Entering Gaussian System, Link 0=g09
 Input=pyrazine_MP5.inp
 Output=pyrazine_MP5.out
 Initial command:
 /share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/1145420/Gau-20047.inp" -scrdir="/mnt/beegfs/tmpdir/1145420/"
 Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID=     20048.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
            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:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 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 D.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, 2013.
 
 ******************************************
 Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
                 5-Nov-2020 
 ******************************************
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=120gb
 -------------------------------
 #p MP5/cc-pvdz pop=full unit=au
 -------------------------------
 1/20=1,38=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=16,11=2,16=1,25=1,30=1,116=2/1,2,3;
 4//1;
 5/5=2,38=5/2;
 8/6=5,10=1/1,4;
 9/5=5/16,15;
 6/7=3/1;
 99/5=1,9=1/99;
 Leave Link    1 at Thu Nov  5 15:56:45 2020, MaxMem= 16106127360 cpu:         0.4
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
 --------
 pyrazine
 --------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                     0.        2.13189   1.31511 
 C                     0.       -2.13189   1.31511 
 C                     0.        2.13189  -1.31511 
 C                     0.       -2.13189  -1.31511 
 N                     0.        0.        2.6662 
 N                     0.        0.       -2.6662 
 H                     0.        3.88751   2.35234 
 H                     0.       -3.88751   2.35234 
 H                     0.        3.88751  -2.35234 
 H                     0.       -3.88751  -2.35234 
 
