2.04811   0.73445  -0.16330   0.00048
  37        3PX        -0.01089  -0.89903  -0.64792   0.52969  -0.00173
  38        3PY        -0.01355  -1.41886   0.18239   0.34044  -0.00090
  39        3PZ        -0.15486   0.00147   0.00054  -0.00183  -0.67691
  40        4XX        -0.00125  -0.14568   0.02660  -0.38992   0.00119
  41        4YY         0.00148   0.21619  -0.12429   0.02909  -0.00010
  42        4ZZ        -0.00028  -0.10108   0.15457   0.47738  -0.00147
  43        4XY        -0.00030  -0.03902   0.12459   0.11310  -0.00012
  44        4XZ        -0.14701   0.00153   0.00061   0.00067   0.29604
  45        4YZ         0.22147  -0.00224  -0.00087   0.00089   0.30731
  46 4   C  1S          0.00022   0.01808   0.01102   0.01083  -0.00005
  47        2S          0.00534   0.44040   0.31511   0.14286  -0.00031
  48        2PX        -0.00176  -0.13483  -0.11876  -0.00491  -0.00014
  49        2PY        -0.00351  -0.33018   0.02825   0.21483  -0.00063
  50        2PZ         0.05320  -0.00070  -0.00025   0.00002  -0.01129
  51        3S         -0.01679  -1.63379  -0.39804  -0.56748   0.00225
  52        3PX         0.01492   1.35334   0.70812   0.06572  -0.00023
  53        3PY         0.00936   0.90714   0.12212  -0.30952   0.00086
  54        3PZ         0.41566  -0.00355  -0.00103   0.00157   0.50351
  55        4XX         0.00218   0.21626   0.03924   0.08731  -0.00003
  56        4YY        -0.00211  -0.16196  -0.28180  -0.26284   0.00066
  57        4ZZ        -0.00018  -0.07894   0.22586   0.18338  -0.00062
  58        4XY        -0.00139  -0.23464   0.23942   0.09943  -0.00025
  59        4XZ        -0.38368   0.00383   0.00118  -0.00101  -0.30785
  60        4YZ        -0.23382   0.00194   0.00027   0.00017   0.14971
  61 5   H  1S          0.00277   0.23902   0.18177  -0.06314   0.00012
  62        2S          0.00483   0.42402   0.20076   0.13561  -0.00043
  63        3PX        -0.00049  -0.04579  -0.07699   0.07941  -0.00034
  64        3PY         0.00165   0.18547   0.01990   0.14683  -0.00042
  65        3PZ        -0.36987   0.00363   0.00106   0.00095   0.27872
  66 6   H  1S         -0.00030  -0.05221   0.01129  -0.10930   0.00018
  67        2S         -0.00410  -0.41134  -0.01089  -0.09994   0.00031
  68        3PX        -0.00060  -0.10741   0.14480   0.08316  -0.00028
  69        3PY         0.00020  -0.00725   0.06110   0.00764  -0.00017
  70        3PZ         0.10974  -0.00110  -0.00035  -0.00096  -0.34800
  71 7   H  1S          0.00086   0.05219  -0.01128  -0.10930   0.00019
  72        2S          0.00407   0.41134   0.01089  -0.09994   0.00035
  73        3PX        -0.00057  -0.10741   0.14481  -0.08317   0.00030
  74        3PY         0.00005   0.00724  -0.06110   0.00764  -0.00016
  75        3PZ         0.10974  -0.00110  -0.00039   0.00096   0.34800
  76 8   H  1S         -0.00266  -0.23902  -0.18177  -0.06315   0.00009
  77        2S         -0.00485  -0.42403  -0.20076   0.13561  -0.00048
  78        3PX        -0.00043  -0.04579  -0.07699  -0.07941   0.00033
  79        3PY        -0.00166  -0.18547  -0.01990   0.14683  -0.00041
  80        3PZ        -0.36987   0.00364   0.00106  -0.00097  -0.27872
  81 9   B  1S          0.00093   0.07492   0.04732  -0.04416   0.00015
  82        2S          0.00506   0.47062  -0.03242  -0.29736   0.00115
  83        2PX         0.00392   0.24984   0.61406   0.17652  -0.00051
  84        2PY         0.00218   0.22245   0.05505   0.05247  -0.00016
  85        2PZ        -0.11817   0.00109   0.00004  -0.00017  -0.01678
  86        3S         -0.00506  -0.04413  -0.58893   0.47632  -0.00189
  87        3PX         0.00834   0.56339   0.46017  -0.23514   0.00066
  88        3PY         0.00259   0.24286   0.17588   0.29904  -0.00111
  89        3PZ        -0.14060   0.00134   0.00022  -0.00097  -0.26396
  90        4XX        -0.00311  -0.09881  -0.73830   0.16689  -0.00047
  91        4YY        -0.00183  -0.25337   0.24303   0.08724  -0.00038
  92        4ZZ         0.00597   0.49060   0.38398  -0.30298   0.00089
  93        4XY        -0.00206  -0.20381   0.03198   0.03578  -0.00020
  94        4XZ        -0.19684   0.00202   0.00112   0.00031  -0.01269
  95        4YZ        -0.35367   0.00339   0.00089  -0.00068  -0.19186
  96 10  B  1S         -0.00093  -0.07492  -0.04732  -0.04416   0.00014
  97        2S         -0.00501  -0.47062   0.03242  -0.29736   0.00111
  98        2PX         0.00394   0.24984   0.61406  -0.17652   0.00057
  99        2PY        -0.00210  -0.22246  -0.05505   0.05247  -0.00015
 100        2PZ        -0.11817   0.00108   0.00004   0.00018   0.01678
 101        3S          0.00527   0.04412   0.58896   0.47630  -0.00169
 102        3PX         0.00811   0.56340   0.46017   0.23514  -0.00058
 103        3PY        -0.00249  -0.24287  -0.17587   0.29904  -0.00107
 104        3PZ        -0.14060   0.00131   0.00021   0.00097   0.26396
 105        4XX         0.00298   0.09881   0.73830   0.16689  -0.00040
 106        4YY         0.00211   0.25335  -0.24302   0.08724  -0.00037
 107        4ZZ        -0.00608  -0.49059  -0.38399  -0.30298   0.00084
 108        4XY        -0.00219  -0.20381   0.03198  -0.03578   0.00024
 109        4XZ         0.19683  -0.00206  -0.00113   0.00031  -0.01269
 110        4YZ        -0.35368   0.00339   0.00090   0.00068   0.19186
                          81        82        83        84        85
                           V         V         V         V         V
     Eigenvalues --     2.09862   2.14254   2.19842   2.23894   2.26084
   1 1   C  1S         -0.00003  -0.03477   0.00001   0.01061   0.02257
   2        2S         -0.00060  -0.79022  -0.00101  -0.12536   0.07107
   3        2PX        -0.00023  -0.21596  -0.00086  -0.18032  -0.05377
   4        2PY         0.00010   0.13397  -0.00037  -0.02947   0.23023
   5        2PZ         0.10735  -0.00016  -0.00169   0.00003   0.00004
   6        3S          0.00125   1.80813   0.00060  -0.15027  -0.55624
   7        3PX         0.00145   1.17611   0.00306   0.53085  -0.39030
   8        3PY        -0.00156  -0.77301   0.00258   0.91256   1.59502
   9        3PZ         0.24098   0.00016   0.08714  -0.00072   0.00003
  10        4XX        -0.00020   0.13474  -0.00109  -0.19859   0.07774
  11        4YY         0.00031   0.09159   0.00149   0.15064  -0.36853
  12        4ZZ        -0.00010  -0.31914  -0.00016   0.08027   0.26863
  13        4XY        -0.00015  -0.09434   0.00044   0.17158   0.32088
  14        4XZ         0.12840   0.00009   0.14900  -0.00087  -0.00001
  15        4YZ        -0.41270  -0.00016   0.66404  -0.00289  -0.00003
  16 2   C  1S          0.00000  -0.00817   0.00001   0.00730   0.01907
  17        2S          0.00018  -0.15861   0.00103   0.30318   0.05284
  18        2PX         0.00028   0.00650   0.00127   0.22851  -0.05499
  19        2PY        -0.00001   0.03342   0.00050   0.07213   0.01534
  20        2PZ         0.06646  -0.00002  -0.09187   0.00043   0.00007
  21        3S          0.00055  -0.71744  -0.00583  -1.49386  -1.18298
  22        3PX        -0.00105  -0.75082  -0.00133  -0.21966   0.78774
  23        3PY         0.00030   0.13438   0.00093   0.43895   0.20923
  24        3PZ         0.05393   0.00015  -0.12515   0.00062   0.00009
  25        4XX        -0.00021  -0.01616   0.00132   0.23296   0.04232
  26        4YY         0.00021   0.22899  -0.00084  -0.18217  -0.11701
  27        4ZZ         0.00003  -0.27280  -0.00033  -0.03323   0.07764
  28        4XY        -0.00002   0.00363   0.00114   0.23963  -0.05907
  29        4XZ         0.36235  -0.00002   0.30603  -0.00142   0.00037
  30        4YZ         0.07922  -0.00020   0.29374  -0.00126   0.00018
  31 3   C  1S          0.00000   0.00817  -0.00001  -0.00730   0.01907
  32        2S          0.00019   0.15862  -0.00104  -0.30319   0.05282
  33        2PX        -0.00026   0.00650   0.00129   0.22850   0.05500
  34        2PY        -0.00002  -0.03343  -0.00050  -0.07213   0.01533
  35        2PZ        -0.06646  -0.00003  -0.09187   0.00044  -0.00007
  36        3S          0.00049   0.71745   0.00578   1.49395  -1.18288
  37        3PX         0.00110  -0.75081  -0.00140  -0.21959  -0.78776
  38        3PY         0.00034  -0.13438  -0.00093  -0.43897   0.20921
  39        3PZ        -0.05393   0.00012  -0.12515   0.00065  -0.00010
  40        4XX        -0.00023   0.01615  -0.00130  -0.23297   0.04231
  41        4YY         0.00022  -0.22899   0.00084   0.18219  -0.11700
  42        4ZZ         0.00003   0.27281   0.00031   0.03323   0.07765
  43        4XY         0.00003   0.00363   0.00111   0.23963   0.05909
  44        4XZ         0.36235   0.00004  -0.30603   0.00138   0.00038
  45        4YZ        -0.07922  -0.00016   0.29375  -0.00125  -0.00018
  46 4   C  1S         -0.00004   0.03477  -0.00001  -0.01061   0.02257
  47        2S         -0.00062   0.79023   0.00099   0.12536   0.07108
  48        2PX         0.00023  -0.21597  -0.00085  -0.18032   0.05376
  49        2PY         0.00011  -0.13396   0.00037   0.02945   0.23023
  50        2PZ        -0.10735  -0.00017  -0.00168   0.00003  -0.00004
  51        3S          0.00134  -1.80813  -0.00054   0.15029  -0.55624
  52        3PX        -0.00149   1.17611   0.00307   0.53082   0.39034
  53        3PY        -0.00162   0.77300  -0.00252  -0.91267   1.59497
  54        3PZ        -0.24098   0.00021   0.08714  -0.00072  -0.00001
  55        4XX        -0.00020  -0.13474   0.00110   0.19858   0.07776
  56        4YY         0.00029  -0.09159  -0.00151  -0.15061  -0.36854
  57        4ZZ        -0.00008   0.31914   0.00017  -0.08028   0.26862
  58        4XY         0.00015  -0.09434   0.00041   0.17160  -0.32088
  59        4XZ         0.12840  -0.00011  -0.14900   0.00088  -0.00001
  60        4YZ         0.41271  -0.00014   0.66404  -0.00288   0.00000
  61 5   H  1S          0.00026  -0.02450   0.00106   0.20526  -0.07245
  62        2S          0.00051   0.36221   0.00020  -0.01430  -0.18978
  63        3PX         0.00009   0.10858  -0.00082  -0.17617  -0.06219
  64        3PY         0.00041   0.00572  -0.00155  -0.42209  -0.50814
  65        3PZ        -0.25810   0.00036  -0.02542   0.00013  -0.00026
  66 6   H  1S         -0.00024  -0.15609   0.00095   0.18934   0.12986
  67        2S         -0.00020  -0.03058  -0.00068  -0.20726   0.08071
  68        3PX         0.00023   0.18668   0.00030   0.05112  -0.15360
  69        3PY         0.00008  -0.00826   0.00083   0.16472  -0.10199
  70        3PZ        -0.08337  -0.00002   0.10249  -0.00057  -0.00010
  71 7   H  1S         -0.00026   0.15609  -0.00093  -0.18935   0.12984
  72        2S         -0.00021   0.03058   0.00068   0.20726   0.08072
  73        3PX        -0.00023   0.18667   0.00035   0.05110   0.15361
  74        3PY         0.00007   0.00826  -0.00084  -0.16472  -0.10201
  75        3PZ         0.08337  -0.00001   0.10249  -0.00058   0.00011
  76 8   H  1S          0.00025   0.02451  -0.00107  -0.20525  -0.07246
  77        2S          0.00053  -0.36221  -0.00021   0.01431  -0.18978
  78        3PX        -0.00010   0.10858  -0.00082  -0.17617   0.06218
  79        3PY         0.00042  -0.00571   0.00155   0.42212  -0.50812
  80        3PZ         0.25810   0.00036  -0.02542   0.00013   0.00026
  81 9   B  1S         -0.00002  -0.00312   0.00000  -0.00190  -0.01673
  82        2S         -0.00063   0.22091   0.00022  -0.04579   0.51341
  83        2PX        -0.00049  -0.34126  -0.00121  -0.38753   0.37178
  84        2PY        -0.00048   0.25224  -0.00001  -0.10095   0.44077
  85        2PZ         0.00477   0.00025   0.09163  -0.00027   0.00007
  86        3S         -0.00145   2.59884   0.00476   0.83500   1.27500
  87        3PX        -0.00021  -0.39330  -0.00483  -1.28633   0.46329
  88        3PY        -0.00048   0.93714  -0.00148  -0.54950   0.43400
  89        3PZ         0.16744   0.00064   0.00949   0.00039   0.00063
  90        4XX        -0.00002   0.47102   0.00225   0.54610   0.09890
  91        4YY         0.00006  -0.16749  -0.00169  -0.39115   0.06912
  92        4ZZ         0.00009  -0.16361   0.00022   0.01595  -0.28154
  93        4XY        -0.00010  -0.53901   0.00016  -0.03048   0.32542
  94        4XZ         0.48078  -0.00041   0.15039  -0.00108   0.00072
  95        4YZ         0.38523   0.00039   0.14726  -0.00071   0.00053
  96 10  B  1S         -0.00002   0.00312   0.00000   0.00190  -0.01673
  97        2S         -0.00060  -0.22091  -0.00019   0.04575   0.51341
  98        2PX         0.00053  -0.34126  -0.00121  -0.38750  -0.37182
  99        2PY        -0.00047  -0.25225   0.00002   0.10092   0.44078
 100        2PZ        -0.00477   0.00024   0.09163  -0.00027  -0.00006
 101        3S         -0.00132  -2.59884  -0.00476  -0.83508   1.27492
 102        3PX         0.00021  -0.39330  -0.00485  -1.28629  -0.46337
 103        3PY        -0.00042  -0.93713   0.00147   0.54947   0.43404
 104        3PZ        -0.16744   0.00062   0.00949   0.00042  -0.00061
 105        4XX         0.00003  -0.47102  -0.00226  -0.54611   0.09884
 106        4YY         0.00006   0.16749   0.00169   0.39115   0.06916
 107        4ZZ         0.00004   0.16361  -0.00020  -0.01593  -0.28153
 108        4XY         0.00009  -0.53901   0.00016  -0.03046  -0.32542
 109        4XZ         0.48078   0.00042  -0.15040   0.00108   0.00071
 110        4YZ        -0.38523   0.00039   0.14726  -0.00070  -0.00052
                          86        87        88        89        90
                           V         V         V         V         V
     Eigenvalues --     2.35914   2.40191   2.43289   2.44985   2.48334
   1 1   C  1S         -0.02159   0.00002   0.03612  -0.06526   0.00003
   2        2S         -0.30415   0.00024   0.36699  -0.27103   0.00015
   3        2PX         0.07424  -0.00005  -0.11336   0.25087  -0.00018
   4        2PY        -0.07134   0.00008   0.20749   0.02981  -0.00010
   5        2PZ         0.00007  -0.02992  -0.00005   0.00005  -0.02423
   6        3S          1.25395  -0.00082  -1.81463   1.96782  -0.00060
   7        3PX         0.45166  -0.00033  -1.14093   1.22693  -0.00069
   8        3PY         0.01075   0.00117   1.49899   0.34867  -0.00002
   9        3PZ         0.00017  -0.01516  -0.00060   0.00027  -0.02879
  10        4XX         0.35644  -0.00015  -0.13211   0.25780  -0.00043
  11        4YY        -0.26565  -0.00023  -0.23533   0.27027   0.00003
  12        4ZZ        -0.17000   0.00035   0.30632  -0.57673   0.00049
  13        4XY        -0.08544   0.00019   0.14705   0.02036   0.00002
  14        4XZ         0.00020   0.18083  -0.00022   0.00057   0.37636
  15        4YZ        -0.00014  -0.08495   0.00065  -0.00017  -0.20865
  16 2   C  1S          0.00001  -0.00001  -0.03250   0.03668  -0.00005
  17        2S          0.04569   0.00002  -0.28528   0.10335  -0.00024
  18        2PX        -0.17344   0.00004   0.08351   0.14259   0.00019
  19        2PY        -0.01181  -0.00008  -0.16686   0.20369  -0.00014
  20        2PZ        -0.00001  -0.06528   0.00002   0.00000  -0.02494
  21        3S         -0.62553   0.00052   2.55963  -1.37334   0.00243
  22        3PX         0.49632   0.00111   2.24860   0.23781   0.00120
  23        3PY         0.30873   0.00038  -0.24952   0.67321  -0.00044
  24        3PZ        -0.00001  -0.08258   0.00001  -0.00011  -0.08033
  25        4XX         0.11676   0.00004   0.08025   0.09028   0.00030
  26        4YY        -0.09712  -0.00004   0.13239  -0.40224   0.00016
  27        4ZZ        -0.01217  -0.00005  -0.27706   0.30931  -0.00043
  28        4XY         0.18094  -0.00002  -0.25637  -0.29450   0.00006
  29        4XZ         0.00005   0.15397   0.00001   0.00029   0.13264
  30        4YZ         0.00000  -0.33805   0.00025  -0.00007  -0.28163
  31 3   C  1S          0.00001   0.00000   0.03250   0.03669   0.00002
  32        2S          0.04569  -0.00002   0.28528   0.10336   0.00007
  33        2PX         0.17345   0.00008   0.08351  -0.14258   0.00027
  34        2PY        -0.01181   0.00005   0.16686   0.20369  -0.00016
  35        2PZ         0.00003  -0.06528   0.00001  -0.00001   0.02494
  36        3S         -0.62551  -0.00040  -2.55962  -1.37344  -0.00109
  37        3PX        -0.49632   0.00109   2.24859  -0.23774   0.00146
  38        3PY         0.30872  -0.00044   0.24950   0.67323  -0.00023
  39        3PZ         0.00002  -0.08258   0.00002   0.00008   0.08034
  40        4XX         0.11675  -0.00005  -0.08025   0.09027  -0.00044
  41        4YY        -0.09711   0.00006  -0.13238  -0.40224   0.00036
  42        4ZZ        -0.01216   0.00003   0.27705   0.30932   0.00007
  43        4XY        -0.18094  -0.00010  -0.25638   0.29449  -0.00028
  44        4XZ         0.00009  -0.15398   0.00006   0.00026   0.13264
  45        4YZ         0.00002  -0.33805   0.00027   0.00004   0.28164
  46 4   C  1S         -0.02159  -0.00001  -0.03612  -0.06526   0.00006
  47        2S         -0.30414  -0.00023  -0.36699  -0.27104   0.00002
  48        2PX        -0.07424  -0.00003  -0.11335  -0.25087   0.00030
  49        2PY        -0.07133  -0.00009  -0.20749   0.02981   0.00025
  50        2PZ        -0.00007  -0.02992  -0.00005  -0.00006   0.02423
  51        3S          1.25390   0.00066   1.81460   1.96787  -0.00183
  52        3PX        -0.45163  -0.00019  -1.14091  -1.22696   0.00049
  53        3PY         0.01076  -0.00122  -1.49898   0.34863  -0.00011
  54        3PZ        -0.00019  -0.01516  -0.00064  -0.00030   0.02879
  55        4XX         0.35644   0.00016   0.13211   0.25781  -0.00036
  56        4YY        -0.26566   0.00016   0.23532   0.27026  -0.00048
  57        4ZZ        -0.16999  -0.00030  -0.30631  -0.57673   0.00087
  58        4XY         0.08543   0.00021   0.14704  -0.02036  -0.00027
  59        4XZ         0.00025  -0.18083   0.00027   0.00058   0.37636
  60        4YZ         0.00012  -0.08494   0.00065   0.00018   0.20865
  61 5   H  1S         -0.22411   0.00002  -0.00619  -0.08776   0.00003
  62        2S          0.28852  -0.00019  -0.44067   0.44332  -0.00034
  63        3PX         0.26123  -0.00019  -0.15163   0.16046  -0.00039
  64        3PY         0.19354  -0.00017  -0.28531  -0.27099   0.00018
  65        3PZ         0.00001   0.29653  -0.00007   0.00048   0.49895
  66 6   H  1S          0.13554  -0.00004  -0.13918   0.07345  -0.00013
  67        2S         -0.08728   0.00004   0.44473  -0.15879   0.00031
  68        3PX        -0.46452  -0.00015  -0.08230   0.20905  -0.00021
  69        3PY        -0.11191  -0.00009  -0.34470   0.16303  -0.00021
  70        3PZ         0.00006   0.64203  -0.00022   0.00033   0.43043
  71 7   H  1S          0.13554   0.00004   0.13918   0.07345  -0.00001
  72        2S         -0.08727  -0.00004  -0.44473  -0.15881  -0.00008
  73        3PX         0.46452  -0.00006  -0.08228  -0.20906   0.00004
  74        3PY        -0.11192   0.00009   0.34470   0.16304  -0.00008
  75        3PZ        -0.00014   0.64203  -0.00028  -0.00024  -0.43043
  76 8   H  1S         -0.22411  -0.00004   0.00619  -0.08776   0.00014
  77        2S          0.28851   0.00016   0.44066   0.44333  -0.00017
  78        3PX        -0.26123  -0.00022  -0.15163  -0.16047   0.00029
  79        3PY         0.19354   0.00023   0.28532  -0.27098   0.00010
  80        3PZ        -0.00005   0.29653  -0.00012  -0.00046  -0.49895
  81 9   B  1S         -0.00480   0.00002   0.02968  -0.01556  -0.00003
  82        2S         -0.07333  -0.00051  -0.75328  -0.24678   0.00037
  83        2PX         0.04082  -0.00004  -0.09743  -0.12403   0.00012
  84        2PY        -0.12105  -0.00020  -0.35274  -0.31738   0.00037
  85        2PZ        -0.00006  -0.02573  -0.00019  -0.00007   0.05794
  86        3S         -0.46710  -0.00050  -1.82123  -0.44592   0.00091
  87        3PX        -0.14749  -0.00083  -0.58736   0.03091   0.00009
  88        3PY        -0.23853  -0.00070  -1.05014  -0.25123   0.00040
  89        3PZ        -0.00012   0.00462  -0.00022   0.00003  -0.00836
  90        4XX         0.14861  -0.00005  -0.14725   0.05950   0.00005
  91        4YY        -0.21789   0.00006   0.04424  -0.23547   0.00023
  92        4ZZ         0.02664   0.00019   0.38324   0.05734  -0.00027
  93        4XY         0.00909  -0.00014  -0.44374  -0.09257   0.00044
  94        4XZ         0.00030  -0.02037   0.00018  -0.00003   0.08078
  95        4YZ         0.00008  -0.05514   0.00000   0.00003   0.18529
  96 10  B  1S         -0.00480  -0.00002  -0.02968  -0.01556   0.00005
  97        2S         -0.07334   0.00053   0.75328  -0.24677  -0.00002
  98        2PX        -0.04082  -0.00007  -0.09743   0.12402  -0.00003
  99        2PY        -0.12106   0.00023   0.35275  -0.31738   0.00008
 100        2PZ         0.00006  -0.02573  -0.00018   0.00006  -0.05794
 101        3S         -0.46717   0.00053   1.82124  -0.44587  -0.00014
 102        3PX         0.14747  -0.00081  -0.58736  -0.03092  -0.00012
 103        3PY        -0.23855   0.00072   1.05014  -0.25120   0.00000
 104        3PZ         0.00011   0.00462  -0.00018  -0.00003   0.00836
 105        4XX         0.14859   0.00006   0.14725   0.05950  -0.00012
 106        4YY        -0.21788  -0.00006  -0.04423  -0.23547   0.00013
 107        4ZZ         0.02665  -0.00020  -0.38324   0.05733   0.00022
 108        4XY        -0.00909  -0.00015  -0.44375   0.09256   0.00018
 109        4XZ         0.00030   0.02037  -0.00020  -0.00003   0.08078
 110        4YZ        -0.00008  -0.05514   0.00000  -0.00004  -0.18529
                          91        92        93        94        95
                           V         V         V         V         V
     Eigenvalues --     2.48774   2.50492   2.56415   2.57182   2.64477
   1 1   C  1S         -0.03784  -0.06307   0.00001   0.00002  -0.04962
   2        2S          0.03600  -0.49409   0.00016   0.00050  -0.12825
   3        2PX         0.11393   0.19099  -0.00007  -0.00004  -0.06732
   4        2PY        -0.24887   0.21967  -0.00012  -0.00041   0.24221
   5        2PZ         0.00013  -0.00004   0.02572  -0.01137  -0.00007
   6        3S          1.61301   3.72160  -0.00058  -0.00138   1.52750
   7        3PX         0.09286   1.72000  -0.00045  -0.00109   0.54003
   8        3PY         0.44533   1.67577  -0.00038  -0.00031   0.67198
   9        3PZ         0.00018  -0.00003   0.04761  -0.06017   0.00002
  10        4XX        -0.03760   0.30494  -0.00020  -0.00047  -0.04730
  11        4YY         0.41044  -0.02289   0.00014   0.00022   0.36095
  12        4ZZ        -0.33484  -0.38251   0.00005   0.00031  -0.33851
  13        4XY        -0.15368   0.25313  -0.00014  -0.00006   0.53758
  14        4XZ        -0.00049   0.00054   0.19741   0.53266  -0.00007
  15        4YZ        -0.00039   0.00023   0.46565  -0.09995   0.00002
  16 2   C  1S         -0.05651   0.03801   0.00000  -0.00008   0.05151
  17        2S         -0.20913   0.34512   0.00001  -0.00029   0.01059
  18        2PX         0.41478   0.04909   0.00003   0.00034   0.28306
  19        2PY         0.02802   0.17605  -0.00007  -0.00012   0.15098
  20        2PZ         0.00004  -0.00005   0.03599   0.00023   0.00000
  21        3S          2.74758  -2.12867   0.00040   0.00361  -1.50711
  22        3PX         2.68701   1.86291  -0.00029   0.00126   0.57990
  23        3PY         0.32898   2.83039  -0.00035  -0.00130   0.59245
  24        3PZ         0.00006   0.00012   0.00521   0.04183   0.00002
  25        4XX         0.66196   0.05384  -0.00018   0.00052  -0.23333
  26        4YY        -0.19328  -0.32173   0.00025   0.00003  -0.04856
  27        4ZZ        -0.43520   0.25887  -0.00003  -0.00060   0.34177
  28        4XY        -0.22278  -0.11395   0.00013  -0.00003  -0.24063
  29        4XZ        -0.00020   0.00005   0.68513  -0.05311  -0.00018
  30        4YZ        -0.00022   0.00017   0.30606   0.25502  -0.00011
  31 3   C  1S          0.05651  -0.03801   0.00000   0.00008   0.05151
  32        2S          0.20913  -0.34512   0.00005   0.00030   0.01059
  33        2PX         0.41478   0.04909  -0.00004   0.00034  -0.28306
  34        2PY        -0.02803  -0.17605  -0.00007   0.00013   0.15098
  35        2PZ         0.00001  -0.00005  -0.03599   0.00023   0.00000
  36        3S         -2.74753   2.12865   0.00018  -0.00366  -1.50714
  37        3PX         2.68703   1.86290  -0.00011   0.00124  -0.57990
  38        3PY        -0.32901  -2.83039   0.00005   0.00132   0.59246
  39        3PZ        -0.00004   0.00019  -0.00521   0.04183  -0.00003
  40        4XX        -0.66196  -0.05384  -0.00015  -0.00053  -0.23334
  41        4YY         0.19329   0.32173   0.00019  -0.00002  -0.04856
  42        4ZZ         0.43520  -0.25886   0.00002   0.00060   0.34177
  43        4XY        -0.22278  -0.11394  -0.00005  -0.00002   0.24064
  44        4XZ         0.00005   0.00008   0.68513   0.05312  -0.00017
  45        4YZ        -0.00054   0.00015  -0.30607   0.25501   0.00011
  46 4   C  1S          0.03785   0.06307   0.00000  -0.00002  -0.04962
  47        2S         -0.03599   0.49410   0.00011  -0.00051  -0.12825
  48        2PX         0.11393   0.19099   0.00001  -0.00004   0.06732
  49        2PY         0.24887  -0.21967  -0.00008   0.00041   0.24222
  50        2PZ         0.00011  -0.00003  -0.02572  -0.01137   0.00007
  51        3S         -1.61306  -3.72159  -0.00008   0.00144   1.52750
  52        3PX         0.09289   1.72000   0.00023  -0.00112  -0.54003
  53        3PY        -0.44535  -1.67576  -0.00007   0.00033   0.67200
  54        3PZ         0.00017   0.00001  -0.04761  -0.06017  -0.00003
  55        4XX         0.03759  -0.30494  -0.00015   0.00050  -0.04730
  56        4YY        -0.41044   0.02289   0.00012  -0.00020   0.36095
  57        4ZZ         0.33485   0.38250   0.00001  -0.00035  -0.33851
  58        4XY        -0.15367   0.25312   0.00015  -0.00006  -0.53758
  59        4XZ         0.00003  -0.00046   0.19742  -0.53266  -0.00006
  60        4YZ        -0.00065   0.00019  -0.46565  -0.09996  -0.00004
  61 5   H  1S         -0.11484  -0.14872   0.00002  -0.00001  -0.00479
  62        2S         -0.09643   0.41069  -0.00016  -0.00040  -0.09081
  63        3PX        -0.08733   0.19987  -0.00009  -0.00039  -0.16917
  64        3PY         0.01524  -0.27184   0.00019   0.00034   0.17047
  65        3PZ        -0.00085   0.00058   0.07125   0.57559  -0.00013
  66 6   H  1S         -0.11835  -0.02518  -0.00003  -0.00005   0.05635
  67        2S          0.26048  -0.51945   0.00009   0.00048   0.03651
  68        3PX        -0.20234  -0.39512  -0.00012   0.00004  -0.29523
  69        3PY        -0.16606   0.00047  -0.00010  -0.00021  -0.28445
  70        3PZ        -0.00002  -0.00025   0.00704  -0.27981   0.00005
  71 7   H  1S          0.11835   0.02519  -0.00004   0.00005   0.05635
  72        2S         -0.26048   0.51945   0.00005  -0.00049   0.03651
  73        3PX        -0.20235  -0.39512   0.00016   0.00004   0.29523
  74        3PY         0.16606  -0.00047  -0.00012   0.00021  -0.28446
  75        3PZ         0.00049  -0.00032  -0.00703  -0.27980  -0.00003
  76 8   H  1S          0.11484   0.14872  -0.00001   0.00002  -0.00479
  77        2S          0.09642  -0.41069  -0.00010   0.00040  -0.09081
  78        3PX        -0.08733   0.19987   0.00005  -0.00040   0.16917
  79        3PY        -0.01524   0.27183   0.00011  -0.00035   0.17047
  80        3PZ        -0.00029   0.00049  -0.07126   0.57559   0.00013
  81 9   B  1S         -0.05668   0.03231   0.00000  -0.00007   0.01689
  82        2S          0.24181  -0.30282  -0.00018   0.00020  -0.08816
  83        2PX         0.07663   0.06142   0.00003   0.00003  -0.07300
  84        2PY         0.24806   0.13068  -0.00002   0.00002   0.07126
  85        2PZ         0.00013  -0.00010  -0.01015  -0.06399   0.00006
  86        3S          1.10597   1.43439   0.00004   0.00004  -0.02918
  87        3PX        -0.25488  -0.97138  -0.00012  -0.00004   0.19658
  88        3PY         0.33554   0.25471   0.00005  -0.00025  -0.03341
  89        3PZ         0.00015   0.00052   0.03668   0.01362   0.00010
  90        4XX         0.11213  -0.20963   0.00004   0.00026  -0.07783
  91        4YY         0.11361   0.23757   0.00001  -0.00002   0.27313
  92        4ZZ        -0.36400   0.19340   0.00003  -0.00045   0.08399
  93        4XY         0.45138  -0.29403  -0.00002   0.00074   0.04579
  94        4XZ        -0.00020  -0.00002  -0.22257  -0.03500  -0.00015
  95        4YZ        -0.00005   0.00017  -0.07370  -0.13552   0.00003
  96 10  B  1S          0.05668  -0.03231   0.00001   0.00007   0.01689
  97        2S         -0.24181   0.30282  -0.00028  -0.00020  -0.08817
  98        2PX         0.07663   0.06142  -0.00009   0.00003   0.07301
  99        2PY        -0.24806  -0.13067   0.00001  -0.00002   0.07125
 100        2PZ         0.00019  -0.00012   0.01015  -0.06399  -0.00006
 101        3S         -1.10597  -1.43438   0.00010  -0.00005  -0.02920
 102        3PX        -0.25488  -0.97139   0.00023  -0.00005  -0.19657
 103        3PY        -0.33554  -0.25470   0.00007   0.00025  -0.03342
 104        3PZ         0.00015   0.00052  -0.03668   0.01362  -0.00010
 105        4XX        -0.11213   0.20963  -0.00006  -0.00026  -0.07783
 106        4YY        -0.11362  -0.23756   0.00011   0.00002   0.27313
 107        4ZZ         0.36400  -0.19340   0.00011   0.00044   0.08400
 108        4XY         0.45138  -0.29403   0.00009   0.00074  -0.04577
 109        4XZ         0.00012  -0.00002  -0.22258   0.03499  -0.00015
 110        4YZ         0.00015   0.00016   0.07370  -0.13552  -0.00002
                          96        97        98        99       100
                           V         V         V         V         V
     Eigenvalues --     2.69351   2.72154   2.92715   3.01916   3.24709
   1 1   C  1S          0.00000  -0.00405  -0.02526  -0.07794  -0.02331
   2        2S          0.00009  -0.10318  -0.08064  -0.02455  -0.15850
   3        2PX         0.00002  -0.23064   0.02070   0.01122  -0.08208
   4        2PY        -0.00006   0.16530  -0.21490   0.22933  -0.25231
   5        2PZ        -0.02205  -0.00007   0.00003  -0.00001   0.00004
   6        3S         -0.00009   0.41302   1.06232   2.65702   1.56655
   7        3PX         0.00000  -0.18539   0.41561   1.39760   0.50857
   8        3PY        -0.00009   0.53330   0.14775   0.40506   0.22920
   9        3PZ         0.08816  -0.00019   0.00009   0.00009   0.00011
  10        4XX         0.00020   0.00053  -0.21451  -0.01959  -0.14703
  11        4YY         0.00003   0.01874   0.35079   0.35493   0.26772
  12        4ZZ        -0.00022  -0.01445  -0.17606  -0.41796  -0.14121
  13        4XY        -0.00019   0.57750  -0.65156   0.16096  -0.54755
  14        4XZ        -0.40002  -0.00018   0.00007   0.00019   0.00013
  15        4YZ         0.10312   0.00014  -0.00026  -0.00014  -0.00023
  16 2   C  1S          0.00000   0.00220   0.01468   0.12970   0.01429
  17        2S          0.00002  -0.26050   0.22261   0.01694  -0.03592
  18        2PX         0.00001  -0.00902   0.05687  -0.03532  -0.37416
  19        2PY        -0.00004   0.14436  -0.15573  -0.09985  -0.09464
  20        2PZ         0.02881   0.00000  -0.00001   0.00002   0.00001
  21        3S          0.00011   1.00800  -0.84049  -4.22456  -0.55727
  22        3PX        -0.00013   1.15815   0.27459  -0.76771   0.46612
  23        3PY         0.00002   0.42019   0.23924   1.50566   0.91538
  24        3PZ        -0.13470   0.00002  -0.00001   0.00011   0.00001
  25        4XX         0.00001  -0.18537  -0.27310  -0.36600  -0.65118
  26        4YY        -0.00007   0.11471   0.32776  -0.07905   0.55281
  27        4ZZ         0.00005   0.04234   0.08058   0.72843   0.07754
  28        4XY         0.00004   0.09819   0.15124  -0.45970   0.42067
  29        4XZ         0.27184  -0.00004  -0.00019  -0.00002  -0.00002
  30        4YZ        -0.43317  -0.00011  -0.00002  -0.00002  -0.00004
  31 3   C  1S          0.00000  -0.00220   0.01468  -0.12970  -0.01430
  32        2S          0.00001   0.26050   0.22261  -0.01694   0.03597
  33        2PX         0.00000  -0.00902  -0.05687  -0.03532  -0.37414
  34        2PY        -0.00003  -0.14436  -0.15572   0.09985   0.09470
  35        2PZ        -0.02881   0.00001   0.00001   0.00001   0.00001
  36        3S          0.00017  -1.00801  -0.84047   4.22457   0.55731
  37        3PX         0.00010   1.15815  -0.27459  -0.76771   0.46614
  38        3PY        -0.00002  -0.42020   0.23923  -1.50565  -0.91533
  39        3PZ         0.13470   0.00005   0.00000   0.00014   0.00003
  40        4XX         0.00000   0.18537  -0.27310   0.36600   0.65117
  41        4YY        -0.00003  -0.11471   0.32776   0.07905  -0.55276
  42        4ZZ         0.00002  -0.04234   0.08058  -0.72843  -0.07757
  43        4XY        -0.00002   0.09819  -0.15124  -0.45971   0.42072
  44        4XZ         0.27184  -0.00001  -0.00019   0.00003   0.00001
  45        4YZ         0.43317  -0.00006   0.00002  -0.00005  -0.00003
  46 4   C  1S          0.00000   0.00405  -0.02526   0.07794   0.02330
  47        2S          0.00009   0.10317  -0.08064   0.02455   0.15854
  48        2PX         0.00000  -0.23065  -0.02070   0.01122  -0.08205
  49        2PY        -0.00004  -0.16530  -0.21490  -0.22933   0.25232
  50        2PZ         0.02205  -0.00007  -0.00003  -0.00001   0.00004
  51        3S         -0.00015  -0.41301   1.06231  -2.65702  -1.56650
  52        3PX         0.00004  -0.18539  -0.41560   1.39760   0.50858
  53        3PY        -0.00007  -0.53330   0.14775  -0.40507  -0.22920
  54        3PZ        -0.08816  -0.00020  -0.00011   0.00011   0.00012
  55        4XX         0.00022  -0.00053  -0.21451   0.01959   0.14706
  56        4YY         0.00002  -0.01874   0.35078  -0.35493  -0.26774
  57        4ZZ        -0.00023   0.01445  -0.17606   0.41797   0.14119
  58        4XY         0.00018   0.57750   0.65156   0.16095  -0.54755
  59        4XZ        -0.40003   0.00015   0.00008  -0.00020  -0.00014
  60        4YZ        -0.10312   0.00020   0.00028  -0.00015  -0.00024
  61 5   H  1S          0.00001  -0.04078  -0.01359  -0.02273  -0.06952
  62        2S          0.00001  -0.27859   0.03984   0.09574  -0.00228
  63        3PX         0.00007  -0.14732  -0.08033  -0.26160  -0.13365
  64        3PY        -0.00011   0.42083  -0.42679  -0.10375  -0.26066
  65        3PZ        -0.38014  -0.00019   0.00003   0.00002   0.00001
  66 6   H  1S         -0.00002  -0.05146   0.03370   0.06941  -0.06373
  67        2S         -0.00004  -0.03862   0.09087  -0.06534  -0.16726
  68        3PX         0.00005  -0.36416  -0.28749   0.27503  -0.41155
  69        3PY         0.00006  -0.15218  -0.20229  -0.21889  -0.19005
  70        3PZ         0.48901   0.00005  -0.00003  -0.00002  -0.00002
  71 7   H  1S         -0.00001   0.05146   0.03370  -0.06941   0.06366
  72        2S         -0.00003   0.03862   0.09087   0.06534   0.16719
  73        3PX        -0.00004  -0.36416   0.28749   0.27503  -0.41149
  74        3PY         0.00004   0.15217  -0.20229   0.21889   0.19016
  75        3PZ        -0.48900   0.00002   0.00004  -0.00003  -0.00002
  76 8   H  1S          0.00001   0.04078  -0.01359   0.02273   0.06948
  77        2S         -0.00002   0.27859   0.03984  -0.09574   0.00226
  78        3PX        -0.00006  -0.14732   0.08033  -0.26160  -0.13359
  79        3PY        -0.00010  -0.42083  -0.42678   0.10376   0.26067
  80        3PZ         0.38014  -0.00018  -0.00004   0.00001   0.00001
  81 9   B  1S          0.00000  -0.03643  -0.03490  -0.04103   0.02060
  82        2S         -0.00008  -0.06241  -0.03755   0.51034  -0.02838
  83        2PX         0.00002  -0.38208  -0.21712   0.03544   0.16700
  84        2PY        -0.00002  -0.28013  -0.36539   0.16485   0.26207
  85        2PZ        -0.05599   0.00006  -0.00014   0.00011   0.00012
  86        3S          0.00001   0.77181  -0.16062   1.97153   0.62893
  87        3PX        -0.00004  -0.64737  -0.00499  -0.74745  -0.12785
  88        3PY         0.00001  -0.12089  -0.08974   0.36166   0.21977
  89        3PZ         0.04918   0.00026   0.00000   0.00055   0.00014
  90        4XX         0.00003   0.36450  -0.11364   0.02931   0.15387
  91        4YY        -0.00002  -0.48305  -0.31956  -0.24322   0.25560
  92        4ZZ        -0.00003  -0.11946  -0.05874  -0.26719   0.01450
  93        4XY        -0.00002  -0.17964  -0.21949   0.14557   0.28350
  94        4XZ        -0.04633  -0.00028  -0.00009  -0.00015   0.00001
  95        4YZ        -0.13487  -0.00007  -0.00018   0.00007   0.00008
  96 10  B  1S          0.00000   0.03643  -0.03491   0.04103  -0.02060
  97        2S         -0.00008   0.06240  -0.03754  -0.51034   0.02841
  98        2PX         0.00000  -0.38208   0.21712   0.03544   0.16700
  99        2PY        -0.00004   0.28012  -0.36539  -0.16485  -0.26208
 100        2PZ         0.05599   0.00007   0.00013   0.00011   0.00011
 101        3S          0.00000  -0.77181  -0.16061  -1.97153  -0.62892
 102        3PX         0.00006  -0.64737   0.00499  -0.74745  -0.12785
 103        3PY        -0.00001   0.12089  -0.08973  -0.36167  -0.21977
 104        3PZ        -0.04918   0.00026  -0.00001   0.00054   0.00014
 105        4XX         0.00003  -0.36450  -0.11364  -0.02931  -0.15388
 106        4YY        -0.00004   0.48305  -0.31957   0.24322  -0.25563
 107        4ZZ        -0.00002   0.11946  -0.05875   0.26719  -0.01452
 108        4XY         0.00005  -0.17964   0.21949   0.14557   0.28350
 109        4XZ        -0.04633   0.00030  -0.00009   0.00015   0.00000
 110        4YZ         0.13487  -0.00006   0.00017   0.00006   0.00007
                         101       102       103       104       105
                           V         V         V         V         V
     Eigenvalues --     3.25946   3.33783   3.44973   3.45133   3.59103
   1 1   C  1S         -0.03351   0.05302   0.04804  -0.06647   0.05569
   2        2S          0.23027  -0.38934  -0.21041   0.35981  -0.17255
   3        2PX        -0.21058   0.34937   0.34381  -0.30636   0.00160
   4        2PY         0.06223  -0.12558  -0.10026  -0.09332   0.14321
   5        2PZ        -0.00008   0.00015   0.00010  -0.00008  -0.00002
   6        3S          0.35894  -0.50454  -0.49828   0.70310  -0.79520
   7        3PX        -0.03631   0.24105   0.29657  -0.05323  -0.42647
   8        3PY         0.07453  -0.04397  -0.18614  -0.14041   0.68017
   9        3PZ        -0.00004   0.00006   0.00020   0.00006  -0.00034
  10        4XX         0.25672  -0.43518  -0.29714   0.44896  -0.09822
  11        4YY        -0.13742   0.35956   0.40507  -0.34575   0.01523
  12        4ZZ        -0.19334   0.28986   0.25547  -0.38004   0.27749
  13        4XY        -0.06680   0.15483   0.15909  -0.24671   0.11447
  14        4XZ         0.00019  -0.00031  -0.00020   0.00035  -0.00011
  15        4YZ        -0.00004  -0.00001   0.00003  -0.00008   0.00019
  16 2   C  1S         -0.03503   0.04037  -0.00034   0.03188  -0.02863
  17        2S          0.36928  -0.30289   0.04675  -0.20108   0.00848
  18        2PX        -0.17536   0.22823   0.03437   0.01854  -0.07252
  19        2PY         0.42629  -0.26572   0.15893  -0.20941   0.04260
  20        2PZ        -0.00004   0.00004   0.00000   0.00001  -0.00002
  21        3S          0.21976  -0.21736   0.22665  -0.26100   1.10444
  22        3PX        -0.11698   0.13631  -0.23404   0.05188   0.89073
  23        3PY         0.37404  -0.32741   0.18921  -0.10123  -0.13589
  24        3PZ        -0.00002   0.00000  -0.00012  -0.00004   0.00006
  25        4XX        -0.12444   0.13276  -0.06463   0.19535  -0.11332
  26        4YY         0.34197  -0.21583   0.11967  -0.19671   0.09430
  27        4ZZ        -0.22182   0.23847  -0.03583   0.16976  -0.11752
  28        4XY        -0.39648   0.37354  -0.16540   0.23217  -0.07104
  29        4XZ         0.00004  -0.00004   0.00004  -0.00001  -0.00001
  30        4YZ        -0.00007   0.00002  -0.00005   0.00010  -0.00003
  31 3   C  1S         -0.03503  -0.04037  -0.00034   0.03188   0.02863
  32        2S          0.36927   0.30289   0.04675  -0.20108  -0.00848
  33        2PX         0.17542   0.22823  -0.03437  -0.01854  -0.07252
  34        2PY         0.42628   0.26573   0.15892  -0.20941  -0.04260
  35        2PZ         0.00002   0.00003  -0.00001   0.00000  -0.00002
  36        3S          0.21968   0.21736   0.22665  -0.26101  -1.10444
  37        3PX         0.11692   0.13631   0.23403  -0.05187   0.89073
  38        3PY         0.37417   0.32742   0.18922  -0.10123   0.13589
  39        3PZ         0.00001  -0.00002   0.00012   0.00005   0.00007
  40        4XX        -0.12453  -0.13276  -0.06463   0.19535   0.11332
  41        4YY         0.34204   0.21583   0.11967  -0.19670  -0.09430
  42        4ZZ        -0.22181  -0.23847  -0.03582   0.16976   0.11752
  43        4XY         0.39642   0.37355   0.16539  -0.23217  -0.07104
  44        4XZ         0.00002   0.00002   0.00003   0.00000   0.00001
  45        4YZ         0.00003  -0.00002   0.00004  -0.00009  -0.00002
  46 4   C  1S         -0.03351  -0.05302   0.04804  -0.06647  -0.05569
  47        2S          0.23025   0.38934  -0.21042   0.35982   0.17255
  48        2PX         0.21059   0.34937  -0.34381   0.30636   0.00159
  49        2PY         0.06220   0.12558  -0.10026  -0.09332  -0.14321
  50        2PZ         0.00008   0.00016  -0.00011   0.00010  -0.00002
  51        3S          0.35915   0.50454  -0.49828   0.70312   0.79519
  52        3PX         0.03624   0.24104  -0.29657   0.05322  -0.42648
  53        3PY         0.07456   0.04396  -0.18613  -0.14042  -0.68017
  54        3PZ         0.00005   0.00008  -0.00021  -0.00006  -0.00036
  55        4XX         0.25670   0.43518  -0.29714   0.44896   0.09822
  56        4YY        -0.13738  -0.35955   0.40507  -0.34575  -0.01522
  57        4ZZ        -0.19335  -0.28986   0.25547  -0.38004  -0.27748
  58        4XY         0.06687   0.15483  -0.15909   0.24672   0.11447
  59        4XZ         0.00021   0.00035  -0.00022   0.00039   0.00012
  60        4YZ         0.00004   0.00000  -0.00004   0.00009   0.00021
  61 5   H  1S         -0.26592   0.45324   0.37073  -0.43330   0.08754
  62        2S         -0.18834   0.36275   0.32671  -0.25766  -0.10634
  63        3PX        -0.45623   0.71110   0.49322  -0.63351   0.17284
  64        3PY         0.03895  -0.05852  -0.00489   0.13768  -0.12107
  65        3PZ        -0.00013   0.00022   0.00015  -0.00022   0.00011
  66 6   H  1S         -0.50296   0.39199  -0.18672   0.24621  -0.07271
  67        2S         -0.45991   0.36843  -0.19330   0.20512   0.05726
  68        3PX        -0.41400   0.20763  -0.12207   0.22646  -0.12237
  69        3PY         0.76875  -0.59753   0.18723  -0.31050   0.08276
  70        3PZ        -0.00007   0.00007   0.00002   0.00002  -0.00001
  71 7   H  1S         -0.50297  -0.39200  -0.18672   0.24621   0.07271
  72        2S         -0.45993  -0.36843  -0.19330   0.20512  -0.05726
  73        3PX         0.41406   0.20763   0.12207  -0.22646  -0.12237
  74        3PY         0.76872   0.59754   0.18722  -0.31050  -0.08276
  75        3PZ         0.00004   0.00005  -0.00003   0.00000  -0.00001
  76 8   H  1S         -0.26593  -0.45323   0.37073  -0.43330  -0.08753
  77        2S         -0.18833  -0.36274   0.32671  -0.25766   0.10634
  78        3PX         0.45625   0.71110  -0.49322   0.63351   0.17283
  79        3PY         0.03892   0.05852  -0.00489   0.13768   0.12106
  80        3PZ         0.00014   0.00024  -0.00017   0.00025   0.00012
  81 9   B  1S         -0.02438   0.02561  -0.28003  -0.20648  -0.34191
  82        2S          0.14066  -0.11098   2.32357   1.71082   2.53961
  83        2PX         0.00059  -0.04043  -0.12939  -0.05192   0.25393
  84        2PY        -0.01623  -0.02763  -0.07999  -0.16679  -0.21953
  85        2PZ         0.00000   0.00006   0.00000  -0.00004  -0.00028
  86        3S          0.06680  -0.01564   0.21491  -0.11274   0.62521
  87        3PX        -0.02691  -0.08243   0.00341  -0.14536  -0.81958
  88        3PY         0.03248  -0.09281   0.06813  -0.08012  -0.36794
  89        3PZ        -0.00002   0.00000   0.00011  -0.00003   0.00022
  90        4XX        -0.05793   0.25111  -1.21788  -0.78736  -1.84197
  91        4YY        -0.12388  -0.03872  -1.12140  -1.05295  -1.52361
  92        4ZZ        -0.08541   0.10611  -1.18513  -0.84227  -1.33183
  93        4XY        -0.01529   0.12998  -0.08327  -0.05942  -0.19676
  94        4XZ         0.00001  -0.00005  -0.00014  -0.00001   0.00021
  95        4YZ         0.00000  -0.00006  -0.00003  -0.00004  -0.00005
  96 10  B  1S         -0.02438  -0.02561  -0.28003  -0.20648   0.34191
  97        2S          0.14066   0.11099   2.32358   1.71080  -2.53960
  98        2PX        -0.00062  -0.04043   0.12939   0.05192   0.25394
  99        2PY        -0.01620   0.02763  -0.07999  -0.16679   0.21953
 100        2PZ         0.00000   0.00005   0.00000   0.00004  -0.00027
 101        3S          0.06688   0.01564   0.21492  -0.11274  -0.62521
 102        3PX         0.02693  -0.08243  -0.00340   0.14534  -0.81958
 103        3PY         0.03251   0.09281   0.06813  -0.08011   0.36794
 104        3PZ         0.00002   0.00001  -0.00011   0.00003   0.00023
 105        4XX        -0.05791  -0.25111  -1.21789  -0.78735   1.84196
 106        4YY        -0.12384   0.03872  -1.12141  -1.05294   1.52361
 107        4ZZ        -0.08541  -0.10612  -1.18514  -0.84226   1.33183
 108        4XY         0.01525   0.12998   0.08328   0.05941  -0.19676
 109        4XZ         0.00001   0.00006  -0.00014  -0.00001  -0.00021
 110        4YZ         0.00001  -0.00006   0.00003   0.00003  -0.00004
                         106       107       108       109       110
                           V         V         V         V         V
     Eigenvalues --     3.73987   4.16673   4.34735   4.45176   4.70752
   1 1   C  1S          0.05268  -0.13653   0.24915  -0.31469  -0.26614
   2        2S         -0.10528   0.78030  -1.21745   1.81858   1.35069
   3        2PX         0.35224   0.09240  -0.05559   0.01774  -0.03692
   4        2PY         0.03017   0.10114  -0.11366  -0.00355  -0.02010
   5        2PZ         0.00015   0.00002   0.00002   0.00003  -0.00003
   6        3S         -0.88147   0.44442  -1.45226   1.57624   2.37935
   7        3PX         0.08909   0.08197  -0.44633   0.40778   0.80230
   8        3PY        -0.03806  -0.13731   0.39903  -0.05781  -0.14471
   9        3PZ         0.00001   0.00006  -0.00022   0.00005   0.00020
  10        4XX        -0.48716  -0.55390   1.06469  -1.54670  -1.29271
  11        4YY         0.60119  -0.41613   0.79029  -1.30939  -1.17002
  12        4ZZ         0.25246  -0.50289   0.89718  -1.12309  -0.89320
  13        4XY         0.23544   0.13227  -0.14391   0.04682  -0.01812
  14        4XZ        -0.00024  -0.00003   0.00010  -0.00016  -0.00013
  15        4YZ        -0.00004   0.00001  -0.00005   0.00003   0.00005
  16 2   C  1S         -0.03406  -0.30978   0.24898   0.12789   0.22384
  17        2S          0.12885   1.96639  -1.50442  -0.80269  -1.31444
  18        2PX        -0.22344   0.12695   0.15459  -0.11422   0.04384
  19        2PY         0.32410  -0.07029   0.08600  -0.07125  -0.02468
  20        2PZ         0.00001   0.00002   0.00001   0.00000  -0.00004
  21        3S          0.36878   0.69573  -0.81395  -0.68110  -2.21198
  22        3PX        -0.32174  -0.00172  -0.04849   0.02744  -0.39319
  23        3PY         0.27036  -0.08690   0.09377   0.23236   0.74820
  24        3PZ        -0.00006  -0.00003  -0.00003   0.00000   0.00006
  25        4XX        -0.46232  -1.12032   1.22574   0.52432   1.19976
  26        4YY         0.39221  -1.31873   1.01888   0.70682   1.14224
  27        4ZZ        -0.19701  -1.17924   0.92037   0.48012   0.76871
  28        4XY        -0.71131   0.08554  -0.12150   0.06155   0.07626
  29        4XZ         0.00002  -0.00001  -0.00002   0.00002   0.00002
  30        4YZ        -0.00007   0.00002   0.00001  -0.00002  -0.00004
  31 3   C  1S          0.03405  -0.30978  -0.24898   0.12789  -0.22384
  32        2S         -0.12884   1.96639   1.50443  -0.80268   1.31444
  33        2PX        -0.22343  -0.12695   0.15459   0.11422   0.04384
  34        2PY        -0.32410  -0.07029  -0.08600  -0.07125   0.02468
  35        2PZ         0.00002  -0.00001   0.00001   0.00000  -0.00004
  36        3S         -0.36878   0.69572   0.81396  -0.68109   2.21198
  37        3PX        -0.32174   0.00172  -0.04849  -0.02743  -0.39319
  38        3PY        -0.27036  -0.08690  -0.09378   0.23236  -0.74820
  39        3PZ        -0.00005   0.00003  -0.00003   0.00000   0.00007
  40        4XX         0.46231  -1.12032  -1.22575   0.52431  -1.19976
  41        4YY        -0.39221  -1.31873  -1.01889   0.70681  -1.14224
  42        4ZZ         0.19701  -1.17923  -0.92037   0.48011  -0.76871
  43        4XY        -0.71131  -0.08554  -0.12150  -0.06155   0.07626
  44        4XZ         0.00001  -0.00001   0.00003   0.00002  -0.00002
  45        4YZ        -0.00004  -0.00001   0.00002   0.00001  -0.00003
  46 4   C  1S         -0.05268  -0.13653  -0.24915  -0.31469   0.26614
  47        2S          0.10528   0.78029   1.21744   1.81858  -1.35069
  48        2PX         0.35224  -0.09240  -0.05559  -0.01774  -0.03692
  49        2PY        -0.03017   0.10114   0.11366  -0.00355   0.02010
  50        2PZ         0.00016  -0.00002   0.00002  -0.00004  -0.00003
  51        3S          0.88147   0.44442   1.45225   1.57625  -2.37935
  52        3PX         0.08909  -0.08197  -0.44633  -0.40778   0.80230
  53        3PY         0.03806  -0.13731  -0.39903  -0.05781   0.14470
  54        3PZ         0.00001  -0.00007  -0.00024  -0.00006   0.00022
  55        4XX         0.48716  -0.55390  -1.06468  -1.54671   1.29272
  56        4YY        -0.60119  -0.41612  -0.79028  -1.30939   1.17002
  57        4ZZ        -0.25246  -0.50289  -0.89717  -1.12310   0.89321
  58        4XY         0.23544  -0.13227  -0.14391  -0.04683  -0.01812
  59        4XZ         0.00026  -0.00004  -0.00011  -0.00018   0.00014
  60        4YZ        -0.00004  -0.00002  -0.00006  -0.00003   0.00005
  61 5   H  1S          0.43506   0.12005  -0.22844   0.31244   0.25034
  62        2S          0.23498  -0.03808  -0.02922  -0.04111   0.05517
  63        3PX         0.49621   0.10361  -0.21425   0.32446   0.26546
  64        3PY        -0.08447  -0.00501   0.00695  -0.03995  -0.03336
  65        3PZ         0.00020   0.00003  -0.00005   0.00012   0.00010
  66 6   H  1S         -0.51912   0.23867  -0.20113  -0.11265  -0.20913
  67        2S         -0.36054  -0.13241   0.08293  -0.00165  -0.08376
  68        3PX        -0.24627   0.08642  -0.09556  -0.05697  -0.11127
  69        3PY         0.57050  -0.19031   0.19268   0.11136   0.20120
  70        3PZ        -0.00006   0.00003  -0.00002  -0.00001  -0.00004
  71 7   H  1S          0.51912   0.23867   0.20113  -0.11265   0.20913
  72        2S          0.36054  -0.13241  -0.08293  -0.00165   0.08376
  73        3PX        -0.24627  -0.08642  -0.09556   0.05697  -0.11127
  74        3PY        -0.57050  -0.19031  -0.19268   0.11136  -0.20120
  75        3PZ        -0.00003  -0.00002  -0.00001   0.00000  -0.00002
  76 8   H  1S         -0.43506   0.12005   0.22844   0.31244  -0.25034
  77        2S         -0.23498  -0.03808   0.02923  -0.04111  -0.05517
  78        3PX         0.49621  -0.10360  -0.21425  -0.32446   0.26546
  79        3PY         0.08447  -0.00501  -0.00695  -0.03995   0.03336
  80        3PZ         0.00022  -0.00004  -0.00006  -0.00013   0.00011
  81 9   B  1S          0.07459   0.00026   0.01177  -0.00314  -0.00889
  82        2S         -0.53588   0.21236  -0.03514  -0.05955   0.18630
  83        2PX        -0.10607   0.01312   0.08214   0.06792  -0.05315
  84        2PY        -0.04638   0.06008   0.07505   0.15763  -0.09657
  85        2PZ         0.00012   0.00002   0.00000   0.00005  -0.00005
  86        3S         -0.42564  -0.40351  -1.41498  -0.51830   1.41920
  87        3PX        -0.07473  -0.03160  -0.05293  -0.10502  -0.01741
  88        3PY        -0.28388  -0.21094  -0.71387  -0.22304   0.64130
  89        3PZ        -0.00007  -0.00004  -0.00026  -0.00017   0.00031
  90        4XX         0.64765  -0.04439   0.03854   0.06077  -0.14978
  91        4YY         0.15731  -0.02444   0.16553   0.21798  -0.26228
  92        4ZZ         0.28503  -0.00719   0.05132   0.00627  -0.04823
  93        4XY         0.17722   0.05433   0.07958   0.11188  -0.12042
  94        4XZ        -0.00011   0.00003   0.00004   0.00012  -0.00004
  95        4YZ        -0.00010   0.00004  -0.00004   0.00010   0.00002
  96 10  B  1S         -0.07459   0.00026  -0.01177  -0.00314   0.00889
  97        2S          0.53587   0.21236   0.03514  -0.05955  -0.18630
  98        2PX        -0.10607  -0.01312   0.08214  -0.06792  -0.05315
  99        2PY         0.04638   0.06009  -0.07505   0.15763   0.09657
 100        2PZ         0.00012  -0.00002   0.00000  -0.00004  -0.00005
 101        3S          0.42563  -0.40351   1.41498  -0.51830  -1.41920
 102        3PX        -0.07472   0.03160  -0.05293   0.10501  -0.01741
 103        3PY         0.28388  -0.21093   0.71387  -0.22304  -0.64130
 104        3PZ        -0.00006   0.00004  -0.00024   0.00016   0.00029
 105        4XX        -0.64765  -0.04439  -0.03853   0.06077   0.14978
 106        4YY        -0.15730  -0.02444  -0.16553   0.21798   0.26228
 107        4ZZ        -0.28502  -0.00719  -0.05132   0.00628   0.04823
 108        4XY         0.17722  -0.05433   0.07958  -0.11188  -0.12042
 109        4XZ         0.00012   0.00003  -0.00004   0.00011   0.00004
 110        4YZ        -0.00009  -0.00004  -0.00004  -0.00010   0.00003
     Density Matrix:
                           1         2         3         4         5
   1 1   C  1S          2.05417
   2        2S         -0.06250   0.32499
   3        2PX        -0.00318   0.01046   0.40805
   4        2PY         0.00336  -0.00413  -0.02134   0.40838
   5        2PZ         0.00001  -0.00002   0.00001   0.00003   0.34702
   6        3S         -0.16641   0.24678  -0.00666   0.03367   0.00001
   7        3PX         0.01041  -0.03888   0.08548   0.04627  -0.00003
   8        3PY         0.00219   0.00274   0.01334   0.12861   0.00002
   9        3PZ         0.00001  -0.00003  -0.00005   0.00007   0.23886
  10        4XX        -0.01682  -0.00162  -0.00923   0.00560  -0.00001
  11        4YY        -0.01576  -0.00495   0.00923  -0.00370   0.00000
  12        4ZZ        -0.01112  -0.01529   0.00139  -0.00353   0.00001
  13        4XY         0.00018  -0.00083   0.00582   0.01457   0.00000
  14        4XZ         0.00000   0.00001  -0.00001   0.00000   0.00925
  15        4YZ         0.00000   0.00000   0.00000   0.00000   0.00014
  16 2   C  1S          0.01524  -0.02847  -0.04251  -0.06068  -0.00001
  17        2S         -0.02847   0.04831   0.08265   0.13054   0.00003
  18        2PX         0.04263  -0.08932  -0.09709  -0.14495  -0.00002
  19        2PY         0.06132  -0.12583  -0.14429  -0.19214  -0.00002
  20        2PZ         0.00000   0.00001  -0.00004   0.00001   0.18502
  21        3S         -0.00813   0.03728   0.11344   0.05929   0.00006
  22        3PX         0.00154  -0.00426   0.01546  -0.08624  -0.00001
  23        3PY         0.01556  -0.04504  -0.05508  -0.02729  -0.00002
  24        3PZ         0.00000   0.00001  -0.00003   0.00000   0.11950
  25        4XX        -0.00045  -0.00049  -0.01237   0.00187   0.00000
  26        4YY        -0.00426   0.00710   0.01185  -0.00871   0.00000
  27        4ZZ         0.00215  -0.00441  -0.00463  -0.00467   0.00000
  28        4XY        -0.00587   0.01109   0.00266   0.00961   0.00000
  29        4XZ         0.00000   0.00000   0.00000   0.00000  -0.00915
  30        4YZ         0.00000   0.00000   0.00000   0.00000  -0.01172
  31 3   C  1S         -0.00401   0.00937   0.01629   0.00418  -0.00001
  32        2S          0.00867  -0.01888  -0.03685  -0.01573   0.00001
  33        2PX        -0.01420   0.03651   0.04731   0.02977   0.00001
  34        2PY        -0.00973   0.02092   0.02529   0.00517  -0.00002
  35        2PZ         0.00000   0.00003   0.00001  -0.00005  -0.04700
  36        3S          0.00955  -0.03079  -0.09964   0.05089   0.00003
  37        3PX        -0.00723   0.02043   0.05176  -0.00914   0.00001
  38        3PY        -0.00164   0.00971   0.00047  -0.03190  -0.00001
  39        3PZ         0.00000   0.00002   0.00001  -0.00004  -0.05417
  40        4XX         0.00000  -0.00010   0.00210   0.00280   0.00000
  41        4YY        -0.00093   0.00233   0.00278  -0.00020   0.00000
  42        4ZZ        -0.00023   0.00070   0.00039  -0.00054   0.00000
  43        4XY        -0.00200   0.00398   0.00577   0.00699   0.00000
  44        4XZ         0.00000   0.00000   0.00000   0.00000  -0.00957
  45        4YZ         0.00000   0.00000   0.00000   0.00000   0.00207
  46 4   C  1S         -0.00145   0.00065   0.00434   0.00738   0.00000
  47        2S          0.00065  -0.00074  -0.00792  -0.01467   0.00000
  48        2PX        -0.00434   0.00792   0.02073   0.01229   0.00002
  49        2PY         0.00738  -0.01467  -0.01229   0.00348   0.00003
  50        2PZ         0.00000   0.00000   0.00002  -0.00002  -0.11429
  51        3S          0.01637  -0.01511  -0.02760  -0.04703   0.00003
  52        3PX        -0.00885   0.01153   0.00762   0.01404   0.00003
  53        3PY        -0.00006  -0.00314  -0.00440  -0.00004   0.00001
  54        3PZ         0.00000   0.00001   0.00003  -0.00002  -0.09640
  55        4XX         0.00030  -0.00139  -0.00080  -0.00080  -0.00001
  56        4YY        -0.00059   0.00102   0.00045   0.00122   0.00000
  57        4ZZ        -0.00051   0.00043   0.00031   0.00053   0.00000
  58        4XY        -0.00026   0.00055   0.00182   0.00073   0.00000
  59        4XZ         0.00000   0.00000   0.00000   0.00000   0.00032
  60        4YZ         0.00000   0.00000   0.00000   0.00000  -0.00289
  61 5   H  1S         -0.06342   0.12025  -0.25727   0.05044  -0.00009
  62        2S         -0.01533   0.03002  -0.24784   0.06980  -0.00007
  63        3PX        -0.00609   0.01036  -0.00886   0.00238  -0.00001