 NAtoms=     10 NQM=       10 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          14          14           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           2           2           1           1           1           1
 AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Leave Link  101 at Thu Nov  5 15:56:45 2020, MaxMem= 16106127360 cpu:         0.4
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.000000    1.128146    0.695926
      2          6           0        0.000000   -1.128146    0.695926
      3          6           0        0.000000    1.128146   -0.695926
      4          6           0        0.000000   -1.128146   -0.695926
      5          7           0        0.000000    0.000000    1.410893
      6          7           0        0.000000    0.000000   -1.410893
      7          1           0        0.000000    2.057184    1.244806
      8          1           0        0.000000   -2.057184    1.244806
      9          1           0        0.000000    2.057184   -1.244806
     10          1           0        0.000000   -2.057184   -1.244806
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    2.256292   0.000000
     3  C    1.391851   2.651057   0.000000
     4  C    2.651057   1.391851   2.256292   0.000000
     5  N    1.335624   1.335624   2.389853   2.389853   0.000000
     6  N    2.389853   2.389853   1.335624   1.335624   2.821786
     7  H    1.079065   3.232274   2.151639   3.729982   2.063878
     8  H    3.232274   1.079065   3.729982   2.151639   2.063878
     9  H    2.151639   3.729982   1.079065   3.232274   3.359277
    10  H    3.729982   2.151639   3.232274   1.079065   3.359277
                    6          7          8          9         10
     6  N    0.000000
     7  H    3.359277   0.000000
     8  H    3.359277   4.114368   0.000000
     9  H    2.063878   2.489612   4.808970   0.000000
    10  H    2.063878   4.808970   2.489612   4.114368   0.000000
 Stoichiometry    C4H4N2
 Framework group  D2H[C2"(N.N),SG(C4H4)]
 Deg. of freedom     5
 Full point group                 D2H     NOp   8
 Largest Abelian subgroup         D2H     NOp   8
 Largest concise Abelian subgroup D2      NOp   4
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.000000    1.128146    0.695926
      2          6           0        0.000000   -1.128146    0.695926
      3          6           0        0.000000    1.128146   -0.695926
      4          6           0        0.000000   -1.128146   -0.695926
      5          7           0        0.000000    0.000000    1.410893
      6          7           0        0.000000    0.000000   -1.410893
      7          1           0        0.000000    2.057184    1.244806
      8          1           0        0.000000   -2.057184    1.244806
      9          1           0        0.000000    2.057184   -1.244806
     10          1           0        0.000000   -2.057184   -1.244806
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      6.4667223      5.9286710      3.0930095
 Leave Link  202 at Thu Nov  5 15:56:45 2020, MaxMem= 16106127360 cpu:         0.1
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe)
 Standard basis: CC-pVDZ (5D, 7F)
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  12 primitive shells out of 152 were deleted.
 There are    23 symmetry adapted cartesian basis functions of AG  symmetry.
 There are     6 symmetry adapted cartesian basis functions of B1G symmetry.
 There are     8 symmetry adapted cartesian basis functions of B2G symmetry.
 There are    18 symmetry adapted cartesian basis functions of B3G symmetry.
 There are     6 symmetry adapted cartesian basis functions of AU  symmetry.
 There are    23 symmetry adapted cartesian basis functions of B1U symmetry.
 There are    18 symmetry adapted cartesian basis functions of B2U symmetry.
 There are     8 symmetry adapted cartesian basis functions of B3U symmetry.
 There are    21 symmetry adapted basis functions of AG  symmetry.
 There are     6 symmetry adapted basis functions of B1G symmetry.
 There are     8 symmetry adapted basis functions of B2G symmetry.
 There are    17 symmetry adapted basis functions of B3G symmetry.
 There are     6 symmetry adapted basis functions of AU  symmetry.
 There are    21 symmetry adapted basis functions of B1U symmetry.
 There are    17 symmetry adapted basis functions of B2U symmetry.
 There are     8 symmetry adapted basis functions of B3U symmetry.
   104 basis functions,   226 primitive gaussians,   110 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       209.0820443772 Hartrees.
 IExCor=    0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 NAtoms=   10 NActive=   10 NUniq=    3 SFac= 4.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Nov  5 15:56:46 2020, MaxMem= 16106127360 cpu:         0.3
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   104 RedAO= T EigKep=  1.37D-03  NBF=    21     6     8    17     6    21    17     8
 NBsUse=   104 1.00D-06 EigRej= -1.00D+00 NBFU=    21     6     8    17     6    21    17     8
 Leave Link  302 at Thu Nov  5 15:56:46 2020, MaxMem= 16106127360 cpu:         1.3
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Thu Nov  5 15:56:47 2020, MaxMem= 16106127360 cpu:         0.2
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
 ExpMin= 1.22D-01 ExpMax= 9.05D+03 ExpMxC= 3.09D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 Harris functional with IExCor=  205 and IRadAn=       1 diagonalized for initial guess.
 HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 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
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Harris En= -262.928285299370    
 JPrj=0 DoOrth=F DoCkMO=F.
 Initial guess orbital symmetries:
 Alpha Orbitals:
       Occupied  (B1U) (AG) (AG) (B2U) (B1U) (B3G) (AG) (B1U) (B2U)
                 (AG) (B3G) (B2U) (AG) (B1U) (B2U) (B3U) (B3G)
                 (B2G) (B1U) (B1G) (AG)
       Virtual   (B3U) (AU) (B2G) (AG) (B2U) (AG) (B1U) (B3G) (B2U)
                 (B3G) (B1U) (B1U) (B3G) (B2U) (AG) (B3U) (B2U)
                 (AG) (B1G) (AG) (B2G) (B1U) (B3G) (AU) (B3G) (B1U)
                 (B2U) (AG) (B3U) (B3U) (AG) (B1U) (B2G) (B1U)
                 (B2U) (B1G) (B3G) (B1G) (B1U) (B3G) (AU) (B2U)
                 (B3U) (B2G) (AG) (B3G) (AG) (B2U) (AG) (AU) (B3G)
                 (B1U) (AG) (B2U) (B1U) (B3U) (B2G) (B1G) (B1U)
                 (B2U) (B2G) (B1U) (AG) (B3G) (AU) (B2U) (B3U)
                 (B3G) (AG) (B1U) (B1G) (B2G) (B2U) (B3G) (AU)
                 (B1U) (AG) (B2U) (AG) (B3G) (B1U) (B3G) (B1U)
 Beta  Orbitals:
       Occupied  (B1U) (AG) (AG) (B2U) (B1U) (B3G) (AG) (B1U) (B2U)
                 (AG) (B3G) (B2U) (AG) (B1U) (B2U) (B3U) (B3G)
                 (B2G) (B1U) (B1G) (AG)
       Virtual   (B3U) (AU) (B2G) (AG) (B2U) (AG) (B1U) (B3G) (B2U)
                 (B3G) (B1U) (B1U) (B3G) (B2U) (AG) (B3U) (B2U)
                 (AG) (B1G) (AG) (B2G) (B1U) (B3G) (AU) (B3G) (B1U)
                 (B2U) (AG) (B3U) (B3U) (AG) (B1U) (B2G) (B1U)
                 (B2U) (B1G) (B3G) (B1G) (B1U) (B3G) (AU) (B2U)
                 (B3U) (B2G) (AG) (B3G) (AG) (B2U) (AG) (AU) (B3G)
                 (B1U) (AG) (B2U) (B1U) (B3U) (B2G) (B1G) (B1U)
                 (B2U) (B2G) (B1U) (AG) (B3G) (AU) (B2U) (B3U)
                 (B3G) (AG) (B1U) (B1G) (B2G) (B2U) (B3G) (AU)
                 (B1U) (AG) (B2U) (AG) (B3G) (B1U) (B3G) (B1U)
 The electronic state of the initial guess is 1-AG.
 Initial guess <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
 Leave Link  401 at Thu Nov  5 15:56:47 2020, MaxMem= 16106127360 cpu:         1.6
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l502.exe)
 UHF open shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Integral symmetry usage will be decided dynamically.
 Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=16939106.
 IVT=       57238 IEndB=       57238 NGot= 16106127360 MDV= 16102138471
 LenX= 16102138471 LenY= 16102125930
 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.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=   5460 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.

 Cycle   1  Pass 1  IDiag  1:
 E= -262.559695828846    
 DIIS: error= 4.43D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -262.559695828846     IErMin= 1 ErrMin= 4.43D-02
 ErrMax= 4.43D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.50D-01 BMatP= 7.50D-01
 IDIUse=3 WtCom= 5.57D-01 WtEn= 4.43D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.461 Goal=   None    Shift=    0.000
 Gap=     0.461 Goal=   None    Shift=    0.000
 GapD=    0.461 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
 RMSDP=4.97D-03 MaxDP=8.01D-02              OVMax= 1.05D-01

 Cycle   2  Pass 1  IDiag  1:
 E= -262.692712731568     Delta-E=       -0.133016902722 Rises=F Damp=F
 DIIS: error= 9.52D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -262.692712731568     IErMin= 2 ErrMin= 9.52D-03
 ErrMax= 9.52D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.36D-02 BMatP= 7.50D-01
 IDIUse=3 WtCom= 9.05D-01 WtEn= 9.52D-02
 Coeff-Com:  0.914D-01 0.909D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.827D-01 0.917D+00
 Gap=     0.450 Goal=   None    Shift=    0.000
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=1.15D-03 MaxDP=1.87D-02 DE=-1.33D-01 OVMax= 2.32D-02

 Cycle   3  Pass 1  IDiag  1:
 E= -262.702098882006     Delta-E=       -0.009386150438 Rises=F Damp=F
 DIIS: error= 3.37D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -262.702098882006     IErMin= 3 ErrMin= 3.37D-03
 ErrMax= 3.37D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.36D-03 BMatP= 4.36D-02
 IDIUse=3 WtCom= 9.66D-01 WtEn= 3.37D-02
 Coeff-Com: -0.202D-01 0.165D+00 0.855D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.195D-01 0.159D+00 0.860D+00
 Gap=     0.450 Goal=   None    Shift=    0.000
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=2.29D-04 MaxDP=4.08D-03 DE=-9.39D-03 OVMax= 7.00D-03

 Cycle   4  Pass 1  IDiag  1:
 E= -262.702973390239     Delta-E=       -0.000874508233 Rises=F Damp=F
 DIIS: error= 8.22D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -262.702973390239     IErMin= 4 ErrMin= 8.22D-04
 ErrMax= 8.22D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.95D-05 BMatP= 3.36D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.22D-03
 Coeff-Com: -0.251D-02-0.208D-01 0.226D-01 0.100D+01
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.249D-02-0.207D-01 0.224D-01 0.100D+01
 Gap=     0.450 Goal=   None    Shift=    0.000
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=7.24D-05 MaxDP=1.13D-03 DE=-8.75D-04 OVMax= 1.64D-03

 Cycle   5  Pass 1  IDiag  1:
 E= -262.703005808072     Delta-E=       -0.000032417833 Rises=F Damp=F
 DIIS: error= 2.87D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -262.703005808072     IErMin= 5 ErrMin= 2.87D-04
 ErrMax= 2.87D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.47D-06 BMatP= 8.95D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.87D-03
 Coeff-Com:  0.615D-03-0.116D-01-0.415D-01 0.851D-01 0.967D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.613D-03-0.115D-01-0.414D-01 0.848D-01 0.968D+00
 Gap=     0.450 Goal=   None    Shift=    0.000
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=2.06D-05 MaxDP=5.76D-04 DE=-3.24D-05 OVMax= 1.05D-03

 Cycle   6  Pass 1  IDiag  1:
 E= -262.703010021740     Delta-E=       -0.000004213668 Rises=F Damp=F
 DIIS: error= 1.11D-04 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -262.703010021740     IErMin= 6 ErrMin= 1.11D-04
 ErrMax= 1.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.56D-06 BMatP= 9.47D-06
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.11D-03
 Coeff-Com:  0.480D-03-0.715D-03-0.135D-01-0.110D+00 0.320D+00 0.804D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.479D-03-0.714D-03-0.134D-01-0.110D+00 0.320D+00 0.804D+00
 Gap=     0.450 Goal=   None    Shift=    0.000
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=8.20D-06 MaxDP=2.05D-04 DE=-4.21D-06 OVMax= 2.43D-04

 Cycle   7  Pass 1  IDiag  1:
 E= -262.703010818905     Delta-E=       -0.000000797165 Rises=F Damp=F
 DIIS: error= 2.84D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -262.703010818905     IErMin= 7 ErrMin= 2.84D-05
 ErrMax= 2.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-07 BMatP= 2.56D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.273D-03 0.142D-02 0.102D-01 0.385D-01-0.182D+00-0.564D+00
 Coeff-Com:  0.170D+01
 Coeff:     -0.273D-03 0.142D-02 0.102D-01 0.385D-01-0.182D+00-0.564D+00
 Coeff:      0.170D+01
 Gap=     0.451 Goal=   None    Shift=    0.000
 Gap=     0.451 Goal=   None    Shift=    0.000
 RMSDP=4.19D-06 MaxDP=9.27D-05 DE=-7.97D-07 OVMax= 2.33D-04

 Cycle   8  Pass 1  IDiag  1:
 E= -262.703010942567     Delta-E=       -0.000000123662 Rises=F Damp=F
 DIIS: error= 3.14D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -262.703010942567     IErMin= 8 ErrMin= 3.14D-06
 ErrMax= 3.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-09 BMatP= 1.52D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.637D-04-0.399D-03-0.266D-02-0.777D-02 0.480D-01 0.131D+00
 Coeff-Com: -0.509D+00 0.134D+01
 Coeff:      0.637D-04-0.399D-03-0.266D-02-0.777D-02 0.480D-01 0.131D+00
 Coeff:     -0.509D+00 0.134D+01
 Gap=     0.451 Goal=   None    Shift=    0.000
 Gap=     0.451 Goal=   None    Shift=    0.000
 RMSDP=6.56D-07 MaxDP=9.59D-06 DE=-1.24D-07 OVMax= 2.59D-05

 Cycle   9  Pass 1  IDiag  1:
 E= -262.703010944500     Delta-E=       -0.000000001933 Rises=F Damp=F
 DIIS: error= 6.21D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -262.703010944500     IErMin= 9 ErrMin= 6.21D-07
 ErrMax= 6.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.38D-11 BMatP= 2.75D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.446D-05 0.344D-04 0.227D-03 0.387D-03-0.390D-02-0.105D-01
 Coeff-Com:  0.539D-01-0.271D+00 0.123D+01
 Coeff:     -0.446D-05 0.344D-04 0.227D-03 0.387D-03-0.390D-02-0.105D-01
 Coeff:      0.539D-01-0.271D+00 0.123D+01
 Gap=     0.451 Goal=   None    Shift=    0.000
 Gap=     0.451 Goal=   None    Shift=    0.000
 RMSDP=9.60D-08 MaxDP=1.19D-06 DE=-1.93D-09 OVMax= 2.07D-06