  64        3PY         0.00119  -0.00220   0.00165   0.00835   0.00000
  65        3PZ         0.00000   0.00000  -0.00001   0.00000   0.00927
  66 6   H  1S          0.01168  -0.02719  -0.00321  -0.04403  -0.00001
  67        2S          0.01238  -0.02498   0.00560  -0.10140  -0.00003
  68        3PX         0.00083  -0.00174  -0.00183  -0.00295   0.00000
  69        3PY         0.00036  -0.00074  -0.00136  -0.00400   0.00000
  70        3PZ         0.00000   0.00000   0.00000   0.00000   0.00432
  71 7   H  1S         -0.01001   0.02262   0.02713   0.02072  -0.00001
  72        2S         -0.01347   0.02888   0.04921   0.04360  -0.00003
  73        3PX        -0.00030   0.00057   0.00067   0.00153   0.00000
  74        3PY         0.00000  -0.00012   0.00001  -0.00039   0.00000
  75        3PZ         0.00000   0.00000   0.00000   0.00000  -0.00177
  76 8   H  1S          0.00017  -0.00075   0.00596   0.00034  -0.00002
  77        2S          0.00368  -0.00765   0.00218   0.00478  -0.00003
  78        3PX         0.00002  -0.00016  -0.00027   0.00003   0.00000
  79        3PY         0.00021  -0.00037  -0.00015   0.00035   0.00000
  80        3PZ         0.00000   0.00000   0.00000   0.00000  -0.00351
  81 9   B  1S         -0.00572   0.01445   0.01238  -0.02212   0.00002
  82        2S          0.00919  -0.02270  -0.01885   0.04131  -0.00003
  83        2PX        -0.01226   0.03145   0.00951  -0.02456   0.00010
  84        2PY        -0.00920   0.02076   0.02938  -0.04357  -0.00005
  85        2PZ         0.00001  -0.00003  -0.00003   0.00005   0.02262
  86        3S          0.00042  -0.02355  -0.06852   0.03720   0.00004
  87        3PX        -0.00656   0.01575   0.03160   0.01216   0.00001
  88        3PY        -0.01330   0.01771   0.02164  -0.02377  -0.00004
  89        3PZ         0.00000  -0.00001  -0.00002   0.00001   0.00712
  90        4XX        -0.00062   0.00070   0.00267  -0.00197  -0.00001
  91        4YY         0.00010  -0.00005  -0.00081  -0.00023   0.00000
  92        4ZZ         0.00017  -0.00011  -0.00044   0.00095   0.00000
  93        4XY         0.00064  -0.00126  -0.00323   0.00184   0.00001
  94        4XZ         0.00000   0.00000   0.00000  -0.00001  -0.01087
  95        4YZ         0.00000   0.00000   0.00000   0.00000  -0.00349
  96 10  B  1S          0.02373  -0.04609  -0.04232   0.09713  -0.00006
  97        2S         -0.04171   0.07395   0.07548  -0.17490   0.00011
  98        2PX         0.05070  -0.10432  -0.04577   0.20968  -0.00010
  99        2PY        -0.05566   0.11258   0.14612  -0.12635  -0.00004
 100        2PZ         0.00002  -0.00005  -0.00009   0.00013   0.22481
 101        3S          0.00161   0.03203   0.08654  -0.15520   0.00014
 102        3PX         0.00124  -0.00662   0.01842   0.08269  -0.00006
 103        3PY         0.00497   0.01288   0.03891  -0.02797  -0.00009
 104        3PZ         0.00000  -0.00002  -0.00007   0.00006   0.13777
 105        4XX         0.00019  -0.00123  -0.01003  -0.00154   0.00000
 106        4YY        -0.00621   0.01136   0.01438   0.00194   0.00001
 107        4ZZ         0.00257  -0.00529  -0.00398   0.00486  -0.00001
 108        4XY         0.00515  -0.00927   0.00185   0.00928  -0.00001
 109        4XZ         0.00000   0.00001   0.00000  -0.00001  -0.00669
 110        4YZ         0.00000  -0.00001  -0.00001   0.00001   0.01368
                           6         7         8         9        10
   6        3S          0.21040
   7        3PX        -0.02527   0.03203
   8        3PY         0.01618   0.01781   0.04415
   9        3PZ         0.00001  -0.00002   0.00003   0.16567
  10        4XX         0.00096  -0.00045   0.00081   0.00000   0.00079
  11        4YY        -0.00436   0.00172  -0.00083   0.00000  -0.00037
  12        4ZZ        -0.01099   0.00161  -0.00102   0.00000   0.00006
  13        4XY        -0.00008   0.00307   0.00448   0.00000   0.00012
  14        4XZ         0.00000   0.00000   0.00000   0.00613   0.00000
  15        4YZ        -0.00001   0.00000   0.00000  -0.00010   0.00000
  16 2   C  1S         -0.00447  -0.01039  -0.00827  -0.00001  -0.00091
  17        2S          0.02233   0.03072   0.02675   0.00003   0.00077
  18        2PX        -0.07237  -0.01382  -0.06726   0.00000   0.01000
  19        2PY        -0.12558  -0.04621  -0.07013  -0.00002  -0.00512
  20        2PZ        -0.00011  -0.00011   0.00003   0.11869   0.00000
  21        3S          0.00555   0.02748   0.00769   0.00004  -0.00083
  22        3PX        -0.00690  -0.00272  -0.03013  -0.00001   0.00143
  23        3PY        -0.03588  -0.01069  -0.01161  -0.00001  -0.00090
  24        3PZ        -0.00008  -0.00008   0.00002   0.07741   0.00000
  25        4XX         0.00065  -0.00211  -0.00015   0.00000   0.00061
  26        4YY         0.00413   0.00008  -0.00148  -0.00001  -0.00076
  27        4ZZ        -0.00249  -0.00122  -0.00087   0.00000   0.00000
  28        4XY         0.01196   0.00081   0.00397   0.00000   0.00018
  29        4XZ         0.00000   0.00000   0.00000  -0.00697   0.00000
  30        4YZ         0.00000   0.00000   0.00000  -0.00801   0.00000
  31 3   C  1S          0.00487  -0.00025   0.00287  -0.00001  -0.00201
  32        2S         -0.01890  -0.00668  -0.00857   0.00002   0.00416
  33        2PX         0.03292  -0.00658   0.03827  -0.00001  -0.00889
  34        2PY         0.07386   0.01364   0.01846  -0.00001  -0.00168
  35        2PZ        -0.00013  -0.00008   0.00000  -0.04993   0.00000
  36        3S         -0.01558  -0.00938   0.01024   0.00005   0.00625
  37        3PX         0.01443   0.00265   0.00730   0.00000  -0.00334
  38        3PY         0.02014  -0.00289  -0.00533  -0.00001  -0.00103
  39        3PZ        -0.00010  -0.00006   0.00000  -0.04881   0.00000
  40        4XX        -0.00098   0.00097  -0.00012   0.00000   0.00014
  41        4YY         0.00277   0.00007   0.00128   0.00000  -0.00039
  42        4ZZ         0.00072  -0.00017  -0.00003   0.00000  -0.00018
  43        4XY         0.00653   0.00258   0.00303   0.00000   0.00019
  44        4XZ         0.00000   0.00000   0.00000  -0.00663   0.00000
  45        4YZ         0.00000   0.00000   0.00000   0.00202   0.00000
  46 4   C  1S          0.01637   0.00885  -0.00006   0.00000   0.00030
  47        2S         -0.01511  -0.01153  -0.00314  -0.00001  -0.00139
  48        2PX         0.02760   0.00762   0.00440   0.00003   0.00080
  49        2PY        -0.04703  -0.01404  -0.00004   0.00002  -0.00080
  50        2PZ        -0.00003   0.00002  -0.00001  -0.09640   0.00001
  51        3S         -0.03308  -0.01774  -0.01627   0.00001  -0.00186
  52        3PX         0.01774   0.00137   0.00638   0.00002  -0.00028
  53        3PY        -0.01627  -0.00638   0.00031   0.00001  -0.00116
  54        3PZ        -0.00001   0.00002  -0.00001  -0.07798   0.00000
  55        4XX        -0.00186   0.00028  -0.00116   0.00000   0.00030
  56        4YY         0.00202   0.00016   0.00118   0.00000  -0.00011
  57        4ZZ         0.00100   0.00034   0.00018   0.00000   0.00000
  58        4XY         0.00219   0.00100   0.00054   0.00000  -0.00007
  59        4XZ         0.00000   0.00000   0.00000   0.00083   0.00000
  60        4YZ        -0.00001   0.00000   0.00000  -0.00230   0.00000
  61 5   H  1S          0.10760  -0.06351   0.00362  -0.00002   0.00698
  62        2S          0.03858  -0.04539   0.00728  -0.00001   0.00814
  63        3PX         0.00853  -0.00300   0.00043   0.00000   0.00020
  64        3PY        -0.00101   0.00169   0.00274   0.00000   0.00006
  65        3PZ         0.00000   0.00000   0.00000   0.00641   0.00000
  66 6   H  1S         -0.04927  -0.01050  -0.01862  -0.00002  -0.00632
  67        2S         -0.05041  -0.01654  -0.03291  -0.00004  -0.00697
  68        3PX        -0.00198  -0.00045  -0.00148   0.00000   0.00002
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 109        4XZ         0.00001  -0.00001   0.00001   0.00001   0.00873
 110        4YZ         0.00000   0.00000   0.00000  -0.00001   0.00051
                          86        87        88        89        90
  86        3S          0.17785
  87        3PX         0.00651   0.02733
  88        3PY        -0.01591   0.01164   0.01949
  89        3PZ         0.00004  -0.00007   0.00011   0.11211
  90        4XX         0.00524  -0.00070  -0.00303  -0.00001   0.00104
  91        4YY         0.00130  -0.00089   0.00217   0.00000  -0.00038
  92        4ZZ        -0.00402  -0.00055  -0.00025   0.00001   0.00012
  93        4XY         0.00590   0.00193   0.00012   0.00000   0.00010
  94        4XZ        -0.00001   0.00001   0.00000  -0.00076   0.00000
  95        4YZ         0.00000   0.00000   0.00000   0.00476   0.00000
  96 10  B  1S         -0.00666   0.00550   0.01499  -0.00002  -0.00682
  97        2S          0.04788  -0.03058  -0.02358   0.00005   0.01039
  98        2PX         0.11601  -0.02724  -0.05679   0.00003   0.00700
  99        2PY        -0.05582   0.02650   0.03870  -0.00001  -0.00212
 100        2PZ         0.00009  -0.00007   0.00009   0.11461  -0.00001
 101        3S          0.02099  -0.02024  -0.02262  -0.00009   0.00947
 102        3PX         0.02025   0.00425  -0.01346  -0.00006   0.00201
 103        3PY        -0.02262   0.01346   0.01826  -0.00005  -0.00252
 104        3PZ         0.00009  -0.00006   0.00006   0.07511  -0.00001
 105        4XX         0.00947  -0.00201  -0.00252   0.00001   0.00049
 106        4YY        -0.00531   0.00205   0.00175   0.00000  -0.00005
 107        4ZZ        -0.00078   0.00011  -0.00016  -0.00001  -0.00019
 108        4XY         0.00152   0.00046  -0.00018   0.00000  -0.00021
 109        4XZ        -0.00001   0.00000   0.00001   0.00573   0.00000
 110        4YZ         0.00000   0.00000   0.00000  -0.00010   0.00000
                          91        92        93        94        95
  91        4YY         0.00118
  92        4ZZ        -0.00007   0.00043
  93        4XY         0.00013  -0.00025   0.00058
  94        4XZ         0.00000   0.00000   0.00000   0.00045
  95        4YZ         0.00000   0.00000   0.00000   0.00027   0.00056
  96 10  B  1S          0.00148   0.00056   0.00067   0.00001   0.00000
  97        2S         -0.00362  -0.00153  -0.00216  -0.00001   0.00000
  98        2PX        -0.00297  -0.00103   0.00137  -0.00001   0.00000
  99        2PY         0.00221  -0.00065  -0.00131   0.00001   0.00001
 100        2PZ         0.00000   0.00001   0.00000  -0.00873   0.00051
 101        3S         -0.00531  -0.00078  -0.00152  -0.00001   0.00000
 102        3PX        -0.00205  -0.00011   0.00046   0.00000   0.00000
 103        3PY         0.00175  -0.00016   0.00018   0.00001   0.00000
 104        3PZ         0.00000   0.00001   0.00000  -0.00573  -0.00010
 105        4XX        -0.00005  -0.00019   0.00021   0.00000   0.00000
 106        4YY         0.00008   0.00002  -0.00019   0.00000   0.00000
 107        4ZZ         0.00002   0.00009   0.00006   0.00000   0.00000
 108        4XY         0.00019  -0.00006   0.00010   0.00000   0.00000
 109        4XZ         0.00000   0.00000   0.00000   0.00022   0.00038
 110        4YZ         0.00000   0.00000   0.00000  -0.00038  -0.00008
                          96        97        98        99       100
  96 10  B  1S          2.05548
  97        2S         -0.02903   0.24666
  98        2PX        -0.01040   0.00736   0.26438
  99        2PY        -0.02582   0.04797  -0.15699   0.14617
 100        2PZ        -0.00001   0.00003  -0.00002  -0.00009   0.26625
 101        3S         -0.15924   0.19555   0.00287   0.03790  -0.00011
 102        3PX        -0.01039  -0.01133   0.06761  -0.02959  -0.00010
 103        3PY         0.01316  -0.02030  -0.05787   0.04276  -0.00014
 104        3PZ        -0.00003   0.00007   0.00001  -0.00007   0.17188
 105        4XX        -0.02307   0.00608   0.00839  -0.00603   0.00001
 106        4YY        -0.02068   0.00045  -0.00557   0.00891   0.00000
 107        4ZZ        -0.01641  -0.00705   0.00221  -0.00381  -0.00001
 108        4XY         0.00301  -0.00749   0.00641  -0.00425   0.00000
 109        4XZ         0.00000   0.00000  -0.00001   0.00001   0.00103
 110        4YZ         0.00000   0.00000   0.00001  -0.00001   0.00803
                         101       102       103       104       105
 101        3S          0.17785
 102        3PX        -0.00651   0.02733
 103        3PY        -0.01591  -0.01164   0.01949
 104        3PZ        -0.00004  -0.00007  -0.00011   0.11211
 105        4XX         0.00524   0.00070  -0.00303   0.00001   0.00104
 106        4YY         0.00130   0.00089   0.00217   0.00000  -0.00038
 107        4ZZ        -0.00402   0.00055  -0.00025  -0.00001   0.00012
 108        4XY        -0.00590   0.00193  -0.00012   0.00000  -0.00010
 109        4XZ        -0.00001   0.00000   0.00000   0.00076   0.00000
 110        4YZ         0.00000   0.00000   0.00000   0.00476   0.00000
                         106       107       108       109       110
 106        4YY         0.00118
 107        4ZZ        -0.00007   0.00043
 108        4XY        -0.00013   0.00025   0.00058
 109        4XZ         0.00000   0.00000   0.00000   0.00045
 110        4YZ         0.00000   0.00000   0.00000  -0.00027   0.00056
    Full Mulliken population analysis:
                           1         2         3         4         5
   1 1   C  1S          2.05417
   2        2S         -0.01369   0.32499
   3        2PX         0.00000   0.00000   0.40805
   4        2PY         0.00000   0.00000   0.00000   0.40838
   5        2PZ         0.00000   0.00000   0.00000   0.00000   0.34702
   6        3S         -0.03066   0.20045   0.00000   0.00000   0.00000
   7        3PX         0.00000   0.00000   0.04870   0.00000   0.00000
   8        3PY         0.00000   0.00000   0.00000   0.07328   0.00000
   9        3PZ         0.00000   0.00000   0.00000   0.00000   0.13609
  10        4XX        -0.00133  -0.00115   0.00000   0.00000   0.00000
  11        4YY        -0.00125  -0.00351   0.00000   0.00000   0.00000
  12        4ZZ        -0.00088  -0.01086   0.00000   0.00000   0.00000
  13        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
  14        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  16 2   C  1S          0.00000  -0.00036  -0.00075  -0.00141   0.00000
  17        2S         -0.00036   0.00778   0.01174   0.02441   0.00000
  18        2PX        -0.00075   0.01269   0.00515   0.02697   0.00000
  19        2PY        -0.00143   0.02353   0.02685   0.03008   0.00000
  20        2PZ         0.00000   0.00000   0.00000   0.00000   0.01634
  21        3S         -0.00045   0.01194   0.01648   0.01134   0.00000
  22        3PX        -0.00011   0.00138   0.00096   0.01737   0.00000
  23        3PY        -0.00148   0.01921   0.01110   0.00136   0.00000
  24        3PZ         0.00000   0.00000   0.00000   0.00000   0.02573
  25        4XX        -0.00001  -0.00007  -0.00077   0.00040   0.00000
  26        4YY        -0.00009   0.00144   0.00272  -0.00149   0.00000
  27        4ZZ         0.00000  -0.00031  -0.00031  -0.00042   0.00000
  28        4XY        -0.00016   0.00194   0.00027   0.00186   0.00000
  29        4XZ         0.00000   0.00000   0.00000   0.00000   0.00079
  30        4YZ         0.00000   0.00000   0.00000   0.00000   0.00133
  31 3   C  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  32        2S          0.00000  -0.00005  -0.00019  -0.00004   0.00000
  33        2PX         0.00000  -0.00019  -0.00047  -0.00016   0.00000
  34        2PY         0.00000  -0.00006  -0.00014  -0.00001   0.00000
  35        2PZ         0.00000   0.00000   0.00000   0.00000  -0.00005
  36        3S          0.00004  -0.00136  -0.00487   0.00126   0.00000
  37        3PX         0.00011  -0.00240  -0.00545   0.00062   0.00000
  38        3PY         0.00001  -0.00058  -0.00003   0.00020   0.00000
  39        3PZ         0.00000   0.00000   0.00000   0.00000  -0.00151
  40        4XX         0.00000   0.00000   0.00002   0.00001   0.00000
  41        4YY         0.00000   0.00000   0.00001   0.00000   0.00000
  42        4ZZ         0.00000   0.00000   0.00000   0.00000   0.00000
  43        4XY         0.00000   0.00001   0.00004   0.00002   0.00000
  44        4XZ         0.00000   0.00000   0.00000   0.00000   0.00001
  45        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  46 4   C  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  47        2S          0.00000   0.00000   0.00000   0.00000   0.00000
  48        2PX         0.00000   0.00000  -0.00002   0.00000   0.00000
  49        2PY         0.00000   0.00000   0.00000   0.00000   0.00000
  50        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  51        3S          0.00001  -0.00014  -0.00039   0.00000   0.00000
  52        3PX         0.00003  -0.00040  -0.00036   0.00000   0.00000
  53        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  54        3PZ         0.00000   0.00000   0.00000   0.00000  -0.00056
  55        4XX         0.00000   0.00000   0.00000   0.00000   0.00000
  56        4YY         0.00000   0.00000   0.00000   0.00000   0.00000
  57        4ZZ         0.00000   0.00000   0.00000   0.00000   0.00000
  58        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
  59        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  60        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  61 5   H  1S         -0.00213   0.03337   0.09487   0.00289   0.00000
  62        2S         -0.00142   0.01438   0.06511   0.00285   0.00000
  63        3PX        -0.00029   0.00303   0.00312   0.00019   0.00000
  64        3PY        -0.00001   0.00010   0.00013   0.00119   0.00000
  65        3PZ         0.00000   0.00000   0.00000   0.00000   0.00144
  66 6   H  1S          0.00000  -0.00020  -0.00001  -0.00069   0.00000
  67        2S          0.00017  -0.00266   0.00011  -0.01107   0.00000
  68        3PX         0.00000   0.00000   0.00000   0.00001   0.00000
  69        3PY         0.00000   0.00001   0.00000   0.00007   0.00000
  70        3PZ         0.00000   0.00000   0.00000   0.00000   0.00001
  71 7   H  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  72        2S          0.00000   0.00012   0.00024   0.00017   0.00000
  73        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  74        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  75        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  76 8   H  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  77        2S          0.00000   0.00000   0.00000   0.00000   0.00000
  78        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  79        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  80        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  81 9   B  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  82        2S          0.00000  -0.00013  -0.00019  -0.00021   0.00000
  83        2PX         0.00000  -0.00038  -0.00018  -0.00027   0.00000
  84        2PY         0.00000   0.00013   0.00033   0.00014   0.00000
  85        2PZ         0.00000   0.00000   0.00000   0.00000   0.00006
  86        3S          0.00000  -0.00138  -0.00372  -0.00103   0.00000
  87        3PX         0.00014  -0.00233  -0.00337   0.00087   0.00000
  88        3PY        -0.00015   0.00134   0.00156   0.00005   0.00000
  89        3PZ         0.00000   0.00000   0.00000   0.00000   0.00025
  90        4XX         0.00000   0.00000   0.00003   0.00001   0.00000
  91        4YY         0.00000   0.00000   0.00000   0.00000   0.00000
  92        4ZZ         0.00000   0.00000   0.00000   0.00000   0.00000
  93        4XY         0.00000   0.00001   0.00003   0.00001   0.00000
  94        4XZ         0.00000   0.00000   0.00000   0.00000   0.00002
  95        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  96 10  B  1S          0.00000  -0.00088  -0.00098  -0.00344   0.00000
  97        2S         -0.00126   0.01711   0.01141   0.04030   0.00000
  98        2PX        -0.00169   0.01949   0.00039   0.04538   0.00000
  99        2PY        -0.00283   0.03204   0.03163   0.02480   0.00000
 100        2PZ         0.00000   0.00000   0.00000   0.00000   0.03001
 101        3S          0.00010   0.01104   0.00974   0.02662   0.00000
 102        3PX        -0.00008   0.00193   0.00212   0.01236   0.00000
 103        3PY         0.00048   0.00572   0.00581   0.00041   0.00000
 104        3PZ         0.00000   0.00000   0.00000   0.00000   0.02936
 105        4XX         0.00000  -0.00021  -0.00024   0.00036   0.00000
 106        4YY        -0.00030   0.00327   0.00394  -0.00042   0.00000
 107        4ZZ         0.00000  -0.00045  -0.00027  -0.00049   0.00000
 108        4XY        -0.00028   0.00215  -0.00011   0.00227   0.00000
 109        4XZ         0.00000   0.00000   0.00000   0.00000   0.00077
 110        4YZ         0.00000   0.00000   0.00000   0.00000   0.00239
                           6         7         8         9        10
   6        3S          0.21040
   7        3PX         0.00000   0.03203
   8        3PY         0.00000   0.00000   0.04415
   9        3PZ         0.00000   0.00000   0.00000   0.16567
  10        4XX         0.00061   0.00000   0.00000   0.00000   0.00079
  11        4YY        -0.00275   0.00000   0.00000   0.00000  -0.00012
  12        4ZZ        -0.00693   0.00000   0.00000   0.00000   0.00002
  13        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
  14        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  16 2   C  1S         -0.00025  -0.00075  -0.00079   0.00000  -0.00001
  17        2S          0.00715   0.00996   0.01141   0.00000   0.00011
  18        2PX         0.01052  -0.00086   0.01355   0.00000  -0.00062
  19        2PY         0.02402   0.00931   0.00349   0.00000   0.00109
  20        2PZ         0.00000   0.00000   0.00000   0.02556   0.00000
  21        3S          0.00298   0.00996   0.00367   0.00000  -0.00022
  22        3PX         0.00250  -0.00079   0.00969   0.00000  -0.00026
  23        3PY         0.01711   0.00344  -0.00132   0.00000   0.00034
  24        3PZ         0.00000   0.00000   0.00000   0.04155   0.00000
  25        4XX         0.00017  -0.00039  -0.00006   0.00000   0.00004
  26        4YY         0.00119   0.00003  -0.00042   0.00000  -0.00020
  27        4ZZ        -0.00056  -0.00031  -0.00029   0.00000   0.00000
  28        4XY         0.00097  -0.00002   0.00011   0.00000   0.00002
  29        4XZ         0.00000   0.00000   0.00000   0.00064   0.00000
  30        4YZ         0.00000   0.00000   0.00000   0.00097   0.00000
  31 3   C  1S          0.00002   0.00000   0.00002   0.00000   0.00000
  32        2S         -0.00084  -0.00078  -0.00051   0.00000   0.00002
  33        2PX        -0.00161   0.00069  -0.00258   0.00000   0.00008
  34        2PY        -0.00183  -0.00092  -0.00011   0.00000   0.00001
  35        2PZ         0.00000   0.00000   0.00000  -0.00139   0.00000
  36        3S         -0.00225  -0.00237   0.00131   0.00000   0.00033
  37        3PX        -0.00365  -0.00080  -0.00164   0.00000   0.00041
  38        3PY        -0.00258   0.00065  -0.00016   0.00000   0.00008
  39        3PZ         0.00000   0.00000   0.00000  -0.00703   0.00000
  40        4XX        -0.00005   0.00012  -0.00001   0.00000   0.00000
  41        4YY         0.00009   0.00001   0.00004   0.00000   0.00000
  42        4ZZ         0.00002  -0.00001   0.00000   0.00000   0.00000
  43        4XY         0.00016   0.00015   0.00002   0.00000   0.00000
  44        4XZ         0.00000   0.00000   0.00000   0.00018   0.00000
  45        4YZ         0.00000   0.00000   0.00000  -0.00003   0.00000
  46 4   C  1S          0.00001   0.00003   0.00000   0.00000   0.00000
  47        2S         -0.00014  -0.00040   0.00000   0.00000   0.00000
  48        2PX        -0.00039  -0.00036   0.00000   0.00000   0.00000
  49        2PY         0.00000   0.00000   0.00000   0.00000   0.00000
  50        2PZ         0.00000   0.00000   0.00000  -0.00056   0.00000
  51        3S         -0.00172  -0.00224   0.00000   0.00000  -0.00003
  52        3PX        -0.00224  -0.00035   0.00000   0.00000   0.00001
  53        3PY         0.00000   0.00000   0.00002   0.00000   0.00000
  54        3PZ         0.00000   0.00000   0.00000  -0.00406   0.00000
  55        4XX        -0.00003   0.00001   0.00000   0.00000   0.00000
  56        4YY         0.00001   0.00000   0.00000   0.00000   0.00000
  57        4ZZ         0.00000   0.00001   0.00000   0.00000   0.00000
  58        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
  59        4XZ         0.00000   0.00000   0.00000  -0.00001   0.00000
  60        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  61 5   H  1S          0.04083   0.03235   0.00029   0.00000   0.00316
  62        2S          0.02729   0.02609   0.00065   0.00000   0.00351
  63        3PX         0.00146   0.00012   0.00002   0.00000   0.00008
  64        3PY         0.00003   0.00006   0.00055   0.00000  -0.00001
  65        3PZ         0.00000   0.00000   0.00000   0.00132   0.00000
  66 6   H  1S         -0.00353  -0.00035  -0.00351   0.00000  -0.00001
  67        2S         -0.01295  -0.00122  -0.01356   0.00000  -0.00049
  68        3PX         0.00002  -0.00001   0.00004   0.00000   0.00000
  69        3PY        -0.00001   0.00001   0.00013   0.00000   0.00000
  70        3PZ         0.00000   0.00000   0.00000   0.00009   0.00000
  71 7   H  1S          0.00011   0.00006   0.00013   0.00000   0.00000
  72        2S          0.00172   0.00096   0.00147   0.00000  -0.00001
  73        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  74        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  75        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  76 8   H  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  77        2S         -0.00001   0.00007   0.00000   0.00000   0.00000
  78        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  79        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  80        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  81 9   B  1S         -0.00003  -0.00022   0.00008   0.00000   0.00000
  82        2S          0.00045   0.00290  -0.00093   0.00000   0.00003
  83        2PX        -0.00197   0.00202  -0.00028   0.00000   0.00006
  84        2PY         0.00020  -0.00059   0.00009   0.00000  -0.00003
  85        2PZ         0.00000   0.00000   0.00000   0.00027   0.00000
  86        3S          0.00122   0.00167  -0.00139   0.00000   0.00020
  87        3PX        -0.00641  -0.00199   0.00178   0.00000   0.00012
  88        3PY         0.00119  -0.00103  -0.00024   0.00000  -0.00016
  89        3PZ         0.00000   0.00000   0.00000   0.00005   0.00000
  90        4XX         0.00012   0.00019   0.00005   0.00000   0.00000
  91        4YY        -0.00007  -0.00008   0.00001   0.00000   0.00000
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  93        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
  94        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  95        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  96 10  B  1S          0.00000   0.00028   0.00000   0.00000   0.00000
  97        2S         -0.00034  -0.00531   0.00000   0.00002   0.00000
  98        2PX        -0.00032  -0.00759   0.00003   0.00008   0.00000
  99        2PY        -0.00094  -0.00845   0.00000   0.00002   0.00000
 100        2PZ         0.00000   0.00000   0.00000   0.00000   0.00002
 101        3S         -0.00417  -0.01548  -0.00008   0.00008   0.00000
 102        3PX         0.00058  -0.00226   0.00002   0.00013   0.00000
 103        3PY        -0.00294  -0.00867  -0.00004   0.00001   0.00000
 104        3PZ         0.00000   0.00000   0.00000   0.00000   0.00013
 105        4XX         0.00007   0.00075   0.00000   0.00000   0.00000
 106        4YY        -0.00003  -0.00061   0.00000   0.00000   0.00000
 107        4ZZ         0.00000   0.00012   0.00000   0.00000   0.00000
 108        4XY         0.00005   0.00004   0.00000   0.00000   0.00000
 109        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
 110        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
                          66        67        68        69        70
  66 6   H  1S          0.22116
  67        2S          0.12174   0.17476
  68        3PX         0.00000   0.00000   0.00021
  69        3PY         0.00000   0.00000   0.00000   0.00043
  70        3PZ         0.00000   0.00000   0.00000   0.00000   0.00023
  71 7   H  1S         -0.00003  -0.00127   0.00000   0.00000   0.00000
  72        2S         -0.00127  -0.00596  -0.00006   0.00000   0.00000
  73        3PX         0.00000  -0.00006   0.00000   0.00000   0.00000
  74        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  75        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  76 8   H  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  77        2S          0.00000  -0.00017   0.00000   0.00000   0.00000