 Cycle  10  Pass 1  IDiag  1:
 E= -262.703010944536     Delta-E=       -0.000000000037 Rises=F Damp=F
 DIIS: error= 8.48D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -262.703010944536     IErMin=10 ErrMin= 8.48D-08
 ErrMax= 8.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-12 BMatP= 5.38D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.963D-06 0.506D-05 0.337D-04 0.179D-03-0.733D-03-0.190D-02
 Coeff-Com:  0.485D-02 0.141D-01-0.257D+00 0.124D+01
 Coeff:     -0.963D-06 0.506D-05 0.337D-04 0.179D-03-0.733D-03-0.190D-02
 Coeff:      0.485D-02 0.141D-01-0.257D+00 0.124D+01
 Gap=     0.451 Goal=   None    Shift=    0.000
 Gap=     0.451 Goal=   None    Shift=    0.000
 RMSDP=2.20D-08 MaxDP=2.69D-07 DE=-3.66D-11 OVMax= 4.77D-07

 Cycle  11  Pass 1  IDiag  1:
 E= -262.703010944530     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 8.18D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -262.703010944536     IErMin=11 ErrMin= 8.18D-09
 ErrMax= 8.18D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-14 BMatP= 1.51D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.349D-06-0.208D-05-0.140D-04-0.526D-04 0.270D-03 0.721D-03
 Coeff-Com: -0.240D-02 0.226D-02 0.360D-01-0.287D+00 0.125D+01
 Coeff:      0.349D-06-0.208D-05-0.140D-04-0.526D-04 0.270D-03 0.721D-03
 Coeff:     -0.240D-02 0.226D-02 0.360D-01-0.287D+00 0.125D+01
 Gap=     0.451 Goal=   None    Shift=    0.000
 Gap=     0.451 Goal=   None    Shift=    0.000
 RMSDP=3.07D-09 MaxDP=4.74D-08 DE= 6.03D-12 OVMax= 6.66D-08

 SCF Done:  E(UHF) =  -262.703010945     A.U. after   11 cycles
            NFock= 11  Conv=0.31D-08     -V/T= 2.0011
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
 <L.S>= 0.000000000000E+00
 KE= 2.624197163114D+02 PE=-1.031504678742D+03 EE= 2.972999071092D+02
 Annihilation of the first spin contaminant:
 S**2 before annihilation     0.0000,   after     0.0000
 Leave Link  502 at Thu Nov  5 15:56:48 2020, MaxMem= 16106127360 cpu:         5.9
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l801.exe)
 ExpMin= 1.22D-01 ExpMax= 9.05D+03 ExpMxC= 3.09D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         5 IDoV=-2 UseB2=F ITyADJ=14
 ICtDFT= 12500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Largest valence mixing into a core orbital is  1.12D-04
 Largest core mixing into a valence orbital is  5.55D-05
 Largest valence mixing into a core orbital is  1.12D-04
 Largest core mixing into a valence orbital is  5.55D-05
 Range of M.O.s used for correlation:     7   104
 NBasis=   104 NAE=    21 NBE=    21 NFC=     6 NFV=     0
 NROrb=     98 NOA=    15 NOB=    15 NVA=    83 NVB=    83
 Leave Link  801 at Thu Nov  5 15:56:49 2020, MaxMem= 16106127360 cpu:         0.7
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe)
 Open-shell transformation, MDV= 16106127360 ITran=5 ISComp=1.
 Semi-Direct transformation.
 ModeAB=           4 MOrb=            98 LenV=   16105664395
 LASXX=     12072271 LTotXX=    12072271 LenRXX=    35604472
 LTotAB=    23532201 MaxLAS=     8804565 LenRXY=           0
 NonZer=    47676743 LenScr=    72089600 LnRSAI=    17431260
 LnScr1=    26673152 LExtra=           0 Total=    151798484
 MaxDsk=          -1 SrtSym=           T ITran=            5
 DoSDTr:  NPSUse=  8
 JobTyp=1 Pass  1:  I=   1 to  98.
 (rs|ai) integrals will be sorted in core.
 Complete sort for first half transformation.
 First half transformation complete.
 Begin second half transformation for I=  10.
 Begin second half transformation for I=  20.
 Begin second half transformation for I=  30.
 Begin second half transformation for I=  40.
 Begin second half transformation for I=  50.
 Begin second half transformation for I=  60.
 Begin second half transformation for I=  70.
 Begin second half transformation for I=  80.
 Begin second half transformation for I=  90.
 Complete sort for second half transformation.
 Second half transformation complete.
 ModeAB=           4 MOrb=            98 LenV=   16105664395
 LASXX=     12072271 LTotXX=    12072271 LenRXX=    12072271
 LTotAB=           0 MaxLAS=     8804565 LenRXY=           0
 NonZer=    24144542 LenScr=    36765696 LnRSAI=    17431260
 LnScr1=    26673152 LExtra=           0 Total=     92942379
 MaxDsk=          -1 SrtSym=           T ITran=            5
 DoSDTr:  NPSUse=  8
 JobTyp=2 Pass  1:  I=   1 to  98.
 (rs|ai) integrals will be sorted in core.
 Complete sort for first half transformation.
 First half transformation complete.
 Begin second half transformation for I=  10.
 Begin second half transformation for I=  20.
 Begin second half transformation for I=  30.
 Begin second half transformation for I=  40.
 Begin second half transformation for I=  50.
 Begin second half transformation for I=  60.
 Begin second half transformation for I=  70.
 Begin second half transformation for I=  80.
 Begin second half transformation for I=  90.
 Complete sort for second half transformation.
 Second half transformation complete.
 Spin components of T(2) and E(2):
     alpha-alpha T2 =       0.4280007545D-01 E2=     -0.1132418773D+00
     alpha-beta  T2 =       0.2177146357D+00 E2=     -0.6081339788D+00
     beta-beta   T2 =       0.4280007545D-01 E2=     -0.1132418773D+00
 ANorm=    0.1141628130D+01
 E2 =    -0.8346177335D+00 EUMP2 =    -0.26353762867800D+03
 (S**2,0)=  0.00000D+00           (S**2,1)=  0.00000D+00
 E(PUHF)=      -0.26270301094D+03        E(PMP2)=      -0.26353762868D+03
 Leave Link  804 at Thu Nov  5 15:56:55 2020, MaxMem= 16106127360 cpu:        45.2
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l916.exe)
 CIDS:  MDV= 16106127360.
 Frozen-core window:  NFC=   6 NFV=   0.
 IFCWin=0 IBDFC=1 NFBD=     0     0 NFCmp=     0     0 NFFFC=     0     0
 Using original routines for 1st iteration, S=F.
 Using DO4UQ or CC4UQ for 2nd and later iterations.
 MP4(SDTQ)
 =========
 E(PMP3)=      -0.26355666630D+03
 MP4(D)= -0.22611214D-01
 MP4(S)= -0.74838086D-02
 MP4(R+Q)=  0.23758498D-01
 Time for triples=      579.08 seconds.
 MP4(T)=   -0.42915211D-01
 E3=       -0.19037621D-01        EUMP3=      -0.26355666630D+03
 E4(DQ)=    0.11472839D-02        UMP4(DQ)=   -0.26355551901D+03
 E4(SDQ)=  -0.63365247D-02        UMP4(SDQ)=  -0.26356300282D+03
 E4(SDTQ)= -0.49251735D-01        UMP4(SDTQ)= -0.26360591803D+03
 VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
 E(VAR1)=  -0.26335799880D+03     E(CISD,4)=  -0.26333360942D+03
 Largest amplitude= 7.86D-02

 S**2, projected HF & approx projected MPn energies after annihilation of
 unwanted spin states (see manual for definitions):

 spins       (S**2,0) (S**2,1)    PUHF        PMP2        PMP3        PMP4
 annihilated
 s+1         0.00000  0.00000 -262.703011 -263.537629 -263.556666 -263.605918
 s+1,s+2     0.00000  0.00000 -262.703011 -263.537629 -263.556666 -263.605918
 s+1 to s+3  0.00000  0.00000 -262.703011 -263.537629 -263.556666 -263.605918
 s+1 to s+4  0.00000  0.00000 -262.703011 -263.537629 -263.556666 -263.605918
 s+1 to s+5  0.00000  0.00000 -262.703011
 s+1 to s+6  0.00000  0.00000 -262.703011

 Leave Link  916 at Thu Nov  5 15:58:24 2020, MaxMem= 16106127360 cpu:       704.6
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l915.exe)
 UMP5:  MDV=**********.
 Frozen-core window:  NFC=   6 NFV=   0.
 IFCWin=0 IBDFC=1 NFBD=     0     0 NFCmp=     0     0 NFFFC=     0     0
 MP5 
 ===
 Saving the triples amplitudes on disk, using  973326060 words of disk space.
 Time for triples=     3191.29 seconds.
 Disk space used for TT scratch files  :   1929781125 words
 E5TTaaa =   0.49878697D-05
 E5TTaab =  -0.14416753D-02
 E5TTabb =  -0.14416753D-02
 E5TTbbb =   0.49878697D-05
 E5TT     =  -0.28733748D-02
 E5TQ2    =   0.10714233D-01
 EQQ2     =  -0.66135324D-02
 EMP5QQ(I)      =   0.18337422034D-02
 Time for triples=     3798.73 seconds.
 EMP5DT         =   0.51156380215D-02
 EMP5(ST+TQ(I)) =   0.32682012559D-02
 EMP5DQ         =   0.25886070508D-02
 EMP5DD         =  -0.46990080497D-02
 EMP5SS         =  -0.15450916145D-02
 EMP5SD         =   0.12826118102D-02
 DEMP5 =   0.90720262517D-02 MP5 =  -0.26359684601D+03
 Pade Approximates from MP energies 
 [1,0] =  -0.26355711068D+03
 [1,1] =  -0.26352563326D+03
 [2,1] =  -0.26360073845D+03
 Leave Link  915 at Thu Nov  5 17:54:28 2020, MaxMem= 16106127360 cpu:     53361.6
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 1 IROHF=0.