  78        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  79        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  80        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  81 9   B  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  82        2S          0.00000  -0.00002   0.00000   0.00000   0.00000
  83        2PX         0.00000   0.00003   0.00000   0.00000   0.00000
  84        2PY         0.00000   0.00010   0.00000   0.00000   0.00000
  85        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  86        3S          0.00001  -0.00002   0.00000   0.00000   0.00000
  87        3PX         0.00006   0.00066   0.00000   0.00000   0.00000
  88        3PY         0.00005   0.00060   0.00000   0.00000   0.00000
  89        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  90        4XX         0.00000   0.00000   0.00000   0.00000   0.00000
  91        4YY         0.00000   0.00001   0.00000   0.00000   0.00000
  92        4ZZ         0.00000   0.00000   0.00000   0.00000   0.00000
  93        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
  94        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  95        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  96 10  B  1S          0.00000  -0.00001   0.00000   0.00000   0.00000
  97        2S          0.00000   0.00069   0.00000   0.00000   0.00000
  98        2PX         0.00000   0.00013   0.00000   0.00000   0.00000
  99        2PY         0.00000   0.00034   0.00000   0.00000   0.00000
 100        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
 101        3S          0.00028   0.00328   0.00000   0.00000   0.00000
 102        3PX         0.00012   0.00073   0.00000   0.00000   0.00000
 103        3PY        -0.00001   0.00075   0.00000  -0.00001   0.00000
 104        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
 105        4XX         0.00000   0.00001   0.00000   0.00000   0.00000
 106        4YY         0.00000  -0.00005   0.00000   0.00000   0.00000
 107        4ZZ         0.00000   0.00000   0.00000   0.00000   0.00000
 108        4XY         0.00000   0.00001   0.00000   0.00000   0.00000
 109        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
 110        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
                          71        72        73        74        75
  71 7   H  1S          0.22116
  72        2S          0.12174   0.17476
  73        3PX         0.00000   0.00000   0.00021
  74        3PY         0.00000   0.00000   0.00000   0.00043
  75        3PZ         0.00000   0.00000   0.00000   0.00000   0.00023
  76 8   H  1S         -0.00002  -0.00154   0.00000   0.00000   0.00000
  77        2S         -0.00136  -0.00825  -0.00001  -0.00003   0.00000
  78        3PX         0.00000  -0.00003   0.00000   0.00000   0.00000
  79        3PY         0.00000  -0.00005   0.00000   0.00000   0.00000
  80        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  81 9   B  1S          0.00000  -0.00001   0.00000   0.00000   0.00000
  82        2S          0.00000   0.00069   0.00000   0.00000   0.00000
  83        2PX         0.00000   0.00013   0.00000   0.00000   0.00000
  84        2PY         0.00000   0.00034   0.00000   0.00000   0.00000
  85        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  86        3S          0.00028   0.00328   0.00000   0.00000   0.00000
  87        3PX         0.00012   0.00073   0.00000   0.00000   0.00000
  88        3PY        -0.00001   0.00075   0.00000  -0.00001   0.00000
  89        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  90        4XX         0.00000   0.00001   0.00000   0.00000   0.00000
  91        4YY         0.00000  -0.00005   0.00000   0.00000   0.00000
  92        4ZZ         0.00000   0.00000   0.00000   0.00000   0.00000
  93        4XY         0.00000   0.00001   0.00000   0.00000   0.00000
  94        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  95        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  96 10  B  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  97        2S          0.00000  -0.00002   0.00000   0.00000   0.00000
  98        2PX         0.00000   0.00003   0.00000   0.00000   0.00000
  99        2PY         0.00000   0.00010   0.00000   0.00000   0.00000
 100        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
 101        3S          0.00001  -0.00002   0.00000   0.00000   0.00000
 102        3PX         0.00006   0.00066   0.00000   0.00000   0.00000
 103        3PY         0.00005   0.00060   0.00000   0.00000   0.00000
 104        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
 105        4XX         0.00000   0.00000   0.00000   0.00000   0.00000
 106        4YY         0.00000   0.00001   0.00000   0.00000   0.00000
 107        4ZZ         0.00000   0.00000   0.00000   0.00000   0.00000
 108        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
 109        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
 110        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
                          76        77        78        79        80
  76 8   H  1S          0.21833
  77        2S          0.11893   0.17314
  78        3PX         0.00000   0.00000   0.00056
  79        3PY         0.00000   0.00000   0.00000   0.00020
  80        3PZ         0.00000   0.00000   0.00000   0.00000   0.00025
  81 9   B  1S          0.00000   0.00028   0.00000   0.00000   0.00000
  82        2S         -0.00034  -0.00531   0.00000   0.00002   0.00000
  83        2PX        -0.00032  -0.00759   0.00003   0.00008   0.00000
  84        2PY        -0.00094  -0.00845   0.00000   0.00002   0.00000
  85        2PZ         0.00000   0.00000   0.00000   0.00000   0.00002
  86        3S         -0.00417  -0.01548  -0.00008   0.00008   0.00000
  87        3PX         0.00058  -0.00226   0.00002   0.00013   0.00000
  88        3PY        -0.00294  -0.00867  -0.00004   0.00001   0.00000
  89        3PZ         0.00000   0.00000   0.00000   0.00000   0.00013
  90        4XX         0.00007   0.00075   0.00000   0.00000   0.00000
  91        4YY        -0.00003  -0.00061   0.00000   0.00000   0.00000
  92        4ZZ         0.00000   0.00012   0.00000   0.00000   0.00000
  93        4XY         0.00005   0.00004   0.00000   0.00000   0.00000
  94        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  95        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  96 10  B  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  97        2S          0.00000   0.00012   0.00000   0.00000   0.00000
  98        2PX         0.00000   0.00021   0.00000   0.00000   0.00000
  99        2PY         0.00000  -0.00010   0.00000   0.00000   0.00000
 100        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
 101        3S          0.00013   0.00164   0.00000   0.00000   0.00000
 102        3PX         0.00017   0.00161   0.00000   0.00000   0.00000
 103        3PY        -0.00006  -0.00071   0.00000   0.00000   0.00000
 104        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
 105        4XX         0.00000   0.00000   0.00000   0.00000   0.00000
 106        4YY         0.00000   0.00000   0.00000   0.00000   0.00000
 107        4ZZ         0.00000   0.00000   0.00000   0.00000   0.00000
 108        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
 109        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
 110        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
                          81        82        83        84        85
  81 9   B  1S          2.05548
  82        2S         -0.00647   0.24666
  83        2PX         0.00000   0.00000   0.26438
  84        2PY         0.00000   0.00000   0.00000   0.14617
  85        2PZ         0.00000   0.00000   0.00000   0.00000   0.26625
  86        3S         -0.03164   0.16579   0.00000   0.00000   0.00000
  87        3PX         0.00000   0.00000   0.04217   0.00000   0.00000
  88        3PY         0.00000   0.00000   0.00000   0.02667   0.00000
  89        3PZ         0.00000   0.00000   0.00000   0.00000   0.10719
  90        4XX        -0.00210   0.00439   0.00000   0.00000   0.00000
  91        4YY        -0.00188   0.00033   0.00000   0.00000   0.00000
  92        4ZZ        -0.00149  -0.00510   0.00000   0.00000   0.00000
  93        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
  94        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  95        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  96 10  B  1S          0.00000  -0.00139  -0.00482   0.00000   0.00000
  97        2S         -0.00139   0.01774   0.04452   0.00000   0.00000
  98        2PX        -0.00482   0.04452   0.05666   0.00000   0.00000
  99        2PY         0.00000   0.00000   0.00000   0.01055   0.00000
 100        2PZ         0.00000   0.00000   0.00000   0.00000   0.02559
 101        3S         -0.00046   0.01825   0.03281   0.00000   0.00000
 102        3PX        -0.00076   0.01777   0.00497   0.00000   0.00000
 103        3PY         0.00000   0.00000   0.00000   0.01041   0.00000
 104        3PZ         0.00000   0.00000   0.00000   0.00000   0.03084
 105        4XX        -0.00038   0.00353   0.00298   0.00000   0.00000
 106        4YY         0.00000  -0.00039  -0.00050   0.00000   0.00000
 107        4ZZ         0.00000  -0.00017  -0.00017   0.00000   0.00000
 108        4XY         0.00000   0.00000   0.00000   0.00025   0.00000
 109        4XZ         0.00000   0.00000   0.00000   0.00000   0.00167
 110        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
                          86        87        88        89        90
  86        3S          0.17785
  87        3PX         0.00000   0.02733
  88        3PY         0.00000   0.00000   0.01949
  89        3PZ         0.00000   0.00000   0.00000   0.11211
  90        4XX         0.00330   0.00000   0.00000   0.00000   0.00104
  91        4YY         0.00082   0.00000   0.00000   0.00000  -0.00013
  92        4ZZ        -0.00254   0.00000   0.00000   0.00000   0.00004
  93        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
  94        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
  95        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
  96 10  B  1S         -0.00046  -0.00076   0.00000   0.00000  -0.00038
  97        2S          0.01825   0.01777   0.00000   0.00000   0.00353
  98        2PX         0.03281   0.00497   0.00000   0.00000   0.00298
  99        2PY         0.00000   0.00000   0.01041   0.00000   0.00000
 100        2PZ         0.00000   0.00000   0.00000   0.03084   0.00000
 101        3S          0.01208   0.01225   0.00000   0.00000   0.00332
 102        3PX         0.01225  -0.00026   0.00000   0.00000   0.00085
 103        3PY         0.00000   0.00000   0.01051   0.00000   0.00000
 104        3PZ         0.00000   0.00000   0.00000   0.04323   0.00000
 105        4XX         0.00332   0.00085   0.00000   0.00000   0.00024
 106        4YY        -0.00135  -0.00090   0.00000   0.00000  -0.00001
 107        4ZZ        -0.00020  -0.00005   0.00000   0.00000  -0.00003
 108        4XY         0.00000   0.00000  -0.00003   0.00000   0.00000
 109        4XZ         0.00000   0.00000   0.00000   0.00092   0.00000
 110        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
                          91        92        93        94        95
  91        4YY         0.00118
  92        4ZZ        -0.00002   0.00043
  93        4XY         0.00000   0.00000   0.00058
  94        4XZ         0.00000   0.00000   0.00000   0.00045
  95        4YZ         0.00000   0.00000   0.00000   0.00000   0.00056
  96 10  B  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  97        2S         -0.00039  -0.00017   0.00000   0.00000   0.00000
  98        2PX        -0.00050  -0.00017   0.00000   0.00000   0.00000
  99        2PY         0.00000   0.00000   0.00025   0.00000   0.00000
 100        2PZ         0.00000   0.00000   0.00000   0.00167   0.00000
 101        3S         -0.00135  -0.00020   0.00000   0.00000   0.00000
 102        3PX        -0.00090  -0.00005   0.00000   0.00000   0.00000
 103        3PY         0.00000   0.00000  -0.00003   0.00000   0.00000
 104        3PZ         0.00000   0.00000   0.00000   0.00092   0.00000
 105        4XX        -0.00001  -0.00003   0.00000   0.00000   0.00000
 106        4YY         0.00001   0.00000   0.00000   0.00000   0.00000
 107        4ZZ         0.00000   0.00001   0.00000   0.00000   0.00000
 108        4XY         0.00000   0.00000  -0.00003   0.00000   0.00000
 109        4XZ         0.00000   0.00000   0.00000  -0.00007   0.00000
 110        4YZ         0.00000   0.00000   0.00000   0.00000  -0.00001
                          96        97        98        99       100
  96 10  B  1S          2.05548
  97        2S         -0.00647   0.24666
  98        2PX         0.00000   0.00000   0.26438
  99        2PY         0.00000   0.00000   0.00000   0.14617
 100        2PZ         0.00000   0.00000   0.00000   0.00000   0.26625
 101        3S         -0.03164   0.16579   0.00000   0.00000   0.00000
 102        3PX         0.00000   0.00000   0.04217   0.00000   0.00000
 103        3PY         0.00000   0.00000   0.00000   0.02667   0.00000
 104        3PZ         0.00000   0.00000   0.00000   0.00000   0.10719
 105        4XX        -0.00210   0.00439   0.00000   0.00000   0.00000
 106        4YY        -0.00188   0.00033   0.00000   0.00000   0.00000
 107        4ZZ        -0.00149  -0.00510   0.00000   0.00000   0.00000
 108        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
 109        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
 110        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
                         101       102       103       104       105
 101        3S          0.17785
 102        3PX         0.00000   0.02733
 103        3PY         0.00000   0.00000   0.01949
 104        3PZ         0.00000   0.00000   0.00000   0.11211
 105        4XX         0.00330   0.00000   0.00000   0.00000   0.00104
 106        4YY         0.00082   0.00000   0.00000   0.00000  -0.00013
 107        4ZZ        -0.00254   0.00000   0.00000   0.00000   0.00004
 108        4XY         0.00000   0.00000   0.00000   0.00000   0.00000
 109        4XZ         0.00000   0.00000   0.00000   0.00000   0.00000
 110        4YZ         0.00000   0.00000   0.00000   0.00000   0.00000
                         106       107       108       109       110
 106        4YY         0.00118
 107        4ZZ        -0.00002   0.00043
 108        4XY         0.00000   0.00000   0.00058
 109        4XZ         0.00000   0.00000   0.00000   0.00045
 110        4YZ         0.00000   0.00000   0.00000   0.00000   0.00056
     Gross orbital populations:
                           1
   1 1   C  1S          1.99218
   2        2S          0.70683
   3        2PX         0.73986
   4        2PY         0.73735
   5        2PZ         0.58949
   6        3S          0.52712
   7        3PX         0.17938
   8        3PY         0.20375
   9        3PZ         0.46400
  10        4XX         0.00192
  11        4YY        -0.00413
  12        4ZZ        -0.02344
  13        4XY         0.00711
  14        4XZ         0.00223
  15        4YZ         0.00471
  16 2   C  1S          1.99183
  17        2S          0.70759
  18        2PX         0.74580
  19        2PY         0.70542
  20        2PZ         0.59910
  21        3S          0.51276
  22        3PX         0.18558
  23        3PY         0.22955
  24        3PZ         0.45511
  25        4XX         0.00138
  26        4YY         0.00020
  27        4ZZ        -0.02542
  28        4XY         0.01224
  29        4XZ         0.00627
  30        4YZ         0.00311
  31 3   C  1S          1.99183
  32        2S          0.70759
  33        2PX         0.74580
  34        2PY         0.70542
  35        2PZ         0.59910
  36        3S          0.51277
  37        3PX         0.18558
  38        3PY         0.22955
  39        3PZ         0.45511
  40        4XX         0.00138
  41        4YY         0.00020
  42        4ZZ        -0.02542
  43        4XY         0.01224
  44        4XZ         0.00627
  45        4YZ         0.00311
  46 4   C  1S          1.99218
  47        2S          0.70683
  48        2PX         0.73986
  49        2PY         0.73735
  50        2PZ         0.58949
  51        3S          0.52712
  52        3PX         0.17938
  53        3PY         0.20375
  54        3PZ         0.46400
  55        4XX         0.00192
  56        4YY        -0.00414
  57        4ZZ        -0.02344
  58        4XY         0.00711
  59        4XZ         0.00223
  60        4YZ         0.00471
  61 5   H  1S          0.52955
  62        2S          0.35773
  63        3PX         0.00822
  64        3PY         0.00264
  65        3PZ         0.00318
  66 6   H  1S          0.53628
  67        2S          0.36379
  68        3PX         0.00319
  69        3PY         0.00674
  70        3PZ         0.00315
  71 7   H  1S          0.53628
  72        2S          0.36379
  73        3PX         0.00319
  74        3PY         0.00674
  75        3PZ         0.00315
  76 8   H  1S          0.52955
  77        2S          0.35773
  78        3PX         0.00822
  79        3PY         0.00264
  80        3PZ         0.00318
  81 9   B  1S          1.99213
  82        2S          0.60811
  83        2PX         0.52992
  84        2PY         0.29784
  85        2PZ         0.50473
  86        3S          0.42185
  87        3PX         0.11893
  88        3PY         0.06761
  89        3PZ         0.35519
  90        4XX         0.01796
  91        4YY         0.00841
  92        4ZZ        -0.01202
  93        4XY         0.00623
  94        4XZ         0.00459
  95        4YZ         0.00515
  96 10  B  1S          1.99213
  97        2S          0.60811
  98        2PX         0.52992
  99        2PY         0.29785
 100        2PZ         0.50473
 101        3S          0.42185
 102        3PX         0.11893
 103        3PY         0.06761
 104        3PZ         0.35519
 105        4XX         0.01796
 106        4YY         0.00841
 107        4ZZ        -0.01202
 108        4XY         0.00623
 109        4XZ         0.00459
 110        4YZ         0.00515
          Condensed to atoms (all electrons):
              1          2          3          4          5          6
     1  C    4.771276   0.512882  -0.041991  -0.014241   0.350715  -0.048332
     2  C    0.512882   4.855514   0.556689  -0.041991  -0.022731   0.369297
     3  C   -0.041991   0.556689   4.855515   0.512882   0.006187  -0.040635
     4  C   -0.014241  -0.041991   0.512882   4.771276   0.000061   0.004947
     5  H    0.350715  -0.022731   0.006187   0.000061   0.630335  -0.011290
     6  H   -0.048332   0.369297  -0.040635   0.004947  -0.011290   0.640277
     7  H    0.004947  -0.040635   0.369297  -0.048332  -0.000174  -0.008638
     8  H    0.000061   0.006187  -0.022731   0.350715   0.000004  -0.000174
     9  B   -0.010663  -0.055598  -0.009079   0.603699   0.003020   0.001462
    10  B    0.603699  -0.009079  -0.055598  -0.010663  -0.054802   0.006237
              7          8          9         10
     1  C    0.004947   0.000061  -0.010663   0.603699
     2  C   -0.040635   0.006187  -0.055598  -0.009079
     3  C    0.369297  -0.022731  -0.009079  -0.055598
     4  C   -0.048332   0.350715   0.603699  -0.010663
     5  H   -0.000174   0.000004   0.003020  -0.054802
     6  H   -0.008638  -0.000174   0.001462   0.006237
     7  H    0.640278  -0.011291   0.006237   0.001462
     8  H   -0.011291   0.630335  -0.054802   0.003020
     9  B    0.006237  -0.054802   3.918598   0.523756
    10  B    0.001462   0.003020   0.523756   3.918600
 Mulliken atomic charges:
              1
     1  C   -0.128355
     2  C   -0.130536
     3  C   -0.130536
     4  C   -0.128354
     5  H    0.098675
     6  H    0.086848
     7  H    0.086848
     8  H    0.098675
     9  B    0.073368
    10  B    0.073367
 Sum of Mulliken atomic charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
              1
     1  C   -0.029680
     2  C   -0.043688
     3  C   -0.043688
     4  C   -0.029679
     9  B    0.073368
    10  B    0.073367
 Sum of Mulliken charges with hydrogens summed into heavy atoms =   0.00000
 APT atomic charges:
              1
     1  C   -0.201296
     2  C   -0.043142
     3  C   -0.043140
     4  C   -0.201296
     5  H    0.103985
     6  H   -0.008834
     7  H   -0.008834
     8  H    0.103985
     9  B    0.149288
    10  B    0.149284
 Sum of APT charges=   0.00000
 APT Atomic charges with hydrogens summed into heavy atoms:
              1
     1  C   -0.097311
     2  C   -0.051975
     3  C   -0.051974
     4  C   -0.097311
     5  H    0.000000
     6  H    0.000000
     7  H    0.000000
     8  H    0.000000
     9  B    0.149288
    10  B    0.149284
 Sum of APT charges=   0.00000
 Electronic spatial extent (au):  <R**2>=            414.6773
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -1.2599    Z=              0.0000  Tot=              1.2599
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -29.3113   YY=            -27.9167   ZZ=            -39.0943
   XY=              0.0000   XZ=              0.0025   YZ=             -0.0002
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.7961   YY=              4.1908   ZZ=             -6.9869
   XY=              0.0000   XZ=              0.0025   YZ=             -0.0002
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.5183  ZZZ=              0.0001  XYY=             -0.0001
  XXY=              1.1839  XXZ=              0.0003  XZZ=              0.0000  YZZ=              4.2946
  YYZ=              0.0001  XYZ=             -0.0005
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -289.9086 YYYY=           -210.4909 ZZZZ=            -46.0768 XXXY=              0.0001
 XXXZ=              0.0195 YYYX=              0.0001 YYYZ=             -0.0010 ZZZX=              0.0062
 ZZZY=             -0.0003 XXYY=            -82.1397 XXZZ=            -68.8041 YYZZ=            -53.7975
 XXYZ=             -0.0003 YYXZ=              0.0035 ZZXY=              0.0000
 N-N= 1.624612837696D+02 E-N=-7.976267303467D+02  KE= 2.023987215417D+02
 Orbital energies and kinetic energies (alpha):
                                 1                 2
   1         O               -10.184174         15.877081
   2         O               -10.183618         15.887509
   3         O               -10.173922         15.884167
   4         O               -10.173913         15.881901
   5         O                -6.772273         10.788195
   6         O                -6.771456         10.802673
   7         O                -0.797654          1.473473
   8         O                -0.711169          1.536182
   9         O                -0.630822          1.477551
  10         O                -0.523273          1.080195
  11         O                -0.516790          1.375594
  12         O                -0.436284          1.192792
  13         O                -0.426819          1.185889
  14         O                -0.391938          1.318872
  15         O                -0.342112          1.317865
  16         O                -0.334137          1.248277
  17         O                -0.327451          0.885868
  18         O                -0.231434          1.043746
  19         O                -0.192402          0.941531
  20         V                -0.113416          0.899903
  21         V                -0.054320          1.054753
  22         V                 0.010470          1.193724
  23         V                 0.034423          1.183496
  24         V                 0.113851          0.931202
  25         V                 0.145903          0.965941
  26         V                 0.174733          1.394804
  27         V                 0.179174          1.095153
  28         V                 0.196821          1.260725
  29         V                 0.244439          0.972517
  30         V                 0.270650          1.178270
  31         V                 0.306508          1.517426
  32         V                 0.335914          1.324592
  33         V                 0.387298          1.368539
  34         V                 0.407792          1.485882
  35         V                 0.421075          1.476652
  36         V                 0.424117          1.372492
  37         V                 0.427945          1.431181
  38         V                 0.501785          1.576471
  39         V                 0.505473          1.451471
  40         V                 0.580102          2.010635
  41         V                 0.588114          2.037893
  42         V                 0.592987          2.341688
  43         V                 0.618798          2.297629
  44         V                 0.641375          1.918507
  45         V                 0.650138          2.131170
  46         V                 0.665619          2.539051
  47         V                 0.668470          2.178949
  48         V                 0.725379          1.835812
  49         V                 0.739228          2.221889
  50         V                 0.826683          2.485496
  51         V                 0.832991          2.711569
  52         V                 0.837905          2.633593
  53         V                 0.853925          2.325881
  54         V                 0.878367          2.231992
  55         V                 0.912782          2.411803
  56         V                 0.961791          2.458689
  57         V                 1.073153          1.998132
  58         V                 1.083977          2.110530
  59         V                 1.085929          2.011248
  60         V                 1.146613          2.053764
  61         V                 1.151085          2.336827
  62         V                 1.251838          2.290568
  63         V                 1.284124          2.269180
  64         V                 1.307708          2.370397
  65         V                 1.355197          2.454060
  66         V                 1.376091          2.404461
  67         V                 1.407998          2.457669
  68         V                 1.426547          2.491379
  69         V                 1.543643          2.566470
  70         V                 1.548109          2.653975
  71         V                 1.647791          2.917096
  72         V                 1.697611          2.741659
  73         V                 1.742693          2.673572
  74         V                 1.843858          3.179408
  75         V                 1.902182          3.197272
  76         V                 1.907551          2.902423
  77         V                 1.924166          3.206331
  78         V                 1.942611          3.375706
  79         V                 1.974605          3.242274
  80         V                 1.988043          2.947530
  81         V                 2.098618          3.161194
  82         V                 2.142537          3.435252
  83         V                 2.198424          3.388901
  84         V                 2.238941          3.480912
  85         V                 2.260838          3.523675
  86         V                 2.359136          3.425556
  87         V                 2.401907          3.287197
  88         V                 2.432889          3.752823
  89         V                 2.449847          3.807567
  90         V                 2.483337          3.424368
  91         V                 2.487743          4.092664
  92         V                 2.504924          3.744777
  93         V                 2.564154          3.795978
  94         V                 2.571820          3.553367
  95         V                 2.644774          4.080876
  96         V                 2.693508          3.708247
  97         V                 2.721537          4.037783
  98         V                 2.927153          4.263746
  99         V                 3.019164          4.853385
 100         V                 3.247089          4.746723
 101         V                 3.259457          4.882793
 102         V                 3.337833          5.086243
 103         V                 3.449726          7.072067
 104         V                 3.451326          6.242971
 105         V                 3.591031          7.724027
 106         V                 3.739869          5.644559
 107         V                 4.166729         10.139480
 108         V                 4.347347         10.138591
 109         V                 4.451763         10.017462
 110         V                 4.707517         10.111639
 Total kinetic energy from orbitals= 2.023987215417D+02
  Exact polarizability:  79.225   0.000  73.209  -0.008   0.000  30.196
 Approx polarizability: 143.864   0.000 141.664  -0.013   0.001  39.942
 ******************************Gaussian NBO Version 3.1******************************
             N A T U R A L   A T O M I C   O R B I T A L   A N D
          N A T U R A L   B O N D   O R B I T A L   A N A L Y S I S
 ******************************Gaussian NBO Version 3.1******************************
       /RESON  / : Allow strongly delocalized NBO set

 Analyzing the SCF density

 Job title: diborabenzene frequency 6-31G (d,p)                             

 Storage needed:     36824 in NPA,     48845 in NBO ( 917503420 available)

 NATURAL POPULATIONS:  Natural atomic orbital occupancies 
                                                          
   NAO  Atom  No  lang   Type(AO)    Occupancy      Energy
 ----------------------------------------------------------
     1    C    1  S      Cor( 1S)     1.99876     -10.02590
     2    C    1  S      Val( 2S)     1.08198      -0.23953
     3    C    1  S      Ryd( 3S)     0.00048       1.16964
     4    C    1  S      Ryd( 4S)     0.00001       4.31654
     5    C    1  px     Val( 2p)     1.26628      -0.08778
     6    C    1  px     Ryd( 3p)     0.00369       1.08990
     7    C    1  py     Val( 2p)     1.23153      -0.10487
     8    C    1  py     Ryd( 3p)     0.00478       0.76394
     9    C    1  pz     Val( 2p)     1.12541      -0.10483
    10    C    1  pz     Ryd( 3p)     0.00036       0.65184
    11    C    1  dxy    Ryd( 3d)     0.00047       2.51592
    12    C    1  dxz    Ryd( 3d)     0.00035       1.94559
    13    C    1  dyz    Ryd( 3d)     0.00039       1.94125
    14    C    1  dx2y2  Ryd( 3d)     0.00047       2.50003
    15    C    1  dz2    Ryd( 3d)     0.00042       2.36499

    16    C    2  S      Cor( 1S)     1.99911     -10.04142
    17    C    2  S      Val( 2S)     0.95147      -0.16304
    18    C    2  S      Ryd( 3S)     0.00063       1.17929
    19    C    2  S      Ryd( 4S)     0.00003       4.07098
    20    C    2  px     Val( 2p)     1.09229      -0.02786
    21    C    2  px     Ryd( 3p)     0.00491       0.80125
    22    C    2  py     Val( 2p)     1.12681      -0.03981
    23    C    2  py     Ryd( 3p)     0.00429       1.02685
    24    C    2  pz     Val( 2p)     1.06188      -0.09060
    25    C    2  pz     Ryd( 3p)     0.00096       0.64150
    26    C    2  dxy    Ryd( 3d)     0.00067       2.54115
    27    C    2  dxz    Ryd( 3d)     0.00058       1.95857
    28    C    2  dyz    Ryd( 3d)     0.00038       1.89681
    29    C    2  dx2y2  Ryd( 3d)     0.00075       2.48176
    30    C    2  dz2    Ryd( 3d)     0.00043       2.31234

    31    C    3  S      Cor( 1S)     1.99911     -10.04142
    32    C    3  S      Val( 2S)     0.95147      -0.16304
    33    C    3  S      Ryd( 3S)     0.00063       1.17929
    34    C    3  S      Ryd( 4S)     0.00003       4.07098
    35    C    3  px     Val( 2p)     1.09229      -0.02786
    36    C    3  px     Ryd( 3p)     0.00491       0.80125
    37    C    3  py     Val( 2p)     1.12681      -0.03981
    38    C    3  py     Ryd( 3p)     0.00429       1.02685
    39    C    3  pz     Val( 2p)     1.06188      -0.09060
    40    C    3  pz     Ryd( 3p)     0.00096       0.64150
    41    C    3  dxy    Ryd( 3d)     0.00067       2.54115
    42    C    3  dxz    Ryd( 3d)     0.00058       1.95857
    43    C    3  dyz    Ryd( 3d)     0.00038       1.89681
    44    C    3  dx2y2  Ryd( 3d)     0.00075       2.48175
    45    C    3  dz2    Ryd( 3d)     0.00043       2.31234

    46    C    4  S      Cor( 1S)     1.99876     -10.02590
    47    C    4  S      Val( 2S)     1.08198      -0.23953
    48    C    4  S      Ryd( 3S)     0.00048       1.16964
    49    C    4  S      Ryd( 4S)     0.00001       4.31654
    50    C    4  px     Val( 2p)     1.26628      -0.08778
    51    C    4  px     Ryd( 3p)     0.00369       1.08990
    52    C    4  py     Val( 2p)     1.23153      -0.10487
    53    C    4  py     Ryd( 3p)     0.00478       0.76394
    54    C    4  pz     Val( 2p)     1.12541      -0.10483
    55    C    4  pz     Ryd( 3p)     0.00036       0.65184
    56    C    4  dxy    Ryd( 3d)     0.00047       2.51592
    57    C    4  dxz    Ryd( 3d)     0.00035       1.94559
    58    C    4  dyz    Ryd( 3d)     0.00039       1.94125
    59    C    4  dx2y2  Ryd( 3d)     0.00047       2.50003
    60    C    4  dz2    Ryd( 3d)     0.00042       2.36499

    61    H    5  S      Val( 1S)     0.72395       0.10564
    62    H    5  S      Ryd( 2S)     0.00072       0.58867
    63    H    5  px     Ryd( 2p)     0.00041       3.02731
    64    H    5  py     Ryd( 2p)     0.00011       2.43667
    65    H    5  pz     Ryd( 2p)     0.00015       2.23260

    66    H    6  S      Val( 1S)     0.75353       0.10840
    67    H    6  S      Ryd( 2S)     0.00107       0.59614
    68    H    6  px     Ryd( 2p)     0.00015       2.64416
    69    H    6  py     Ryd( 2p)     0.00033       2.93267
    70    H    6  pz     Ryd( 2p)     0.00016       2.24150

    71    H    7  S      Val( 1S)     0.75353       0.10840
    72    H    7  S      Ryd( 2S)     0.00107       0.59614
    73    H    7  px     Ryd( 2p)     0.00015       2.64416
    74    H    7  py     Ryd( 2p)     0.00033       2.93267
    75    H    7  pz     Ryd( 2p)     0.00016       2.24150

    76    H    8  S      Val( 1S)     0.72395       0.10564
    77    H    8  S      Ryd( 2S)     0.00072       0.58867
    78    H    8  px     Ryd( 2p)     0.00041       3.02731
    79    H    8  py     Ryd( 2p)     0.00011       2.43666
    80    H    8  pz     Ryd( 2p)     0.00015       2.23260

    81    B    9  S      Cor( 1S)     1.99776      -6.66954
    82    B    9  S      Val( 2S)     0.83397      -0.03780
    83    B    9  S      Ryd( 3S)     0.00087       1.05230
    84    B    9  S      Ryd( 4S)     0.00009       2.97333
    85    B    9  px     Val( 2p)     0.62497       0.08925
    86    B    9  px     Ryd( 3p)     0.00341       0.48524
    87    B    9  py     Val( 2p)     0.28482       0.09331
    88    B    9  py     Ryd( 3p)     0.00233       0.47009
    89    B    9  pz     Val( 2p)     0.80748      -0.02179
    90    B    9  pz     Ryd( 3p)     0.00105       0.46934
    91    B    9  dxy    Ryd( 3d)     0.00044       1.84901
    92    B    9  dxz    Ryd( 3d)     0.00030       1.49221
    93    B    9  dyz    Ryd( 3d)     0.00054       1.43586
    94    B    9  dx2y2  Ryd( 3d)     0.00055       1.88929
    95    B    9  dz2    Ryd( 3d)     0.00024       1.74045

    96    B   10  S      Cor( 1S)     1.99776      -6.66954
    97    B   10  S      Val( 2S)     0.83397      -0.03780
    98    B   10  S      Ryd( 3S)     0.00087       1.05230
    99    B   10  S      Ryd( 4S)     0.00009       2.97333
   100    B   10  px     Val( 2p)     0.62497       0.08925
   101    B   10  px     Ryd( 3p)     0.00341       0.48524
   102    B   10  py     Val( 2p)     0.28483       0.09331
   103    B   10  py     Ryd( 3p)     0.00233       0.47009
   104    B   10  pz     Val( 2p)     0.80748      -0.02179
   105    B   10  pz     Ryd( 3p)     0.00105       0.46933
   106    B   10  dxy    Ryd( 3d)     0.00044       1.84901
   107    B   10  dxz    Ryd( 3d)     0.00030       1.49221
   108    B   10  dyz    Ryd( 3d)     0.00054       1.43587
   109    B   10  dx2y2  Ryd( 3d)     0.00055       1.88929
   110    B   10  dz2    Ryd( 3d)     0.00024       1.74045

 WARNING:  1 low occupancy (<1.9990e) core orbital  found on  C    1
           1 low occupancy (<1.9990e) core orbital  found on  C    4
           1 low occupancy (<1.9990e) core orbital  found on  B    9
           1 low occupancy (<1.9990e) core orbital  found on  B   10

 Summary of Natural Population Analysis:                  
                                                          
                                       Natural Population 
                Natural  -----------------------------------------------
    Atom  No    Charge         Core      Valence    Rydberg      Total
 -----------------------------------------------------------------------
      C    1   -0.71539      1.99876     4.70521    0.01142     6.71539
      C    2   -0.24519      1.99911     4.23246    0.01363     6.24519
      C    3   -0.24519      1.99911     4.23246    0.01363     6.24519
      C    4   -0.71539      1.99876     4.70521    0.01142     6.71539
      H    5    0.27466      0.00000     0.72395    0.00139     0.72534
      H    6    0.24475      0.00000     0.75353    0.00171     0.75525
      H    7    0.24475      0.00000     0.75353    0.00171     0.75525
      H    8    0.27466      0.00000     0.72395    0.00139     0.72534
      B    9    0.44117      1.99776     2.55125    0.00981     4.55883
      B   10    0.44117      1.99776     2.55125    0.00981     4.55883
 =======================================================================
   * Total *    0.00000     11.99126    25.93280    0.07593    38.00000

                                 Natural Population      
 --------------------------------------------------------
   Core                      11.99126 ( 99.9272% of  12)
   Valence                   25.93280 ( 99.7415% of  26)
   Natural Minimal Basis     37.92407 ( 99.8002% of  38)
   Natural Rydberg Basis      0.07593 (  0.1998% of  38)
 --------------------------------------------------------

    Atom  No          Natural Electron Configuration
 ----------------------------------------------------------------------------
      C    1      [core]2S( 1.08)2p( 3.62)3p( 0.01)
      C    2      [core]2S( 0.95)2p( 3.28)3p( 0.01)
      C    3      [core]2S( 0.95)2p( 3.28)3p( 0.01)
      C    4      [core]2S( 1.08)2p( 3.62)3p( 0.01)
      H    5            1S( 0.72)
      H    6            1S( 0.75)
      H    7            1S( 0.75)
      H    8            1S( 0.72)
      B    9      [core]2S( 0.83)2p( 1.72)3p( 0.01)
      B   10      [core]2S( 0.83)2p( 1.72)3p( 0.01)

 NATURAL BOND ORBITAL ANALYSIS:

                       Occupancies       Lewis Structure    Low   High
           Occ.    -------------------  -----------------   occ   occ
  Cycle   Thresh.   Lewis   Non-Lewis     CR  BD  3C  LP    (L)   (NL)   Dev
 =============================================================================
   1(1)    1.90    34.97067   3.02933      6  10   0   3     3      3    0.52
   2(2)    1.90    34.97067   3.02933      6  10   0   3     3      3    0.52
   3(1)    1.80    34.97067   3.02933      6  10   0   3     3      3    0.52
   4(2)    1.80    34.97067   3.02933      6  10   0   3     3      3    0.52
   5(1)    1.70    35.69090   2.30910      6  11   0   2     2      3    0.42
   6(2)    1.70    35.69090   2.30910      6  11   0   2     2      3    0.42
   7(1)    1.60    36.82152   1.17848      6  13   0   0     0      3    0.35
   8(2)    1.60    36.82152   1.17848      6  13   0   0     0      3    0.35
   9(1)    1.50    36.82152   1.17848      6  13   0   0     0      3    0.35
  10(2)    1.50    36.82152   1.17848      6  13   0   0     0      3    0.35
  11(1)    1.60    36.82152   1.17848      6  13   0   0     0      3    0.35
 -----------------------------------------------------------------------------

 Structure accepted: RESONANCE keyword permits strongly delocalized structure

 WARNING:  1 low occupancy (<1.9990e) core orbital  found on  C    1
           1 low occupancy (<1.9990e) core orbital  found on  C    4
           1 low occupancy (<1.9990e) core orbital  found on  B    9
           1 low occupancy (<1.9990e) core orbital  found on  B   10

 --------------------------------------------------------
   Core                     11.99123 ( 99.927% of  12)
   Valence Lewis            24.83029 ( 95.501% of  26)
  ==================       ============================
   Total Lewis              36.82152 ( 96.899% of  38)
  -----------------------------------------------------
   Valence non-Lewis         1.13015 (  2.974% of  38)
   Rydberg non-Lewis         0.04833 (  0.127% of  38)
  ==================       ============================
   Total non-Lewis           1.17848 (  3.101% of  38)
 --------------------------------------------------------