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
 Alpha Orbitals:
       Occupied  (B1U) (AG) (B2U) (AG) (B1U) (B3G) (AG) (B1U) (B2U)
                 (AG) (B3G) (AG) (B2U) (B1U) (B2U) (B3U) (B3G)
                 (B1U) (B2G) (AG) (B1G)
       Virtual   (B3U) (AU) (AG) (B2U) (B1U) (B3G) (B2G) (AG) (B2U)
                 (B1U) (B3G) (B1U) (B3G) (AG) (B2U) (B3U) (B2U)
                 (B1G) (AG) (B2G) (AG) (B1U) (AU) (B3G) (B2U) (B3G)
                 (B1U) (AG) (B3U) (B1U) (AG) (B3U) (B1U) (B2U)
                 (B2G) (B3G) (B1G) (B1G) (B1U) (B3G) (B2U) (AU)
                 (B2G) (B3U) (AG) (B3G) (AG) (B2U) (AG) (AU) (B1U)
                 (B3G) (AG) (B3U) (B1U) (B2U) (B2G) (B1G) (B1U)
                 (B2G) (B2U) (B1U) (AG) (B3G) (AU) (B2U) (B3U)
                 (B3G) (AG) (B1U) (B1G) (B2G) (B2U) (B3G) (AU)
                 (B1U) (AG) (B2U) (AG) (B1U) (B3G) (B3G) (B1U)
 Beta  Orbitals:
       Occupied  (B1U) (AG) (B2U) (AG) (B1U) (B3G) (AG) (B1U) (B2U)
                 (AG) (B3G) (AG) (B2U) (B1U) (B2U) (B3U) (B3G)
                 (B1U) (B2G) (AG) (B1G)
       Virtual   (B3U) (AU) (AG) (B2U) (B1U) (B3G) (B2G) (AG) (B2U)
                 (B1U) (B3G) (B1U) (B3G) (AG) (B2U) (B3U) (B2U)
                 (B1G) (AG) (B2G) (AG) (B1U) (AU) (B3G) (B2U) (B3G)
                 (B1U) (AG) (B3U) (B1U) (AG) (B3U) (B1U) (B2U)
                 (B2G) (B3G) (B1G) (B1G) (B1U) (B3G) (B2U) (AU)
                 (B2G) (B3U) (AG) (B3G) (AG) (B2U) (AG) (AU) (B1U)
                 (B3G) (AG) (B3U) (B1U) (B2U) (B2G) (B1G) (B1U)
                 (B2G) (B2U) (B1U) (AG) (B3G) (AU) (B2U) (B3U)
                 (B3G) (AG) (B1U) (B1G) (B2G) (B2U) (B3G) (AU)
                 (B1U) (AG) (B2U) (AG) (B1U) (B3G) (B3G) (B1U)
 The electronic state is 1-AG.
 Alpha  occ. eigenvalues --  -15.59508 -15.59506 -11.28714 -11.28710 -11.28593
 Alpha  occ. eigenvalues --  -11.28592  -1.30850  -1.22045  -1.05409  -0.90249
 Alpha  occ. eigenvalues --   -0.88781  -0.72631  -0.70201  -0.67648  -0.60892
 Alpha  occ. eigenvalues --   -0.57240  -0.54851  -0.49872  -0.43268  -0.40920
 Alpha  occ. eigenvalues --   -0.35778
 Alpha virt. eigenvalues --    0.09274   0.12167   0.19575   0.20894   0.24242
 Alpha virt. eigenvalues --    0.24715   0.33067   0.33207   0.43413   0.45910
 Alpha virt. eigenvalues --    0.46370   0.57855   0.60784   0.63275   0.64085
 Alpha virt. eigenvalues --    0.65510   0.70075   0.70309   0.70971   0.74989
 Alpha virt. eigenvalues --    0.77172   0.77838   0.80183   0.85822   0.91124
 Alpha virt. eigenvalues --    0.93816   0.95385   0.97819   1.07219   1.07381
 Alpha virt. eigenvalues --    1.07693   1.10380   1.10956   1.14433   1.16680
 Alpha virt. eigenvalues --    1.18292   1.19304   1.25759   1.27572   1.31985
 Alpha virt. eigenvalues --    1.37971   1.39634   1.41295   1.42795   1.52194
 Alpha virt. eigenvalues --    1.58356   1.62682   1.74271   1.80678   1.82223
 Alpha virt. eigenvalues --    1.82529   1.84134   1.88793   1.90607   1.91577
 Alpha virt. eigenvalues --    1.91778   1.96183   1.97165   2.02626   2.10921
 Alpha virt. eigenvalues --    2.12410   2.20956   2.23138   2.26127   2.27814
 Alpha virt. eigenvalues --    2.34749   2.44763   2.47070   2.52761   2.53877
 Alpha virt. eigenvalues --    2.54889   2.69978   2.81791   2.85145   2.85629
 Alpha virt. eigenvalues --    2.87712   2.89885   3.13151   3.17666   3.20414
 Alpha virt. eigenvalues --    3.23599   3.32525   3.77329
  Beta  occ. eigenvalues --  -15.59508 -15.59506 -11.28714 -11.28710 -11.28593
  Beta  occ. eigenvalues --  -11.28592  -1.30850  -1.22045  -1.05409  -0.90249
  Beta  occ. eigenvalues --   -0.88781  -0.72631  -0.70201  -0.67648  -0.60892
  Beta  occ. eigenvalues --   -0.57240  -0.54851  -0.49872  -0.43268  -0.40920
  Beta  occ. eigenvalues --   -0.35778
  Beta virt. eigenvalues --    0.09274   0.12167   0.19575   0.20894   0.24242
  Beta virt. eigenvalues --    0.24715   0.33067   0.33207   0.43413   0.45910
  Beta virt. eigenvalues --    0.46370   0.57855   0.60784   0.63275   0.64085
  Beta virt. eigenvalues --    0.65510   0.70075   0.70309   0.70971   0.74989
  Beta virt. eigenvalues --    0.77172   0.77838   0.80183   0.85822   0.91124
  Beta virt. eigenvalues --    0.93816   0.95385   0.97819   1.07219   1.07381
  Beta virt. eigenvalues --    1.07693   1.10380   1.10956   1.14433   1.16680
  Beta virt. eigenvalues --    1.18292   1.19304   1.25759   1.27572   1.31985
  Beta virt. eigenvalues --    1.37971   1.39634   1.41295   1.42795   1.52194
  Beta virt. eigenvalues --    1.58356   1.62682   1.74271   1.80678   1.82223
  Beta virt. eigenvalues --    1.82529   1.84134   1.88793   1.90607   1.91577
  Beta virt. eigenvalues --    1.91778   1.96183   1.97165   2.02626   2.10921
  Beta virt. eigenvalues --    2.12410   2.20956   2.23138   2.26127   2.27814
  Beta virt. eigenvalues --    2.34749   2.44763   2.47070   2.52761   2.53877