       (Occupancy)   Bond orbital/ Coefficients/ Hybrids
 ---------------------------------------------------------------------------------
     1. (1.93569) BD ( 1) C   1 - C   2  
                ( 51.60%)   0.7183* C   1 s( 32.30%)p 2.09( 67.66%)d 0.00(  0.04%)
                                           -0.0007  0.5682 -0.0135 -0.0002  0.4774
                                           -0.0118  0.6684  0.0411  0.0002  0.0000
                                            0.0143  0.0000  0.0000  0.0014 -0.0144
                ( 48.40%)   0.6957* C   2 s( 34.48%)p 1.90( 65.48%)d 0.00(  0.04%)
                                            0.0004  0.5872 -0.0082  0.0000 -0.4788
                                           -0.0313 -0.6516  0.0053  0.0001  0.0000
                                            0.0149  0.0000  0.0000 -0.0063 -0.0128
     2. (1.97307) BD ( 1) C   1 - H   5  
                ( 63.71%)   0.7982* C   1 s( 30.08%)p 2.32( 69.89%)d 0.00(  0.03%)
                                            0.0002 -0.5484 -0.0003  0.0011  0.8267
                                           -0.0020 -0.1240 -0.0022  0.0003  0.0000
                                            0.0053  0.0000  0.0000 -0.0132  0.0109
                ( 36.29%)   0.6024* H   5 s( 99.95%)p 0.00(  0.05%)
                                           -0.9997 -0.0011 -0.0230  0.0028  0.0000
     3. (1.96681) BD ( 1) C   1 - B  10  
                ( 66.77%)   0.8171* C   1 s( 37.47%)p 1.67( 62.50%)d 0.00(  0.02%)
                                           -0.0001 -0.6121 -0.0090 -0.0010 -0.2962
                                            0.0363  0.7321  0.0029 -0.0003  0.0000
                                            0.0113  0.0000  0.0000  0.0042  0.0086
                ( 33.23%)   0.5765* B  10 s( 47.80%)p 1.09( 52.14%)d 0.00(  0.06%)
                                            0.0013 -0.6911  0.0199 -0.0039  0.5610
                                            0.0321 -0.4515 -0.0424  0.0001  0.0000
                                            0.0205  0.0000  0.0000  0.0066  0.0133
     4. (1.69111) BD ( 2) C   1 - B  10  
                ( 60.96%)   0.7807* C   1 s(  0.00%)p 1.00( 99.97%)d 0.00(  0.03%)
                                            0.0000 -0.0002  0.0000  0.0000 -0.0004
                                            0.0000  0.0001  0.0000  0.9998 -0.0087
                                            0.0000  0.0160 -0.0058  0.0000  0.0000
                ( 39.04%)   0.6249* B  10 s(  0.00%)p 1.00( 99.93%)d 0.00(  0.07%)
                                            0.0000  0.0004  0.0000  0.0000 -0.0001
                                            0.0000 -0.0005  0.0001  0.9993 -0.0261
                                            0.0000 -0.0033  0.0271  0.0000  0.0000
     5. (1.98317) BD ( 1) C   2 - C   3  
                ( 50.00%)   0.7071* C   2 s( 37.44%)p 1.67( 62.52%)d 0.00(  0.04%)
                                            0.0000  0.6118 -0.0102  0.0004  0.7894
                                            0.0204 -0.0294  0.0269  0.0000  0.0000
                                           -0.0028  0.0000  0.0000  0.0163 -0.0115
                ( 50.00%)   0.7071* C   3 s( 37.44%)p 1.67( 62.52%)d 0.00(  0.04%)
                                            0.0000  0.6118 -0.0102  0.0004 -0.7894
                                           -0.0204 -0.0294  0.0269  0.0000  0.0000
                                            0.0028  0.0000  0.0000  0.0163 -0.0115
     6. (1.78253) BD ( 2) C   2 - C   3  
                ( 50.00%)   0.7071* C   2 s(  0.00%)p 1.00( 99.97%)d 0.00(  0.03%)
                                            0.0000 -0.0001  0.0000  0.0000  0.0000
                                            0.0000  0.0001  0.0000  0.9997 -0.0138
                                            0.0000  0.0175 -0.0044  0.0000  0.0000
                ( 50.00%)   0.7071* C   3 s(  0.00%)p 1.00( 99.97%)d 0.00(  0.03%)
                                            0.0000  0.0001  0.0000  0.0000  0.0000
                                            0.0000 -0.0001  0.0000  0.9997 -0.0138
                                            0.0000 -0.0175 -0.0044  0.0000  0.0000
     7. (1.97123) BD ( 1) C   2 - H   6  
                ( 62.18%)   0.7886* C   2 s( 28.06%)p 2.56( 71.90%)d 0.00(  0.04%)
                                           -0.0005  0.5295  0.0152 -0.0003 -0.3817
                                            0.0058  0.7571 -0.0109 -0.0001  0.0000
                                           -0.0134  0.0000  0.0000 -0.0099 -0.0109
                ( 37.82%)   0.6150* H   6 s( 99.95%)p 0.00(  0.05%)
                                            0.9997  0.0020  0.0103 -0.0200  0.0000
     8. (1.93569) BD ( 1) C   3 - C   4  
                ( 48.40%)   0.6957* C   3 s( 34.48%)p 1.90( 65.48%)d 0.00(  0.04%)
                                            0.0004  0.5872 -0.0082  0.0000  0.4788
                                            0.0313 -0.6516  0.0053 -0.0001  0.0000
                                           -0.0149  0.0000  0.0000 -0.0063 -0.0128
                ( 51.60%)   0.7183* C   4 s( 32.30%)p 2.09( 67.66%)d 0.00(  0.04%)
                                           -0.0007  0.5682 -0.0135 -0.0002 -0.4774
                                            0.0118  0.6684  0.0411 -0.0002  0.0000
                                           -0.0143  0.0000  0.0000  0.0014 -0.0144
     9. (1.97123) BD ( 1) C   3 - H   7  
                ( 62.18%)   0.7886* C   3 s( 28.06%)p 2.56( 71.90%)d 0.00(  0.04%)
                                           -0.0005  0.5295  0.0152 -0.0003  0.3817
                                           -0.0058  0.7571 -0.0109  0.0000  0.0000
                                            0.0134  0.0000  0.0000 -0.0099 -0.0109
                ( 37.82%)   0.6150* H   7 s( 99.95%)p 0.00(  0.05%)
                                            0.9997  0.0020 -0.0103 -0.0200  0.0000
    10. (1.97307) BD ( 1) C   4 - H   8  
                ( 63.71%)   0.7982* C   4 s( 30.08%)p 2.32( 69.89%)d 0.00(  0.03%)
                                           -0.0002  0.5484  0.0003 -0.0011  0.8267
                                           -0.0020  0.1240  0.0022  0.0003  0.0000
                                            0.0053  0.0000  0.0000  0.0132 -0.0109
                ( 36.29%)   0.6024* H   8 s( 99.95%)p 0.00(  0.05%)
                                            0.9997  0.0011 -0.0230 -0.0028  0.0000
    11. (1.96681) BD ( 1) C   4 - B   9  
                ( 66.77%)   0.8171* C   4 s( 37.47%)p 1.67( 62.50%)d 0.00(  0.02%)
                                           -0.0001 -0.6121 -0.0090 -0.0010  0.2962
                                           -0.0363  0.7321  0.0029  0.0003  0.0000
                                           -0.0113  0.0000  0.0000  0.0042  0.0086
                ( 33.23%)   0.5765* B   9 s( 47.80%)p 1.09( 52.14%)d 0.00(  0.06%)
                                            0.0013 -0.6911  0.0199 -0.0039 -0.5610
                                           -0.0321 -0.4515 -0.0424 -0.0001  0.0000
                                           -0.0205  0.0000  0.0000  0.0066  0.0133
    12. (1.69111) BD ( 2) C   4 - B   9  
                ( 60.96%)   0.7807* C   4 s(  0.00%)p 1.00( 99.97%)d 0.00(  0.03%)
                                            0.0000  0.0002  0.0000  0.0000 -0.0005
                                            0.0000 -0.0001  0.0000  0.9998 -0.0087
                                            0.0000 -0.0160 -0.0058  0.0000  0.0000
                ( 39.04%)   0.6249* B   9 s(  0.00%)p 1.00( 99.93%)d 0.00(  0.07%)
                                            0.0000 -0.0004  0.0000  0.0000 -0.0002
                                            0.0000  0.0005 -0.0001  0.9993 -0.0261
                                            0.0000  0.0033  0.0271  0.0000  0.0000
    13. (1.98877) BD ( 1) B   9 - B  10  
                ( 50.00%)   0.7071* B   9 s( 50.68%)p 0.97( 49.29%)d 0.00(  0.03%)
                                           -0.0003  0.7118  0.0113 -0.0022 -0.6343
                                           -0.0071 -0.3008  0.0036  0.0003  0.0000
                                            0.0023  0.0000  0.0000  0.0162 -0.0076
                ( 50.00%)   0.7071* B  10 s( 50.68%)p 0.97( 49.29%)d 0.00(  0.03%)
                                           -0.0003  0.7118  0.0113 -0.0022  0.6343
                                            0.0071 -0.3008  0.0036 -0.0004  0.0000
                                           -0.0023  0.0000  0.0000  0.0162 -0.0076
    14. (1.99876) CR ( 1) C   1           s(100.00%)p 0.00(  0.00%)
                                            1.0000  0.0005  0.0000  0.0000  0.0002
                                            0.0000  0.0006  0.0000  0.0000  0.0000
                                            0.0000  0.0000  0.0000  0.0000  0.0000
    15. (1.99911) CR ( 1) C   2           s(100.00%)p 0.00(  0.00%)
                                            1.0000  0.0001  0.0000  0.0000  0.0000
                                            0.0000  0.0006  0.0000  0.0000  0.0000
                                            0.0000  0.0000  0.0000  0.0000  0.0000
    16. (1.99911) CR ( 1) C   3           s(100.00%)p 0.00(  0.00%)
                                            1.0000  0.0001  0.0000  0.0000  0.0000
                                            0.0000  0.0006  0.0000  0.0000  0.0000
                                            0.0000  0.0000  0.0000  0.0000  0.0000
    17. (1.99876) CR ( 1) C   4           s(100.00%)p 0.00(  0.00%)
                                            1.0000  0.0005  0.0000  0.0000 -0.0002
                                            0.0000  0.0006  0.0000  0.0000  0.0000
                                            0.0000  0.0000  0.0000  0.0000  0.0000
    18. (1.99775) CR ( 1) B   9           s(100.00%)p 0.00(  0.00%)
                                            1.0000  0.0011  0.0000  0.0000  0.0006
                                            0.0000  0.0005  0.0001  0.0000  0.0000
                                            0.0000  0.0000  0.0000  0.0000  0.0000
    19. (1.99775) CR ( 1) B  10           s(100.00%)p 0.00(  0.00%)
                                            1.0000  0.0011  0.0000  0.0000 -0.0006
                                            0.0000  0.0005  0.0001  0.0000  0.0000
                                            0.0000  0.0000  0.0000  0.0000  0.0000
    20. (0.08869) LP*( 1) B   9           s(  1.66%)p58.99( 97.99%)d 0.21(  0.34%)
                                            0.0000  0.1175  0.0523  0.0082  0.5298
                                            0.0184 -0.8359 -0.0119  0.0005  0.0001
                                            0.0306  0.0000  0.0000  0.0428  0.0259
    21. (0.08869) LP*( 1) B  10           s(  1.66%)p58.99( 97.99%)d 0.21(  0.34%)
                                            0.0000  0.1175  0.0523  0.0082 -0.5298
                                           -0.0184 -0.8359 -0.0119 -0.0005 -0.0001
                                           -0.0306  0.0000  0.0000  0.0428  0.0259
    22. (0.00343) RY*( 1) C   1           s(  0.27%)p99.99( 97.41%)d 8.70(  2.33%)
                                            0.0000 -0.0280  0.0433  0.0038 -0.0214
                                           -0.2516 -0.0209  0.9539  0.0000 -0.0005
                                           -0.0827 -0.0001 -0.0002 -0.1281  0.0063
    23. (0.00202) RY*( 2) C   1           s(  0.16%)p99.99( 92.05%)d48.70(  7.79%)
                                            0.0000  0.0172  0.0355  0.0064  0.0151
                                            0.9174 -0.0271  0.2793  0.0000 -0.0006
                                            0.0141  0.0000 -0.0001  0.2772 -0.0295
    24. (0.00053) RY*( 3) C   1           s(  0.00%)p 1.00( 27.54%)d 2.63( 72.46%)
                                            0.0000  0.0000  0.0009 -0.0001  0.0000
                                           -0.0003  0.0000 -0.0005 -0.0055 -0.5247
                                            0.0002 -0.2401 -0.8167 -0.0001  0.0000
    25. (0.00021) RY*( 4) C   1           s(  0.03%)p99.99( 62.94%)d99.99( 37.03%)
                                            0.0000  0.0000  0.0176 -0.0017  0.0001
                                           -0.0010  0.0003 -0.0013 -0.0003 -0.7934
                                           -0.0004 -0.2094  0.5713  0.0006 -0.0009
    26. (0.00019) RY*( 5) C   1           s( 99.00%)p 0.00(  0.45%)d 0.01(  0.54%)
                                            0.0000  0.0008  0.9898 -0.1018  0.0049
                                           -0.0410  0.0173 -0.0481  0.0000  0.0145
                                           -0.0147  0.0042 -0.0095  0.0573 -0.0426
    27. (0.00004) RY*( 6) C   1           s(  6.89%)p 1.20(  8.27%)d12.31( 84.84%)
    28. (0.00001) RY*( 7) C   1           s(  0.12%)p 4.32(  0.53%)d99.99( 99.35%)
    29. (0.00000) RY*( 8) C   1           s( 93.09%)p 0.01(  0.57%)d 0.07(  6.33%)
    30. (0.00000) RY*( 9) C   1           s(  0.00%)p 1.00(  9.53%)d 9.49( 90.47%)
    31. (0.00001) RY*(10) C   1           s(  0.57%)p 1.21(  0.69%)d99.99( 98.74%)
    32. (0.00465) RY*( 1) C   2           s(  0.25%)p99.99( 92.63%)d27.96(  7.11%)
                                            0.0000 -0.0102  0.0482  0.0109  0.0031
                                           -0.7144  0.0287  0.6443  0.0000 -0.0003
                                            0.1689 -0.0001  0.0000  0.2027  0.0384
    33. (0.00314) RY*( 2) C   2           s(  0.70%)p99.99( 96.79%)d 3.61(  2.52%)
                                            0.0000  0.0083  0.0815  0.0163  0.0346
                                           -0.6632  0.0030 -0.7259  0.0000 -0.0001
                                           -0.1431  0.0001  0.0001  0.0685  0.0000
    34. (0.00102) RY*( 3) C   2           s(  0.00%)p 1.00( 37.68%)d 1.65( 62.32%)
                                            0.0000  0.0000  0.0005  0.0001  0.0000
                                           -0.0001  0.0000 -0.0001  0.0158  0.6137
                                            0.0000 -0.5613 -0.5550  0.0001  0.0000
    35. (0.00060) RY*( 4) C   2           s(  0.00%)p 1.00( 52.48%)d 0.91( 47.52%)
                                            0.0000  0.0000  0.0007  0.0002  0.0000
                                            0.0004  0.0000 -0.0001  0.0014 -0.7245
                                           -0.0002 -0.6799 -0.1133  0.0005  0.0002
    36. (0.00018) RY*( 5) C   2           s( 33.51%)p 0.10(  3.23%)d 1.89( 63.26%)
                                            0.0000  0.0029  0.5716  0.0916 -0.0148
                                            0.1605 -0.0207  0.0766  0.0000  0.0004
                                           -0.5169  0.0009  0.0001  0.5919  0.1229
    37. (0.00014) RY*( 6) C   2           s( 63.86%)p 0.00(  0.27%)d 0.56( 35.87%)
                                            0.0000  0.0009  0.7958 -0.0727  0.0203
                                           -0.0363 -0.0106  0.0292  0.0000  0.0000
                                            0.2022  0.0003  0.0004 -0.5584 -0.0781
    38. (0.00004) RY*( 7) C   2           s( 43.63%)p 0.03(  1.41%)d 1.26( 54.96%)
    39. (0.00002) RY*( 8) C   2           s( 13.25%)p 0.43(  5.76%)d 6.11( 80.99%)
    40. (0.00000) RY*( 9) C   2           s(  0.00%)p 1.00(  9.86%)d 9.14( 90.14%)
    41. (0.00000) RY*(10) C   2           s( 44.82%)p 0.00(  0.01%)d 1.23( 55.17%)
    42. (0.00465) RY*( 1) C   3           s(  0.25%)p99.99( 92.63%)d27.96(  7.11%)
                                            0.0000 -0.0102  0.0482  0.0109 -0.0031
                                            0.7144  0.0287  0.6443  0.0000  0.0003
                                           -0.1689 -0.0001  0.0000  0.2027  0.0384
    43. (0.00314) RY*( 2) C   3           s(  0.70%)p99.99( 96.79%)d 3.61(  2.52%)
                                            0.0000  0.0083  0.0815  0.0163 -0.0346
                                            0.6632  0.0030 -0.7259  0.0000  0.0002
                                            0.1431  0.0001 -0.0001  0.0685  0.0000
    44. (0.00102) RY*( 3) C   3           s(  0.00%)p 1.00( 37.68%)d 1.65( 62.32%)
                                            0.0000  0.0000  0.0006  0.0001  0.0000
                                            0.0002  0.0000 -0.0001 -0.0158 -0.6137
                                            0.0000 -0.5613  0.5551  0.0001  0.0000
    45. (0.00060) RY*( 4) C   3           s(  0.00%)p 1.00( 52.49%)d 0.91( 47.51%)
                                            0.0000  0.0000  0.0007  0.0002  0.0000
                                           -0.0004  0.0000 -0.0001 -0.0014  0.7245
                                            0.0002 -0.6799  0.1133  0.0005  0.0002
    46. (0.00018) RY*( 5) C   3           s( 33.51%)p 0.10(  3.23%)d 1.89( 63.26%)
                                            0.0000  0.0029  0.5716  0.0916  0.0148
                                           -0.1605 -0.0207  0.0766  0.0000 -0.0003
                                            0.5169  0.0009 -0.0001  0.5919  0.1229
    47. (0.00014) RY*( 6) C   3           s( 63.86%)p 0.00(  0.27%)d 0.56( 35.87%)
                                            0.0000  0.0009  0.7958 -0.0727 -0.0203
                                            0.0363 -0.0106  0.0292  0.0000  0.0000
                                           -0.2021  0.0002 -0.0004 -0.5583 -0.0781
    48. (0.00004) RY*( 7) C   3           s( 43.63%)p 0.03(  1.41%)d 1.26( 54.96%)
    49. (0.00002) RY*( 8) C   3           s( 13.25%)p 0.43(  5.76%)d 6.11( 80.99%)
    50. (0.00000) RY*( 9) C   3           s(  0.00%)p 1.00(  9.86%)d 9.14( 90.14%)
    51. (0.00000) RY*(10) C   3           s( 44.82%)p 0.00(  0.01%)d 1.23( 55.17%)
    52. (0.00343) RY*( 1) C   4           s(  0.27%)p99.99( 97.41%)d 8.70(  2.33%)
                                            0.0000 -0.0280  0.0433  0.0038  0.0214
                                            0.2516 -0.0209  0.9539  0.0000  0.0005
                                            0.0827 -0.0001  0.0002 -0.1281  0.0063
    53. (0.00202) RY*( 2) C   4           s(  0.16%)p99.99( 92.05%)d48.69(  7.79%)
                                            0.0000  0.0172  0.0355  0.0064 -0.0151
                                           -0.9174 -0.0271  0.2793  0.0000  0.0007
                                           -0.0141  0.0000  0.0001  0.2772 -0.0295
    54. (0.00053) RY*( 3) C   4           s(  0.00%)p 1.00( 27.54%)d 2.63( 72.46%)
                                            0.0000  0.0000  0.0010  0.0000  0.0000
                                            0.0003  0.0000 -0.0005  0.0055  0.5247
                                           -0.0002 -0.2401  0.8167 -0.0001  0.0000
    55. (0.00021) RY*( 4) C   4           s(  0.03%)p99.99( 62.94%)d99.99( 37.03%)
                                            0.0000  0.0000  0.0173 -0.0016 -0.0001
                                            0.0010  0.0003 -0.0013  0.0003  0.7934
                                            0.0004 -0.2094 -0.5713  0.0006 -0.0009
    56. (0.00019) RY*( 5) C   4           s( 99.01%)p 0.00(  0.45%)d 0.01(  0.54%)
                                            0.0000  0.0008  0.9898 -0.1018 -0.0049
                                            0.0410  0.0173 -0.0481  0.0000 -0.0143
                                            0.0147  0.0042  0.0092  0.0573 -0.0426
    57. (0.00004) RY*( 6) C   4           s(  6.89%)p 1.20(  8.27%)d12.31( 84.84%)
    58. (0.00001) RY*( 7) C   4           s(  0.12%)p 4.32(  0.53%)d99.99( 99.35%)
    59. (0.00000) RY*( 8) C   4           s( 93.09%)p 0.01(  0.57%)d 0.07(  6.33%)
    60. (0.00000) RY*( 9) C   4           s(  0.00%)p 1.00(  9.53%)d 9.49( 90.47%)
    61. (0.00001) RY*(10) C   4           s(  0.57%)p 1.21(  0.69%)d99.99( 98.74%)
    62. (0.00073) RY*( 1) H   5           s( 99.84%)p 0.00(  0.16%)
                                           -0.0020  0.9992  0.0323 -0.0227 -0.0002
    63. (0.00015) RY*( 2) H   5           s(  0.00%)p 1.00(100.00%)
                                            0.0000  0.0002 -0.0003  0.0005  1.0000
    64. (0.00011) RY*( 3) H   5           s(  0.05%)p99.99( 99.95%)
                                            0.0021  0.0217  0.0309  0.9993 -0.0005
    65. (0.00001) RY*( 4) H   5           s(  0.16%)p99.99( 99.84%)
    66. (0.00107) RY*( 1) H   6           s( 99.98%)p 0.00(  0.02%)
                                           -0.0023  0.9999 -0.0006 -0.0131  0.0000
    67. (0.00016) RY*( 2) H   6           s(  0.00%)p 1.00(100.00%)
                                            0.0000  0.0000 -0.0002  0.0000  1.0000
    68. (0.00007) RY*( 3) H   6           s(  0.00%)p 1.00(100.00%)
    69. (0.00002) RY*( 4) H   6           s(  0.06%)p99.99( 99.94%)
    70. (0.00107) RY*( 1) H   7           s( 99.98%)p 0.00(  0.02%)
                                           -0.0023  0.9999  0.0006 -0.0131  0.0000
    71. (0.00016) RY*( 2) H   7           s(  0.00%)p 1.00(100.00%)
                                            0.0000  0.0000 -0.0001  0.0000  1.0000
    72. (0.00007) RY*( 3) H   7           s(  0.00%)p 1.00(100.00%)
    73. (0.00002) RY*( 4) H   7           s(  0.06%)p99.99( 99.94%)
    74. (0.00073) RY*( 1) H   8           s( 99.84%)p 0.00(  0.16%)
                                           -0.0020  0.9992 -0.0323 -0.0227  0.0002
    75. (0.00015) RY*( 2) H   8           s(  0.00%)p 1.00(100.00%)
                                            0.0000  0.0002  0.0003  0.0005 -1.0000
    76. (0.00011) RY*( 3) H   8           s(  0.05%)p99.99( 99.95%)
                                            0.0021  0.0217 -0.0309  0.9993  0.0005
    77. (0.00001) RY*( 4) H   8           s(  0.16%)p99.99( 99.84%)
    78. (0.00335) RY*( 1) B   9           s(  0.87%)p99.99( 97.79%)d 1.52(  1.33%)
                                            0.0000 -0.0326  0.0690  0.0540 -0.0384
                                            0.8898 -0.0035  0.4298  0.0000 -0.0004
                                            0.0386 -0.0001 -0.0002  0.1087  0.0041
    79. (0.00113) RY*( 2) B   9           s( 14.51%)p 5.63( 81.73%)d 0.26(  3.77%)
                                            0.0000  0.0142  0.3618 -0.1181 -0.0063
                                            0.3573  0.0512 -0.8288 -0.0001 -0.0016
                                            0.1389 -0.0004 -0.0011  0.1355  0.0037
    80. (0.00073) RY*( 3) B   9           s(  0.00%)p 1.00( 24.70%)d 3.05( 75.30%)
                                            0.0000  0.0000 -0.0001  0.0006  0.0000
                                           -0.0010 -0.0001  0.0013  0.0063 -0.4969
                                           -0.0001 -0.5878 -0.6384 -0.0009 -0.0003
    81. (0.00016) RY*( 4) B   9           s( 83.47%)p 0.12(  9.73%)d 0.08(  6.81%)
                                            0.0000 -0.0051  0.7822  0.4720 -0.0143
                                           -0.2128  0.0512  0.2217  0.0001  0.0030
                                            0.1399 -0.0026  0.0009  0.0713  0.2084
    82. (0.00015) RY*( 5) B   9           s(  0.00%)p 1.00( 42.18%)d 1.37( 57.82%)
                                            0.0000  0.0000  0.0024  0.0028  0.0000
                                           -0.0014  0.0001  0.0013 -0.0146 -0.6493
                                           -0.0003  0.7398 -0.1758  0.0016  0.0010
    83. (0.00003) RY*( 6) B   9           s( 13.18%)p 0.01(  0.13%)d 6.58( 86.69%)
    84. (0.00004) RY*( 7) B   9           s(  3.15%)p 1.20(  3.77%)d29.59( 93.08%)
    85. (0.00000) RY*( 8) B   9           s(  0.00%)p 1.00( 33.20%)d 2.01( 66.80%)
    86. (0.00001) RY*( 9) B   9           s( 76.25%)p 0.09(  6.94%)d 0.22( 16.81%)
    87. (0.00000) RY*(10) B   9           s(  8.44%)p 0.06(  0.49%)d10.79( 91.07%)
    88. (0.00335) RY*( 1) B  10           s(  0.87%)p99.99( 97.79%)d 1.52(  1.33%)
                                            0.0000 -0.0326  0.0690  0.0540  0.0384
                                           -0.8898 -0.0035  0.4298  0.0000  0.0005
                                           -0.0386 -0.0001  0.0002  0.1087  0.0041
    89. (0.00113) RY*( 2) B  10           s( 14.50%)p 5.63( 81.73%)d 0.26(  3.77%)
                                            0.0000  0.0142  0.3618 -0.1181  0.0063
                                           -0.3573  0.0512 -0.8288  0.0001  0.0014
                                           -0.1389 -0.0003  0.0009  0.1355  0.0037
    90. (0.00073) RY*( 3) B  10           s(  0.00%)p 1.00( 24.70%)d 3.05( 75.30%)
                                            0.0000  0.0000  0.0000  0.0006  0.0000
                                            0.0010  0.0000  0.0011 -0.0063  0.4969
                                            0.0001 -0.5878  0.6384 -0.0009 -0.0003
    91. (0.00016) RY*( 4) B  10           s( 83.47%)p 0.12(  9.73%)d 0.08(  6.81%)
                                            0.0000 -0.0051  0.7822  0.4720  0.0143
                                            0.2128  0.0512  0.2217 -0.0001 -0.0031
                                           -0.1399 -0.0026 -0.0010  0.0713  0.2084
    92. (0.00015) RY*( 5) B  10           s(  0.00%)p 1.00( 42.18%)d 1.37( 57.82%)
                                            0.0000  0.0000  0.0024  0.0028  0.0000
                                            0.0015  0.0001  0.0013  0.0146  0.6493
                                            0.0003  0.7398  0.1758  0.0017  0.0010
    93. (0.00003) RY*( 6) B  10           s( 13.18%)p 0.01(  0.13%)d 6.58( 86.69%)
    94. (0.00004) RY*( 7) B  10           s(  3.15%)p 1.20(  3.77%)d29.59( 93.08%)
    95. (0.00000) RY*( 8) B  10           s(  0.00%)p 1.00( 33.20%)d 2.01( 66.80%)
    96. (0.00001) RY*( 9) B  10           s( 76.24%)p 0.09(  6.94%)d 0.22( 16.81%)
    97. (0.00000) RY*(10) B  10           s(  8.44%)p 0.06(  0.49%)d10.79( 91.07%)
    98. (0.01431) BD*( 1) C   1 - C   2  
                ( 48.40%)   0.6957* C   1 s( 32.30%)p 2.09( 67.66%)d 0.00(  0.04%)
                                            0.0007 -0.5682  0.0135  0.0002 -0.4774
                                            0.0118 -0.6684 -0.0411 -0.0002  0.0000
                                           -0.0143  0.0000  0.0000 -0.0014  0.0144
                ( 51.60%)  -0.7183* C   2 s( 34.48%)p 1.90( 65.48%)d 0.00(  0.04%)
                                           -0.0004 -0.5872  0.0082  0.0000  0.4788
                                            0.0313  0.6516 -0.0053 -0.0001  0.0000
                                           -0.0149  0.0000  0.0000  0.0063  0.0128
    99. (0.01315) BD*( 1) C   1 - H   5  
                ( 36.29%)   0.6024* C   1 s( 30.08%)p 2.32( 69.89%)d 0.00(  0.03%)
                                           -0.0002  0.5484  0.0003 -0.0011 -0.8267
                                            0.0020  0.1240  0.0022 -0.0003  0.0000
                                           -0.0053  0.0000  0.0000  0.0132 -0.0109
                ( 63.71%)  -0.7982* H   5 s( 99.95%)p 0.00(  0.05%)
                                            0.9997  0.0011  0.0230 -0.0028  0.0000
   100. (0.01082) BD*( 1) C   1 - B  10  
                ( 33.23%)   0.5765* C   1 s( 37.47%)p 1.67( 62.50%)d 0.00(  0.02%)
                                            0.0001  0.6121  0.0090  0.0010  0.2962
                                           -0.0363 -0.7321 -0.0029  0.0003  0.0000
                                           -0.0113  0.0000  0.0000 -0.0042 -0.0086
                ( 66.77%)  -0.8171* B  10 s( 47.80%)p 1.09( 52.14%)d 0.00(  0.06%)
                                           -0.0013  0.6911 -0.0199  0.0039 -0.5610
                                           -0.0321  0.4515  0.0424 -0.0001  0.0000
                                           -0.0205  0.0000  0.0000 -0.0066 -0.0133
   101. (0.24315) BD*( 2) C   1 - B  10  
                ( 39.04%)   0.6249* C   1 s(  0.00%)p 1.00( 99.97%)d 0.00(  0.03%)
                                            0.0000  0.0002  0.0000  0.0000  0.0004
                                            0.0000 -0.0001  0.0000 -0.9998  0.0087
                                            0.0000 -0.0160  0.0058  0.0000  0.0000
                ( 60.96%)  -0.7807* B  10 s(  0.00%)p 1.00( 99.93%)d 0.00(  0.07%)
                                            0.0000 -0.0004  0.0000  0.0000  0.0001
                                            0.0000  0.0005 -0.0001 -0.9993  0.0261
                                            0.0000  0.0033 -0.0271  0.0000  0.0000
   102. (0.01476) BD*( 1) C   2 - C   3  
                ( 50.00%)   0.7071* C   2 s( 37.44%)p 1.67( 62.52%)d 0.00(  0.04%)
                                            0.0000  0.6118 -0.0102  0.0004  0.7894
                                            0.0204 -0.0294  0.0269  0.0000  0.0000
                                           -0.0028  0.0000  0.0000  0.0163 -0.0115
                ( 50.00%)  -0.7071* C   3 s( 37.44%)p 1.67( 62.52%)d 0.00(  0.04%)
                                            0.0000  0.6118 -0.0102  0.0004 -0.7894
                                           -0.0204 -0.0294  0.0269  0.0000  0.0000
                                            0.0028  0.0000  0.0000  0.0163 -0.0115
   103. (0.34186) BD*( 2) C   2 - C   3  
                ( 50.00%)   0.7071* C   2 s(  0.00%)p 1.00( 99.97%)d 0.00(  0.03%)
                                            0.0000  0.0001  0.0000  0.0000  0.0000
                                            0.0000 -0.0001  0.0000 -0.9997  0.0138
                                            0.0000 -0.0175  0.0044  0.0000  0.0000
                ( 50.00%)  -0.7071* C   3 s(  0.00%)p 1.00( 99.97%)d 0.00(  0.03%)
                                            0.0000 -0.0001  0.0000  0.0000  0.0000
                                            0.0000  0.0001  0.0000 -0.9997  0.0138
                                            0.0000  0.0175  0.0044  0.0000  0.0000
   104. (0.01357) BD*( 1) C   2 - H   6  
                ( 37.82%)   0.6150* C   2 s( 28.06%)p 2.56( 71.90%)d 0.00(  0.04%)
                                            0.0005 -0.5295 -0.0152  0.0003  0.3817
                                           -0.0058 -0.7571  0.0109  0.0001  0.0000
                                            0.0134  0.0000  0.0000  0.0099  0.0109
                ( 62.18%)  -0.7886* H   6 s( 99.95%)p 0.00(  0.05%)
                                           -0.9997 -0.0020 -0.0103  0.0200  0.0000
   105. (0.01431) BD*( 1) C   3 - C   4  
                ( 51.60%)   0.7183* C   3 s( 34.48%)p 1.90( 65.48%)d 0.00(  0.04%)
                                            0.0004  0.5872 -0.0082  0.0000  0.4788
                                            0.0313 -0.6516  0.0053 -0.0001  0.0000
                                           -0.0149  0.0000  0.0000 -0.0063 -0.0128
                ( 48.40%)  -0.6957* C   4 s( 32.30%)p 2.09( 67.66%)d 0.00(  0.04%)
                                           -0.0007  0.5682 -0.0135 -0.0002 -0.4774
                                            0.0118  0.6684  0.0411 -0.0002  0.0000
                                           -0.0143  0.0000  0.0000  0.0014 -0.0144
   106. (0.01357) BD*( 1) C   3 - H   7  
                ( 37.82%)   0.6150* C   3 s( 28.06%)p 2.56( 71.90%)d 0.00(  0.04%)
                                            0.0005 -0.5295 -0.0152  0.0003 -0.3817
                                            0.0058 -0.7571  0.0109  0.0000  0.0000
                                           -0.0134  0.0000  0.0000  0.0099  0.0109
                ( 62.18%)  -0.7886* H   7 s( 99.95%)p 0.00(  0.05%)
                                           -0.9997 -0.0020  0.0103  0.0200  0.0000
   107. (0.01315) BD*( 1) C   4 - H   8  
                ( 36.29%)   0.6024* C   4 s( 30.08%)p 2.32( 69.89%)d 0.00(  0.03%)
                                            0.0002 -0.5484 -0.0003  0.0011 -0.8267
                                            0.0020 -0.1240 -0.0022 -0.0003  0.0000
                                           -0.0053  0.0000  0.0000 -0.0132  0.0109
                ( 63.71%)  -0.7982* H   8 s( 99.95%)p 0.00(  0.05%)
                                           -0.9997 -0.0011  0.0230  0.0028  0.0000
   108. (0.01082) BD*( 1) C   4 - B   9  
                ( 33.23%)   0.5765* C   4 s( 37.47%)p 1.67( 62.50%)d 0.00(  0.02%)
                                            0.0001  0.6121  0.0090  0.0010 -0.2962
                                            0.0363 -0.7321 -0.0029 -0.0003  0.0000
                                            0.0113  0.0000  0.0000 -0.0042 -0.0086
                ( 66.77%)  -0.8171* B   9 s( 47.80%)p 1.09( 52.14%)d 0.00(  0.06%)
                                           -0.0013  0.6911 -0.0199  0.0039  0.5610
                                            0.0321  0.4515  0.0424  0.0001  0.0000
                                            0.0205  0.0000  0.0000 -0.0066 -0.0133
   109. (0.24315) BD*( 2) C   4 - B   9  
                ( 39.04%)   0.6249* C   4 s(  0.00%)p 1.00( 99.97%)d 0.00(  0.03%)
                                            0.0000 -0.0002  0.0000  0.0000  0.0005
                                            0.0000  0.0001  0.0000 -0.9998  0.0087
                                            0.0000  0.0160  0.0058  0.0000  0.0000
                ( 60.96%)  -0.7807* B   9 s(  0.00%)p 1.00( 99.93%)d 0.00(  0.07%)
                                            0.0000  0.0004  0.0000  0.0000  0.0002
                                            0.0000 -0.0005  0.0001 -0.9993  0.0261
                                            0.0000 -0.0033 -0.0271  0.0000  0.0000
   110. (0.00616) BD*( 1) B   9 - B  10  
                ( 50.00%)   0.7071* B   9 s( 50.68%)p 0.97( 49.29%)d 0.00(  0.03%)
                                            0.0003 -0.7118 -0.0113  0.0022  0.6343
                                            0.0071  0.3008 -0.0036 -0.0003  0.0000
                                           -0.0023  0.0000  0.0000 -0.0162  0.0076
                ( 50.00%)  -0.7071* B  10 s( 50.68%)p 0.97( 49.29%)d 0.00(  0.03%)
                                            0.0003 -0.7118 -0.0113  0.0022 -0.6343
                                           -0.0071  0.3008 -0.0036  0.0004  0.0000
                                            0.0023  0.0000  0.0000 -0.0162  0.0076

 NHO Directionality and "Bond Bending" (deviations from line of nuclear centers)

         [Thresholds for printing:  angular deviation  >  1.0 degree]
                                    hybrid p-character > 25.0%
                                    orbital occupancy  >  0.10e

                                Line of Centers        Hybrid 1              Hybrid 2
                                ---------------  -------------------   ------------------
                NBO               Theta   Phi    Theta   Phi    Dev    Theta   Phi    Dev
 ========================================================================================
     1. BD (   1) C   1 - C   2    90.0   52.8    90.0   56.7   4.0     90.0  231.7   1.1
     3. BD (   1) C   1 - B  10    90.0  303.3    90.0  289.5  13.8     90.0  140.2  16.9
     4. BD (   2) C   1 - B  10    90.0  303.3   180.0    0.0  90.0      0.0    0.0  90.0
     6. BD (   2) C   2 - C   3    90.0    0.0     0.0    0.0  90.0      0.0    0.0  90.0
     8. BD (   1) C   3 - C   4    90.0  307.2    90.0  308.3   1.1     90.0  123.3   4.0
    11. BD (   1) C   4 - B   9    90.0  236.7    90.0  250.5  13.8     90.0   39.8  16.9
    12. BD (   2) C   4 - B   9    90.0  236.7     0.0    0.0  90.0    180.0    0.0  90.0
    13. BD (   1) B   9 - B  10    90.0  180.0    90.0  204.9  24.9     90.0  335.1  24.9
   101. BD*(   2) C   1 - B  10    90.0  303.3   180.0    0.0  90.0      0.0    0.0  90.0
   103. BD*(   2) C   2 - C   3    90.0    0.0     0.0    0.0  90.0      0.0    0.0  90.0
   109. BD*(   2) C   4 - B   9    90.0  236.7     0.0    0.0  90.0    180.0    0.0  90.0

 Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis

     Threshold for printing:   0.50 kcal/mol
                                                                              E(2)  E(j)-E(i) F(i,j)
         Donor NBO (i)                     Acceptor NBO (j)                 kcal/mol   a.u.    a.u. 
 ===================================================================================================

 within unit  1
   1. BD (   1) C   1 - C   2        / 21. LP*(   1) B  10                   15.18    0.67    0.090
   1. BD (   1) C   1 - C   2        / 43. RY*(   2) C   3                    2.17    1.49    0.051
   1. BD (   1) C   1 - C   2        / 88. RY*(   1) B  10                    1.08    1.17    0.032
   1. BD (   1) C   1 - C   2        / 99. BD*(   1) C   1 - H   5            1.23    1.13    0.034
   1. BD (   1) C   1 - C   2        /100. BD*(   1) C   1 - B  10            3.38    1.22    0.058
   1. BD (   1) C   1 - C   2        /102. BD*(   1) C   2 - C   3            2.38    1.25    0.049
   1. BD (   1) C   1 - C   2        /104. BD*(   1) C   2 - H   6            0.78    1.14    0.027
   1. BD (   1) C   1 - C   2        /106. BD*(   1) C   3 - H   7            1.48    1.14    0.037
   1. BD (   1) C   1 - C   2        /110. BD*(   1) B   9 - B  10            0.77    1.14    0.027
   2. BD (   1) C   1 - H   5        / 32. RY*(   1) C   2                    1.02    1.69    0.037
   2. BD (   1) C   1 - H   5        / 89. RY*(   2) B  10                    1.06    1.26    0.033
   2. BD (   1) C   1 - H   5        / 98. BD*(   1) C   1 - C   2            1.24    1.05    0.032
   2. BD (   1) C   1 - H   5        /100. BD*(   1) C   1 - B  10            1.80    1.09    0.040
   2. BD (   1) C   1 - H   5        /102. BD*(   1) C   2 - C   3            3.71    1.12    0.058
   2. BD (   1) C   1 - H   5        /110. BD*(   1) B   9 - B  10            0.80    1.01    0.026
   3. BD (   1) C   1 - B  10        / 20. LP*(   1) B   9                    5.89    0.61    0.054
   3. BD (   1) C   1 - B  10        / 32. RY*(   1) C   2                    1.74    1.77    0.050
   3. BD (   1) C   1 - B  10        / 33. RY*(   2) C   2                    0.70    1.44    0.029
   3. BD (   1) C   1 - B  10        / 78. RY*(   1) B   9                    1.13    1.12    0.032
   3. BD (   1) C   1 - B  10        / 98. BD*(   1) C   1 - C   2            1.91    1.13    0.042
   3. BD (   1) C   1 - B  10        / 99. BD*(   1) C   1 - H   5            3.24    1.08    0.053
   3. BD (   1) C   1 - B  10        /104. BD*(   1) C   2 - H   6            2.87    1.09    0.050
   4. BD (   2) C   1 - B  10        / 34. RY*(   3) C   2                    1.51    1.65    0.048
   4. BD (   2) C   1 - B  10        / 82. RY*(   5) B   9                    0.67    1.23    0.028
   4. BD (   2) C   1 - B  10        /101. BD*(   2) C   1 - B  10            0.50    0.28    0.011
   4. BD (   2) C   1 - B  10        /103. BD*(   2) C   2 - C   3           24.72    0.25    0.071
   4. BD (   2) C   1 - B  10        /109. BD*(   2) C   4 - B   9           14.32    0.28    0.057
   5. BD (   1) C   2 - C   3        / 20. LP*(   1) B   9                    0.74    0.70    0.021
   5. BD (   1) C   2 - C   3        / 21. LP*(   1) B  10                    0.74    0.70    0.021
   5. BD (   1) C   2 - C   3        / 22. RY*(   1) C   1                    1.70    1.60    0.047
   5. BD (   1) C   2 - C   3        / 52. RY*(   1) C   4                    1.70    1.60    0.047
   5. BD (   1) C   2 - C   3        / 98. BD*(   1) C   1 - C   2            2.48    1.21    0.049
   5. BD (   1) C   2 - C   3        / 99. BD*(   1) C   1 - H   5            1.29    1.17    0.035
   5. BD (   1) C   2 - C   3        /104. BD*(   1) C   2 - H   6            1.34    1.18    0.036
   5. BD (   1) C   2 - C   3        /105. BD*(   1) C   3 - C   4            2.48    1.21    0.049
   5. BD (   1) C   2 - C   3        /106. BD*(   1) C   3 - H   7            1.34    1.18    0.036
   5. BD (   1) C   2 - C   3        /107. BD*(   1) C   4 - H   8            1.29    1.17    0.035
   6. BD (   2) C   2 - C   3        / 24. RY*(   3) C   1                    0.85    1.80    0.037
   6. BD (   2) C   2 - C   3        / 54. RY*(   3) C   4                    0.85    1.80    0.037
   6. BD (   2) C   2 - C   3        /101. BD*(   2) C   1 - B  10           10.26    0.31    0.051
   6. BD (   2) C   2 - C   3        /109. BD*(   2) C   4 - B   9           10.26    0.31    0.051
   7. BD (   1) C   2 - H   6        / 23. RY*(   2) C   1                    0.84    1.62    0.033
   7. BD (   1) C   2 - H   6        / 42. RY*(   1) C   3                    1.10    1.67    0.038
   7. BD (   1) C   2 - H   6        /100. BD*(   1) C   1 - B  10            2.98    1.06    0.050
   7. BD (   1) C   2 - H   6        /102. BD*(   1) C   2 - C   3            0.93    1.09    0.029
   7. BD (   1) C   2 - H   6        /105. BD*(   1) C   3 - C   4            5.34    1.02    0.066
   8. BD (   1) C   3 - C   4        / 20. LP*(   1) B   9                   15.18    0.67    0.090
   8. BD (   1) C   3 - C   4        / 33. RY*(   2) C   2                    2.17    1.49    0.051
   8. BD (   1) C   3 - C   4        / 78. RY*(   1) B   9                    1.08    1.17    0.032
   8. BD (   1) C   3 - C   4        /102. BD*(   1) C   2 - C   3            2.38    1.25    0.049
   8. BD (   1) C   3 - C   4        /104. BD*(   1) C   2 - H   6            1.48    1.14    0.037
   8. BD (   1) C   3 - C   4        /106. BD*(   1) C   3 - H   7            0.78    1.14    0.027
   8. BD (   1) C   3 - C   4        /107. BD*(   1) C   4 - H   8            1.23    1.13    0.034
   8. BD (   1) C   3 - C   4        /108. BD*(   1) C   4 - B   9            3.38    1.22    0.058
   8. BD (   1) C   3 - C   4        /110. BD*(   1) B   9 - B  10            0.77    1.14    0.027
   9. BD (   1) C   3 - H   7        / 32. RY*(   1) C   2                    1.10    1.67    0.038
   9. BD (   1) C   3 - H   7        / 53. RY*(   2) C   4                    0.84    1.62    0.033
   9. BD (   1) C   3 - H   7        / 98. BD*(   1) C   1 - C   2            5.34    1.02    0.066
   9. BD (   1) C   3 - H   7        /102. BD*(   1) C   2 - C   3            0.93    1.09    0.029
   9. BD (   1) C   3 - H   7        /108. BD*(   1) C   4 - B   9            2.98    1.06    0.050
  10. BD (   1) C   4 - H   8        / 42. RY*(   1) C   3                    1.02    1.69    0.037
  10. BD (   1) C   4 - H   8        / 79. RY*(   2) B   9                    1.06    1.26    0.033
  10. BD (   1) C   4 - H   8        /102. BD*(   1) C   2 - C   3            3.71    1.12    0.058
  10. BD (   1) C   4 - H   8        /105. BD*(   1) C   3 - C   4            1.24    1.05    0.032
  10. BD (   1) C   4 - H   8        /108. BD*(   1) C   4 - B   9            1.80    1.09    0.040
  10. BD (   1) C   4 - H   8        /110. BD*(   1) B   9 - B  10            0.80    1.01    0.026
  11. BD (   1) C   4 - B   9        / 21. LP*(   1) B  10                    5.89    0.61    0.054
  11. BD (   1) C   4 - B   9        / 42. RY*(   1) C   3                    1.74    1.77    0.050
  11. BD (   1) C   4 - B   9        / 43. RY*(   2) C   3                    0.70    1.44    0.029
  11. BD (   1) C   4 - B   9        / 88. RY*(   1) B  10                    1.13    1.12    0.032
  11. BD (   1) C   4 - B   9        /105. BD*(   1) C   3 - C   4            1.91    1.13    0.042
  11. BD (   1) C   4 - B   9        /106. BD*(   1) C   3 - H   7            2.87    1.09    0.050
  11. BD (   1) C   4 - B   9        /107. BD*(   1) C   4 - H   8            3.24    1.08    0.053
  12. BD (   2) C   4 - B   9        / 44. RY*(   3) C   3                    1.51    1.65    0.048
  12. BD (   2) C   4 - B   9        / 92. RY*(   5) B  10                    0.67    1.23    0.028
  12. BD (   2) C   4 - B   9        /101. BD*(   2) C   1 - B  10           14.32    0.28    0.057
  12. BD (   2) C   4 - B   9        /103. BD*(   2) C   2 - C   3           24.72    0.25    0.071
  12. BD (   2) C   4 - B   9        /109. BD*(   2) C   4 - B   9            0.50    0.28    0.011
  13. BD (   1) B   9 - B  10        / 22. RY*(   1) C   1                    1.03    1.43    0.034
  13. BD (   1) B   9 - B  10        / 52. RY*(   1) C   4                    1.03    1.43    0.034
  13. BD (   1) B   9 - B  10        / 99. BD*(   1) C   1 - H   5            2.31    0.99    0.043
  13. BD (   1) B   9 - B  10        /107. BD*(   1) C   4 - H   8            2.31    0.99    0.043
  14. CR (   1) C   1                / 21. LP*(   1) B  10                    2.18   10.04    0.135
  14. CR (   1) C   1                / 33. RY*(   2) C   2                    1.58   10.87    0.117
  14. CR (   1) C   1                / 62. RY*(   1) H   5                    0.51   10.63    0.066
  14. CR (   1) C   1                / 88. RY*(   1) B  10                    2.32   10.54    0.140
  14. CR (   1) C   1                / 89. RY*(   2) B  10                    1.27   10.77    0.104
  14. CR (   1) C   1                /100. BD*(   1) C   1 - B  10            0.98   10.59    0.091
  14. CR (   1) C   1                /102. BD*(   1) C   2 - C   3            0.88   10.63    0.086
  14. CR (   1) C   1                /110. BD*(   1) B   9 - B  10            0.83   10.51    0.083
  15. CR (   1) C   2                / 22. RY*(   1) C   1                    0.77   10.96    0.082
  15. CR (   1) C   2                / 23. RY*(   2) C   1                    0.75   11.16    0.082
  15. CR (   1) C   2                / 42. RY*(   1) C   3                    0.92   11.21    0.091
  15. CR (   1) C   2                / 43. RY*(   2) C   3                    1.28   10.88    0.106
  15. CR (   1) C   2                /100. BD*(   1) C   1 - B  10            0.92   10.61    0.089
  15. CR (   1) C   2                /105. BD*(   1) C   3 - C   4            1.20   10.57    0.101
  15. CR (   1) C   2                /106. BD*(   1) C   3 - H   7            0.51   10.54    0.066
  16. CR (   1) C   3                / 32. RY*(   1) C   2                    0.92   11.21    0.091
  16. CR (   1) C   3                / 33. RY*(   2) C   2                    1.28   10.88    0.106
  16. CR (   1) C   3                / 52. RY*(   1) C   4                    0.77   10.96    0.082
  16. CR (   1) C   3                / 53. RY*(   2) C   4                    0.75   11.16    0.082
  16. CR (   1) C   3                / 98. BD*(   1) C   1 - C   2            1.20   10.57    0.101
  16. CR (   1) C   3                /104. BD*(   1) C   2 - H   6            0.51   10.54    0.066
  16. CR (   1) C   3                /108. BD*(   1) C   4 - B   9            0.92   10.61    0.089
  17. CR (   1) C   4                / 20. LP*(   1) B   9                    2.18   10.04    0.135
  17. CR (   1) C   4                / 43. RY*(   2) C   3                    1.58   10.87    0.117
  17. CR (   1) C   4                / 74. RY*(   1) H   8                    0.51   10.63    0.066
  17. CR (   1) C   4                / 78. RY*(   1) B   9                    2.32   10.54    0.140
  17. CR (   1) C   4                / 79. RY*(   2) B   9                    1.27   10.77    0.104
  17. CR (   1) C   4                /102. BD*(   1) C   2 - C   3            0.88   10.63    0.086
  17. CR (   1) C   4                /108. BD*(   1) C   4 - B   9            0.98   10.59    0.091
  17. CR (   1) C   4                /110. BD*(   1) B   9 - B  10            0.83   10.51    0.083
  18. CR (   1) B   9                / 20. LP*(   1) B   9                    2.70    6.69    0.123
  18. CR (   1) B   9                / 21. LP*(   1) B  10                    3.89    6.69    0.147
  18. CR (   1) B   9                / 52. RY*(   1) C   4                    1.21    7.59    0.086
  18. CR (   1) B   9                / 88. RY*(   1) B  10                    2.01    7.19    0.107
  18. CR (   1) B   9                /100. BD*(   1) C   1 - B  10            0.59    7.24    0.059
  18. CR (   1) B   9                /107. BD*(   1) C   4 - H   8            2.17    7.15    0.112
  19. CR (   1) B  10                / 20. LP*(   1) B   9                    3.89    6.69    0.147
  19. CR (   1) B  10                / 21. LP*(   1) B  10                    2.70    6.69    0.123
  19. CR (   1) B  10                / 22. RY*(   1) C   1                    1.21    7.59    0.086
  19. CR (   1) B  10                / 78. RY*(   1) B   9                    2.01    7.19    0.107
  19. CR (   1) B  10                / 99. BD*(   1) C   1 - H   5            2.17    7.15    0.112
  19. CR (   1) B  10                /108. BD*(   1) C   4 - B   9            0.59    7.24    0.059
 101. BD*(   2) C   1 - B  10        / 25. RY*(   4) C   1                    1.33    1.05    0.095
 101. BD*(   2) C   1 - B  10        / 90. RY*(   3) B  10                    0.95    1.19    0.086
 103. BD*(   2) C   2 - C   3        / 35. RY*(   4) C   2                    1.63    1.21    0.096
 103. BD*(   2) C   2 - C   3        / 45. RY*(   4) C   3                    1.63    1.21    0.096
 103. BD*(   2) C   2 - C   3        /101. BD*(   2) C   1 - B  10           74.89    0.02    0.070
 103. BD*(   2) C   2 - C   3        /109. BD*(   2) C   4 - B   9           74.89    0.02    0.070
 109. BD*(   2) C   4 - B   9        / 55. RY*(   4) C   4                    1.33    1.05    0.095
 109. BD*(   2) C   4 - B   9        / 80. RY*(   3) B   9                    0.95    1.19    0.086

 Natural Bond Orbitals (Summary):