  Beta virt. eigenvalues --    2.54889   2.69978   2.81791   2.85145   2.85629
  Beta virt. eigenvalues --    2.87712   2.89885   3.13151   3.17666   3.20414
  Beta virt. eigenvalues --    3.23599   3.32525   3.77329
     Alpha Molecular Orbital Coefficients:
                           1         2         3         4         5
                       (B1U)--O   (AG)--O  (B2U)--O   (AG)--O  (B1U)--O
     Eigenvalues --   -15.59508 -15.59506 -11.28714 -11.28710 -11.28593
   1 1   C  1S          0.00006   0.00006   0.49855   0.49852   0.49867
   2        2S          0.00014  -0.00003   0.00892   0.00878   0.00908
   3        3S          0.00390   0.00140  -0.00187  -0.00181  -0.00115
   4        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
   5        4PY        -0.00004   0.00007  -0.00023  -0.00029  -0.00026
   6        4PZ        -0.00008   0.00008   0.00011   0.00027   0.00012
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        5PY        -0.00273  -0.00080   0.00032  -0.00074  -0.00213
   9        5PZ        -0.00077   0.00014   0.00066  -0.00013  -0.00013
  10        6D 0        0.00011   0.00003   0.00009   0.00001   0.00032
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00053   0.00029  -0.00005  -0.00009  -0.00010
  13        6D+2        0.00020   0.00010  -0.00012  -0.00032  -0.00059
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S          0.00006   0.00006  -0.49855   0.49852   0.49867
  16        2S          0.00014  -0.00003  -0.00892   0.00878   0.00908
  17        3S          0.00390   0.00140   0.00187  -0.00181  -0.00115
  18        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  19        4PY         0.00004  -0.00007  -0.00023   0.00029   0.00026
  20        4PZ        -0.00008   0.00008  -0.00011   0.00027   0.00012
  21        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  22        5PY         0.00273   0.00080   0.00032   0.00074   0.00213
  23        5PZ        -0.00077   0.00014  -0.00066  -0.00013  -0.00013
  24        6D 0        0.00011   0.00003  -0.00009   0.00001   0.00032
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  26        6D-1       -0.00053  -0.00029  -0.00005   0.00009   0.00010
  27        6D+2        0.00020   0.00010   0.00012  -0.00032  -0.00059
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  29 3   C  1S         -0.00006   0.00006   0.49855   0.49852  -0.49867
  30        2S         -0.00014  -0.00003   0.00892   0.00878  -0.00908
  31        3S         -0.00390   0.00140  -0.00187  -0.00181   0.00115
  32        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  33        4PY         0.00004   0.00007  -0.00023  -0.00029   0.00026
  34        4PZ        -0.00008  -0.00008  -0.00011  -0.00027   0.00012
  35        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  36        5PY         0.00273  -0.00080   0.00032  -0.00074   0.00213
  37        5PZ        -0.00077  -0.00014  -0.00066   0.00013  -0.00013
  38        6D 0       -0.00011   0.00003   0.00009   0.00001  -0.00032
  39        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  40        6D-1        0.00053  -0.00029   0.00005   0.00009  -0.00010
  41        6D+2       -0.00020   0.00010  -0.00012  -0.00032   0.00059
  42        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S         -0.00006   0.00006  -0.49855   0.49852  -0.49867
  44        2S         -0.00014  -0.00003  -0.00892   0.00878  -0.00908
  45        3S         -0.00390   0.00140   0.00187  -0.00181   0.00115
  46        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  47        4PY        -0.00004  -0.00007  -0.00023   0.00029  -0.00026
  48        4PZ        -0.00008  -0.00008   0.00011  -0.00027   0.00012
  49        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  50        5PY        -0.00273   0.00080   0.00032   0.00074  -0.00213
  51        5PZ        -0.00077  -0.00014   0.00066   0.00013  -0.00013
  52        6D 0       -0.00011   0.00003  -0.00009   0.00001  -0.00032
  53        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  54        6D-1       -0.00053   0.00029   0.00005  -0.00009   0.00010
  55        6D+2       -0.00020   0.00010   0.00012  -0.00032   0.00059
  56        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  57 5   N  1S          0.70525   0.70520   0.00000  -0.00024  -0.00021
  58        2S          0.01248   0.01191   0.00000   0.00047   0.00079
  59        3S         -0.00829  -0.00556   0.00000  -0.00178  -0.00412
  60        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000   0.00000   0.00014   0.00000   0.00000
  62        4PZ        -0.00159  -0.00151   0.00000  -0.00006  -0.00001
  63        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000   0.00000  -0.00103   0.00000   0.00000
  65        5PZ         0.00258   0.00176   0.00000   0.00106   0.00165