                                                            Principal Delocalizations
           NBO                        Occupancy    Energy   (geminal,vicinal,remote)
 ====================================================================================
 Molecular unit  1  (C4H4B2)
     1. BD (   1) C   1 - C   2          1.93569    -0.64981  21(v),100(g),102(g),43(v)
                                                    106(v),99(g),88(v),104(g)
                                                    110(v)
     2. BD (   1) C   1 - H   5          1.97307    -0.51996  102(v),100(g),98(g),89(v)
                                                    32(v),110(v)
     3. BD (   1) C   1 - B  10          1.96681    -0.59794  20(v),99(g),104(v),98(g)
                                                    32(v),78(v),33(v)
     4. BD (   2) C   1 - B  10          1.69111    -0.20295  103(v),109(v),34(v),82(v)
     5. BD (   1) C   2 - C   3          1.98317    -0.68412  98(g),105(g),22(v),52(v)
                                                    104(g),106(g),99(v),107(v)
                                                    20(r),21(r)
     6. BD (   2) C   2 - C   3          1.78253    -0.23345  101(v),109(v),24(v),54(v)
     7. BD (   1) C   2 - H   6          1.97123    -0.49361  105(v),100(v),42(v),102(g)
                                                    23(v)
     8. BD (   1) C   3 - C   4          1.93569    -0.64981  20(v),108(g),102(g),33(v)
                                                    104(v),107(g),78(v),106(g)
                                                    110(v)
     9. BD (   1) C   3 - H   7          1.97123    -0.49361  98(v),108(v),32(v),102(g)
                                                    53(v)
    10. BD (   1) C   4 - H   8          1.97307    -0.51996  102(v),108(g),105(g),79(v)
                                                    42(v),110(v)
    11. BD (   1) C   4 - B   9          1.96681    -0.59793  21(v),107(g),106(v),105(g)
                                                    42(v),88(v),43(v)
    12. BD (   2) C   4 - B   9          1.69111    -0.20295  103(v),101(v),44(v),92(v)
    13. BD (   1) B   9 - B  10          1.98877    -0.50728  99(v),107(v),22(v),52(v)
    14. CR (   1) C   1                  1.99876   -10.02672  88(v),21(v),33(v),89(v)
                                                    100(g),102(v),110(v),62(v)
    15. CR (   1) C   2                  1.99911   -10.04156  43(v),105(v),100(v),42(v)
                                                    22(v),23(v),106(v)
    16. CR (   1) C   3                  1.99911   -10.04156  33(v),98(v),108(v),32(v)
                                                    52(v),53(v),104(v)
    17. CR (   1) C   4                  1.99876   -10.02672  78(v),20(v),43(v),79(v)
                                                    108(g),102(v),110(v),74(v)
    18. CR (   1) B   9                  1.99775    -6.67051  21(v),20(g),107(v),88(v)
                                                    52(v),100(v)
    19. CR (   1) B  10                  1.99775    -6.67051  20(v),21(g),99(v),78(v)
                                                    22(v),108(v)
    20. LP*(   1) B   9                  0.08869     0.01540   
    21. LP*(   1) B  10                  0.08869     0.01540   
    22. RY*(   1) C   1                  0.00343     0.92014   
    23. RY*(   2) C   1                  0.00202     1.12189   
    24. RY*(   3) C   1                  0.00053     1.56359   
    25. RY*(   4) C   1                  0.00021     1.12355   
    26. RY*(   5) C   1                  0.00019     1.29971   
    27. RY*(   6) C   1                  0.00004     2.40859   
    28. RY*(   7) C   1                  0.00001     2.51220   
    29. RY*(   8) C   1                  0.00000     4.08413   
    30. RY*(   9) C   1                  0.00000     1.85187   
    31. RY*(  10) C   1                  0.00001     2.36345   
    32. RY*(   1) C   2                  0.00465     1.17146   
    33. RY*(   2) C   2                  0.00314     0.83935   
    34. RY*(   3) C   2                  0.00102     1.44715   
    35. RY*(   4) C   2                  0.00060     1.25663   
    36. RY*(   5) C   2                  0.00018     1.85788   
    37. RY*(   6) C   2                  0.00014     1.74658   
    38. RY*(   7) C   2                  0.00004     3.31128   
    39. RY*(   8) C   2                  0.00002     2.46587   
    40. RY*(   9) C   2                  0.00000     1.79389   
    41. RY*(  10) C   2                  0.00000     3.00274   
    42. RY*(   1) C   3                  0.00465     1.17146   
    43. RY*(   2) C   3                  0.00314     0.83935   
    44. RY*(   3) C   3                  0.00102     1.44717   
    45. RY*(   4) C   3                  0.00060     1.25661   
    46. RY*(   5) C   3                  0.00018     1.85791   
    47. RY*(   6) C   3                  0.00014     1.74655   
    48. RY*(   7) C   3                  0.00004     3.31131   
    49. RY*(   8) C   3                  0.00002     2.46586   
    50. RY*(   9) C   3                  0.00000     1.79389   
    51. RY*(  10) C   3                  0.00000     3.00273   
    52. RY*(   1) C   4                  0.00343     0.92014   
    53. RY*(   2) C   4                  0.00202     1.12189   
    54. RY*(   3) C   4                  0.00053     1.56358   
    55. RY*(   4) C   4                  0.00021     1.12356   
    56. RY*(   5) C   4                  0.00019     1.29971   
    57. RY*(   6) C   4                  0.00004     2.40858   
    58. RY*(   7) C   4                  0.00001     2.51220   
    59. RY*(   8) C   4                  0.00000     4.08414   
    60. RY*(   9) C   4                  0.00000     1.85187   
    61. RY*(  10) C   4                  0.00001     2.36345   
    62. RY*(   1) H   5                  0.00073     0.60078   
    63. RY*(   2) H   5                  0.00015     2.23260   
    64. RY*(   3) H   5                  0.00011     2.43078   
    65. RY*(   4) H   5                  0.00001     3.01485   
    66. RY*(   1) H   6                  0.00107     0.59834   
    67. RY*(   2) H   6                  0.00016     2.24150   
    68. RY*(   3) H   6                  0.00007     2.54604   
    69. RY*(   4) H   6                  0.00002     3.02237   
    70. RY*(   1) H   7                  0.00107     0.59834   
    71. RY*(   2) H   7                  0.00016     2.24150   
    72. RY*(   3) H   7                  0.00007     2.54604   
    73. RY*(   4) H   7                  0.00002     3.02237   
    74. RY*(   1) H   8                  0.00073     0.60078   
    75. RY*(   2) H   8                  0.00015     2.23260   
    76. RY*(   3) H   8                  0.00011     2.43078   
    77. RY*(   4) H   8                  0.00001     3.01485   
    78. RY*(   1) B   9                  0.00335     0.51731   
    79. RY*(   2) B   9                  0.00113     0.74336   
    80. RY*(   3) B   9                  0.00073     1.26141   
    81. RY*(   4) B   9                  0.00016     0.83080   
    82. RY*(   5) B   9                  0.00015     1.02296   
    83. RY*(   6) B   9                  0.00003     1.92661   
    84. RY*(   7) B   9                  0.00004     1.90634   
    85. RY*(   8) B   9                  0.00000     1.11463   
    86. RY*(   9) B   9                  0.00001     2.80622   
    87. RY*(  10) B   9                  0.00000     1.69229   
    88. RY*(   1) B  10                  0.00335     0.51731   
    89. RY*(   2) B  10                  0.00113     0.74335   
    90. RY*(   3) B  10                  0.00073     1.26141   
    91. RY*(   4) B  10                  0.00016     0.83080   
    92. RY*(   5) B  10                  0.00015     1.02296   
    93. RY*(   6) B  10                  0.00003     1.92662   
    94. RY*(   7) B  10                  0.00004     1.90634   
    95. RY*(   8) B  10                  0.00000     1.11464   
    96. RY*(   9) B  10                  0.00001     2.80621   
    97. RY*(  10) B  10                  0.00000     1.69229   
    98. BD*(   1) C   1 - C   2          0.01431     0.53020   
    99. BD*(   1) C   1 - H   5          0.01315     0.48335   
   100. BD*(   1) C   1 - B  10          0.01082     0.56555   
   101. BD*(   2) C   1 - B  10          0.24315     0.07448  109(v),103(v),25(g),90(g)
   102. BD*(   1) C   2 - C   3          0.01476     0.60100   
   103. BD*(   2) C   2 - C   3          0.34186     0.05067  109(v),101(v),35(g),45(g)
   104. BD*(   1) C   2 - H   6          0.01357     0.49465   
   105. BD*(   1) C   3 - C   4          0.01431     0.53020   
   106. BD*(   1) C   3 - H   7          0.01357     0.49465   
   107. BD*(   1) C   4 - H   8          0.01315     0.48335   
   108. BD*(   1) C   4 - B   9          0.01082     0.56555   
   109. BD*(   2) C   4 - B   9          0.24315     0.07448  101(v),103(v),55(g),80(g)
   110. BD*(   1) B   9 - B  10          0.00616     0.48744   
       -------------------------------
              Total Lewis   36.82152  ( 96.8987%)
        Valence non-Lewis    1.13015  (  2.9741%)
        Rydberg non-Lewis    0.04833  (  0.1272%)
       -------------------------------
            Total unit  1   38.00000  (100.0000%)
           Charge unit  1    0.00000
 Calling FoFJK, ICntrl=    100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 Full mass-weighted force constant matrix:
 Low frequencies ---  -14.4162  -11.7830   -8.2311   -0.0007   -0.0006   -0.0005
 Low frequencies ---    5.8042  260.4068  379.7831
 ******    1 imaginary frequencies (negative Signs) ****** 
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 and normal coordinates:
                     1                      2                      3
                     A                      A                      A
 Frequencies --   -14.1487               260.4067               379.7831
 Red. masses --     4.4878                 2.9354                 7.2754
 Frc consts  --     0.0005                 0.1173                 0.6183
 IR Inten    --     0.0004                 5.3442                 5.9356
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.10     0.00   0.00   0.23     0.39   0.02   0.00
     2   6     0.00   0.00   0.01     0.00   0.00  -0.10     0.01   0.24   0.00
     3   6     0.00   0.00  -0.01     0.00   0.00  -0.10    -0.01   0.24   0.00
     4   6     0.00   0.00  -0.10     0.00   0.00   0.23    -0.39   0.02   0.00
     5   1     0.00   0.00   0.56     0.00   0.00   0.51     0.34  -0.20   0.00
     6   1     0.00   0.00   0.11     0.00   0.00  -0.38    -0.16   0.15   0.00
     7   1     0.00   0.00  -0.11     0.00   0.00  -0.38     0.16   0.15   0.00
     8   1     0.00   0.00  -0.56     0.00   0.00   0.51    -0.34  -0.20   0.00
     9   5     0.00   0.00   0.40     0.00   0.00  -0.16    -0.04  -0.28   0.00
    10   5     0.00   0.00  -0.40     0.00   0.00  -0.16     0.04  -0.28   0.00
                     4                      5                      6
                     A                      A                      A
 Frequencies --   468.8489               549.0094               627.5744
 Red. masses --     8.8145                 3.4387                 1.3977
 Frc consts  --     1.1416                 0.6107                 0.3243
 IR Inten    --     7.6840                 0.0001                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.14   0.00     0.00   0.00  -0.12     0.00   0.00  -0.11
     2   6    -0.20   0.15   0.00     0.00   0.00   0.31     0.00   0.00  -0.04
     3   6    -0.20  -0.15   0.00     0.00   0.00  -0.31     0.00   0.00   0.04
     4   6    -0.09  -0.14   0.00     0.00   0.00   0.12     0.00   0.00   0.11
     5   1    -0.14  -0.20   0.00     0.00   0.00  -0.26     0.00   0.00   0.62
     6   1    -0.04   0.23   0.00     0.00   0.00   0.57     0.00   0.00   0.31
     7   1    -0.04  -0.23   0.00     0.00   0.00  -0.57     0.00   0.00  -0.31
     8   1    -0.14   0.20   0.00     0.00   0.00   0.26     0.00   0.00  -0.62
     9   5     0.34  -0.42   0.00     0.00   0.00   0.04     0.00   0.00  -0.06
    10   5     0.34   0.42   0.00     0.00   0.00  -0.04     0.00   0.00   0.06
                     7                      8                      9
                     A                      A                      A
 Frequencies --   638.2659               770.8914               836.7811
 Red. masses --     1.1504                 5.3828                 1.4216
 Frc consts  --     0.2761                 1.8847                 0.5865
 IR Inten    --    79.2926                 6.6846                24.0950
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.02     0.22   0.07   0.00     0.00   0.00  -0.11
     2   6     0.00   0.00   0.08    -0.18   0.29   0.00     0.00   0.00   0.07
     3   6     0.00   0.00   0.08    -0.18  -0.29   0.00     0.00   0.00   0.07
     4   6     0.00   0.00   0.02     0.22  -0.07   0.00     0.00   0.00  -0.11
     5   1     0.00   0.00  -0.43     0.13  -0.37   0.00     0.00   0.00   0.58
     6   1     0.00   0.00  -0.56     0.00   0.38   0.00     0.00   0.00  -0.38
     7   1     0.00   0.00  -0.56     0.00  -0.38   0.00     0.00   0.00  -0.38
     8   1     0.00   0.00  -0.43     0.13   0.37   0.00     0.00   0.00   0.58
     9   5     0.00   0.00  -0.02    -0.05   0.17   0.00     0.00   0.00   0.02
    10   5     0.00   0.00  -0.02    -0.05  -0.17   0.00     0.00   0.00   0.02
                    10                     11                     12
                     A                      A                      A
 Frequencies --   927.7701               928.6657               940.2701
 Red. masses --     1.2884                 5.1454                 2.1916
 Frc consts  --     0.6534                 2.6145                 1.1416
 IR Inten    --     0.0003                 0.5043                 5.0903
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.05    -0.19   0.08   0.00     0.10   0.12   0.00
     2   6     0.00   0.00  -0.10    -0.02   0.11   0.00     0.08  -0.15   0.00
     3   6     0.00   0.00   0.10     0.02   0.11   0.00    -0.08  -0.15   0.00
     4   6     0.00   0.00  -0.05     0.19   0.08   0.00    -0.10   0.12   0.00
     5   1     0.00   0.00  -0.29    -0.14   0.51   0.01     0.19   0.60   0.00
     6   1     0.00   0.00   0.64     0.01   0.14  -0.03     0.21  -0.10   0.00
     7   1     0.00   0.00  -0.64    -0.01   0.14   0.03    -0.21  -0.10   0.00
     8   1     0.00   0.00   0.29     0.14   0.51  -0.01    -0.19   0.60   0.00
     9   5     0.00   0.00   0.01     0.27  -0.27   0.00     0.02  -0.01   0.00
    10   5     0.00   0.00  -0.01    -0.27  -0.27   0.00    -0.02  -0.01   0.00
                    13                     14                     15
                     A                      A                      A
 Frequencies --  1097.1735              1160.6360              1167.6003
 Red. masses --     1.4591                 1.2566                 1.8271
 Frc consts  --     1.0349                 0.9973                 1.4675
 IR Inten    --     2.2820                18.0303                28.0298
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.05   0.00     0.00  -0.09   0.00     0.10   0.04   0.00
     2   6    -0.08  -0.05   0.00    -0.02   0.04   0.00     0.01  -0.08   0.00
     3   6    -0.08   0.05   0.00     0.02   0.04   0.00     0.01   0.08   0.00
     4   6     0.09  -0.05   0.00     0.00  -0.09   0.00     0.10  -0.04   0.00
     5   1     0.18   0.54   0.00     0.10   0.47   0.00     0.01  -0.59   0.00
     6   1    -0.35  -0.19   0.00    -0.47  -0.19   0.00    -0.25  -0.21   0.00
     7   1    -0.35   0.19   0.00     0.47  -0.19   0.00    -0.25   0.21   0.00
     8   1     0.18  -0.54   0.00    -0.10   0.47   0.00     0.01   0.59   0.00
     9   5     0.00  -0.01   0.00    -0.03   0.03   0.00    -0.10  -0.11   0.00
    10   5     0.00   0.01   0.00     0.03   0.03   0.00    -0.10   0.11   0.00
                    16                     17                     18
                     A                      A                      A
 Frequencies --  1264.3069              1344.4135              1409.6751
 Red. masses --     2.4604                 3.0030                 3.6807
 Frc consts  --     2.3172                 3.1979                 4.3094
 IR Inten    --     3.0083                 0.0007                 1.1375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.17   0.00     0.07  -0.02   0.00     0.00   0.23   0.00
     2   6    -0.16  -0.09   0.00     0.14  -0.01   0.00    -0.10  -0.20   0.00
     3   6     0.16  -0.09   0.00    -0.14  -0.01   0.00    -0.10   0.20   0.00
     4   6     0.00   0.17   0.00    -0.07  -0.02   0.00     0.00  -0.23   0.00
     5   1    -0.07  -0.23   0.00     0.03  -0.36   0.00    -0.08  -0.19   0.00
     6   1    -0.55  -0.28   0.00    -0.41  -0.31   0.00     0.56   0.13   0.00
     7   1     0.55  -0.28   0.00     0.41  -0.31   0.00     0.56  -0.13   0.00
     8   1     0.07  -0.23   0.00    -0.03  -0.36   0.00    -0.08   0.19   0.00
     9   5    -0.02  -0.05   0.00     0.25   0.09   0.00     0.07   0.13   0.00
    10   5     0.02  -0.05   0.00    -0.25   0.09   0.00     0.07  -0.13   0.00
                    19                     20                     21
                     A                      A                      A
 Frequencies --  1432.6648              1586.2828              3150.1886
 Red. masses --     2.0504                 5.1647                 1.0834
 Frc consts  --     2.4796                 7.6570                 6.3346
 IR Inten    --     0.6237                 0.0721                 4.2101
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.12   0.00    -0.13   0.11   0.00    -0.01   0.00   0.00
     2   6    -0.08  -0.06   0.00     0.32   0.04   0.00     0.03  -0.05   0.00
     3   6    -0.08   0.06   0.00    -0.32   0.04   0.00     0.03   0.05   0.00
     4   6     0.09   0.12   0.00     0.13   0.11   0.00    -0.01   0.00   0.00
     5   1     0.15   0.16   0.00    -0.21  -0.20   0.00     0.08  -0.01   0.00
     6   1     0.57   0.27   0.00    -0.35  -0.32   0.00    -0.32   0.62   0.00
     7   1     0.57  -0.27   0.00     0.35  -0.32   0.00    -0.32  -0.62   0.00
     8   1     0.15  -0.16   0.00     0.21  -0.20   0.00     0.08   0.01   0.00
     9   5    -0.07  -0.11   0.00    -0.21  -0.12   0.00     0.00   0.00   0.00
    10   5    -0.07   0.11   0.00     0.21  -0.12   0.00     0.00   0.00   0.00
                    22                     23                     24
                     A                      A                      A
 Frequencies --  3169.4217              3215.0406              3216.4556
 Red. masses --     1.0911                 1.0917                 1.0920
 Frc consts  --     6.4578                 6.6486                 6.6562
 IR Inten    --    17.5593                 0.0352                 0.0000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.00    -0.06   0.01   0.00    -0.06   0.01   0.00
     2   6     0.03  -0.05   0.00     0.00   0.01   0.00     0.00   0.01   0.00
     3   6    -0.03  -0.05   0.00     0.00  -0.01   0.00     0.00   0.01   0.00
     4   6     0.01   0.00   0.00    -0.06  -0.01   0.00     0.06   0.01   0.00
     5   1     0.11  -0.02   0.00     0.69  -0.12   0.00     0.69  -0.11   0.00
     6   1    -0.32   0.62   0.00     0.04  -0.07   0.00     0.05  -0.10   0.00
     7   1     0.32   0.62   0.00     0.04   0.07   0.00    -0.05  -0.10   0.00
     8   1    -0.11  -0.02   0.00     0.69   0.12   0.00    -0.69  -0.11   0.00
     9   5     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   5     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  1 and mass   1.00783
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  5 and mass  11.00931
 Atom    10 has atomic number  5 and mass  11.00931
 Molecular mass:    74.04991 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   255.50653 360.09411 615.60061
           X            1.00000   0.00000   0.00003
           Y            0.00000   1.00000   0.00000
           Z           -0.00003   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.33899     0.24053     0.14070
 Rotational constants (GHZ):           7.06339     5.01186     2.93168
    1 imaginary frequencies ignored.
 Zero-point vibrational energy     182682.5 (Joules/Mol)
                                   43.66216 (Kcal/Mol)
 Warning -- explicit consideration of   4 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    374.67   546.42   674.57   789.90   902.94
          (Kelvin)            918.32  1109.14  1203.94  1334.85  1336.14
                             1352.84  1578.59  1669.89  1679.91  1819.05
                             1934.31  2028.21  2061.28  2282.30  4532.41
                             4560.09  4625.72  4627.76
 
 Zero-point correction=                           0.069580 (Hartree/Particle)
 Thermal correction to Energy=                    0.074340
 Thermal correction to Enthalpy=                  0.075285
 Thermal correction to Gibbs Free Energy=         0.041941
 Sum of electronic and zero-point Energies=           -204.301107
 Sum of electronic and thermal Energies=              -204.296347
 Sum of electronic and thermal Enthalpies=            -204.295403
 Sum of electronic and thermal Free Energies=         -204.328746
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   46.649             17.560             70.177
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.823
 Rotational               0.889              2.981             25.541
 Vibrational             44.872             11.598              5.814
 Vibration     1          0.668              1.745              1.659
 Vibration     2          0.750              1.513              1.040
 Vibration     3          0.826              1.319              0.741
 Vibration     4          0.904              1.142              0.546
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.510950D-19        -19.291621        -44.420600
 Total V=0       0.516329D+13         12.712927         29.272596
 Vib (Bot)       0.239459D-31        -31.620768        -72.809510
 Vib (Bot)    1  0.745729D+00         -0.127419         -0.293393
 Vib (Bot)    2  0.476148D+00         -0.322258         -0.742026
 Vib (Bot)    3  0.360111D+00         -0.443563         -1.021343
 Vib (Bot)    4  0.286118D+00         -0.543454         -1.251349
 Vib (V=0)       0.241980D+01          0.383780          0.883686
 Vib (V=0)    1  0.139784D+01          0.145457          0.334926
 Vib (V=0)    2  0.119045D+01          0.075710          0.174329
 Vib (V=0)    3  0.111618D+01          0.047735          0.109914
 Vib (V=0)    4  0.107608D+01          0.031843          0.073321
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.250462D+08          7.398742         17.036233
 Rotational      0.851932D+05          4.930405         11.352677
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000108619   -0.000001021    0.000038185
      2        6          -0.000006934    0.000000331    0.000022637
      3        6          -0.000020577    0.000001072    0.000013397
      4        6          -0.000008026    0.000000215    0.000114211
      5        1          -0.000004606    0.000000720    0.000036046
      6        1           0.000001362   -0.000000228   -0.000029720
      7        1           0.000028341   -0.000000827   -0.000009190
      8        1          -0.000033396    0.000000172    0.000013779
      9        5          -0.000096544   -0.000000431   -0.000231085
     10        5           0.000248999   -0.000000003    0.000031740
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000248999 RMS     0.000072494
 -----------------------------------------------------------------------------------------------
                       Internal Coordinate Forces (Hartree/Bohr or radian)
  Cent   Atom   N1       Length/X         N2         Alpha/Y        N3         Beta/Z          J
 -----------------------------------------------------------------------------------------------
      1  C 
      2  C        1  -0.000106(     1)
      3  C        2  -0.000163(     2)      1  -0.000659(    10)
      4  C        3  -0.000105(     3)      2  -0.000605(    11)      1  -0.000001(    18)     0
      5  H        1  -0.000013(     4)      2  -0.000069(    12)      3   0.000001(    19)     0
      6  H        2  -0.000014(     5)      1  -0.000054(    13)      3   0.000000(    20)     0
      7  H        3  -0.000014(     6)      2   0.000054(    14)      1   0.000002(    21)     0
      8  H        4  -0.000013(     7)      3  -0.000069(    15)      2   0.000000(    22)     0
      9  B        4   0.000224(     8)      3  -0.000303(    16)      2  -0.000001(    23)     0
     10  B        1   0.000224(     9)      2  -0.000306(    17)      3   0.000000(    24)     0
 -----------------------------------------------------------------------------------------------
 Internal  Forces:  Max     0.000658596 RMS     0.000218941

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Search for a local minimum.
 Step number   1 out of a maximum of    2
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Second derivative matrix not updated -- analytic derivatives used.
 ITU=  0
     Eigenvalues ---    0.00009   0.02683   0.03444   0.07031   0.08616
     Eigenvalues ---    0.09291   0.11414   0.14594   0.16307   0.17969
     Eigenvalues ---    0.18889   0.23287   0.30229   0.32288   0.34976
     Eigenvalues ---    0.35335   0.36482   0.37000   0.38911   0.41965
     Eigenvalues ---    0.44386   0.47793   0.89196  14.82500
 Angle between quadratic step and forces=  85.60 degrees.
 Linear search not attempted -- first point.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    B1        2.71553  -0.00011   0.00000  -0.00018  -0.00018   2.71535
    B2        2.63364  -0.00016   0.00000   0.00001   0.00001   2.63365
    B3        2.71553  -0.00011   0.00000  -0.00018  -0.00018   2.71535
    B4        2.04835  -0.00001   0.00000  -0.00002  -0.00002   2.04833
    B5        2.05662  -0.00001   0.00000  -0.00004  -0.00004   2.05657
    B6        2.05662  -0.00001   0.00000  -0.00004  -0.00004   2.05657
    B7        2.04835  -0.00001   0.00000  -0.00002  -0.00002   2.04833
    B8        2.70365   0.00022   0.00000   0.00045   0.00045   2.70409
    B9        2.70365   0.00022   0.00000   0.00045   0.00045   2.70409
    A1        2.22057  -0.00066   0.00000  -0.00016  -0.00016   2.22041
    A2        2.22057  -0.00060   0.00000  -0.00016  -0.00016   2.22041
    A3        2.06638  -0.00007   0.00000  -0.00037  -0.00037   2.06601
    A4        2.02226  -0.00005   0.00000  -0.00014  -0.00014   2.02212
    A5        2.04036   0.00005   0.00000   0.00030   0.00030   2.04065
    A6        2.06638  -0.00007   0.00000  -0.00036  -0.00036   2.06601
    A7        1.91105  -0.00030   0.00000   0.00033   0.00033   1.91138
    A8        1.91105  -0.00031   0.00000   0.00033   0.00033   1.91138
    D1       -0.00013   0.00000   0.00000  -0.00054  -0.00054  -0.00067
    D2       -3.14118   0.00000   0.00000   0.00189   0.00189  -3.13929
    D3        3.14143   0.00000   0.00000  -0.00064  -0.00064   3.14079
    D4       -3.14159   0.00000   0.00000   0.00014   0.00014  -3.14145
    D5       -3.14114   0.00000   0.00000   0.00185   0.00185  -3.13929
    D6        0.00041   0.00000   0.00000   0.00160   0.00160   0.00202
    D7        0.00037   0.00000   0.00000   0.00164   0.00164   0.00201
         Item               Value     Threshold  Converged?
 Maximum Force            0.000659     0.000450     NO 
 RMS     Force            0.000219     0.000300     YES
 Maximum Displacement     0.001893     0.001800     NO 
 RMS     Displacement     0.000767     0.001200     YES
 Predicted change in Energy=-1.545157D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 1\1\GINC-CX1-7-36-1\Freq\RB3LYP\6-31G(d,p)\C4H4B2\SCAN-USER-1\12-Mar-2
 011\1\\# freq b3lyp/6-31g(d,p) geom=connectivity pop=(full,nbo)\\dibor
 abenzene frequency 6-31G (d,p)\\0,1\C\C,1,B1\C,2,B2,1,A1\C,3,B3,2,A2,1
 ,D1,0\H,1,B4,2,A3,3,D2,0\H,2,B5,1,A4,3,D3,0\H,3,B6,2,A5,1,D4,0\H,4,B7,
 3,A6,2,D5,0\B,4,B8,3,A7,2,D6,0\B,1,B9,2,A8,3,D7,0\\B1=1.43699809\B2=1.
 393663\B3=1.43699767\B4=1.08393924\B5=1.08831466\B6=1.08831467\B7=1.08
 393925\B8=1.43070911\B9=1.4307086\A1=127.22927718\A2=127.22943619\A3=1
 18.39475575\A4=115.86672198\A5=116.90387139\A6=118.39466813\A7=109.494
 82616\A8=109.49506126\D1=-0.00757063\D2=-179.97657152\D3=179.99062068\
 D4=-180.\D5=-179.97412207\D6=0.02359014\D7=0.02130193\\Version=EM64L-G
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 NOT WHAT WE DID SHALL BE THE TEST
 WHEN ACT AND WILL ARE DONE,
 BUT WHAT OUR LORD INFERS WE WOULD-
 HAD WE DIVINER BEEN.
           EMILY DICKINSON  POEMS NO. CLXXV
 Job cpu time:  0 days  0 hours  3 minutes 51.0 seconds.
 File lengths (MBytes):  RWF=     18 Int=      0 D2E=      0 Chk=      2 Scr=      1
 Normal termination of Gaussian 09 at Sat Mar 12 13:56:15 2011.