  66        6D 0        0.00003   0.00003   0.00000  -0.00007  -0.00011
  67        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.00000   0.00007   0.00000   0.00000
  69        6D+2       -0.00027  -0.00024   0.00000   0.00033   0.00043
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S         -0.70525   0.70520   0.00000  -0.00024   0.00021
  72        2S         -0.01248   0.01191   0.00000   0.00047  -0.00079
  73        3S          0.00829  -0.00556   0.00000  -0.00178   0.00412
  74        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000   0.00000   0.00014   0.00000   0.00000
  76        4PZ        -0.00159   0.00151   0.00000   0.00006  -0.00001
  77        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000   0.00000  -0.00103   0.00000   0.00000
  79        5PZ         0.00258  -0.00176   0.00000  -0.00106   0.00165
  80        6D 0       -0.00003   0.00003   0.00000  -0.00007   0.00011
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.00000  -0.00007   0.00000   0.00000
  83        6D+2        0.00027  -0.00024   0.00000   0.00033  -0.00043
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S         -0.00002  -0.00013  -0.00029  -0.00012  -0.00009
  86        2S          0.00067   0.00016   0.00036   0.00094   0.00109
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  88        3PY         0.00019   0.00010   0.00016   0.00019   0.00033
  89        3PZ        -0.00007  -0.00006  -0.00001   0.00002   0.00016
  90 8   H  1S         -0.00002  -0.00013   0.00029  -0.00012  -0.00009
  91        2S          0.00067   0.00016  -0.00036   0.00094   0.00109
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY        -0.00019  -0.00010   0.00016  -0.00019  -0.00033
  94        3PZ        -0.00007  -0.00006   0.00001   0.00002   0.00016
  95 9   H  1S          0.00002  -0.00013  -0.00029  -0.00012   0.00009
  96        2S         -0.00067   0.00016   0.00036   0.00094  -0.00109
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  98        3PY        -0.00019   0.00010   0.00016   0.00019  -0.00033
  99        3PZ        -0.00007   0.00006   0.00001  -0.00002   0.00016
 100 10  H  1S          0.00002  -0.00013   0.00029  -0.00012   0.00009
 101        2S         -0.00067   0.00016  -0.00036   0.00094  -0.00109
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.00019  -0.00010   0.00016  -0.00019   0.00033
 104        3PZ        -0.00007   0.00006  -0.00001  -0.00002   0.00016
                           6         7         8         9        10
                       (B3G)--O   (AG)--O  (B1U)--O  (B2U)--O   (AG)--O
     Eigenvalues --   -11.28592  -1.30850  -1.22045  -1.05409  -0.90249
   1 1   C  1S          0.49873  -0.07564  -0.05595  -0.10849   0.06816
   2        2S          0.00935   0.15164   0.10810   0.21829  -0.14133
   3        3S         -0.00558   0.05786   0.04344   0.12743  -0.10454
   4        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
   5        4PY        -0.00018  -0.07741  -0.08073  -0.00172  -0.11295
   6        4PZ         0.00011  -0.00447   0.07120  -0.05452   0.15772
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        5PY        -0.00020  -0.00555  -0.00127  -0.01277  -0.02812
   9        5PZ         0.00311  -0.00699   0.00552  -0.03296   0.03940
  10        6D 0        0.00032   0.00233  -0.01022   0.01466  -0.01563
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1       -0.00002  -0.00894  -0.01814  -0.00482  -0.00801
  13        6D+2       -0.00041  -0.00970  -0.01349  -0.00174  -0.00603
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S         -0.49873  -0.07564  -0.05595   0.10849   0.06816
  16        2S         -0.00935   0.15164   0.10810  -0.21829  -0.14133
  17        3S          0.00558   0.05786   0.04344  -0.12743  -0.10454
  18        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  19        4PY        -0.00018   0.07741   0.08073  -0.00172   0.11295
  20        4PZ        -0.00011  -0.00447   0.07120   0.05452   0.15772
  21        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  22        5PY        -0.00020   0.00555   0.00127  -0.01277   0.02812
  23        5PZ        -0.00311  -0.00699   0.00552   0.03296   0.03940
  24        6D 0       -0.00032   0.00233  -0.01022  -0.01466  -0.01563
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  26        6D-1       -0.00002   0.00894   0.01814  -0.00482   0.00801
  27        6D+2        0.00041  -0.00970  -0.01349   0.00174  -0.00603
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  29 3   C  1S         -0.49873  -0.07564   0.05595  -0.10849   0.06816
  30        2S         -0.00935   0.15164  -0.10810   0.21829  -0.14133
  31        3S          0.00558   0.05786  -0.04344   0.12743  -0.10454
  32        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  33        4PY         0.00018  -0.07741   0.08073  -0.00172  -0.11295
  34        4PZ         0.00011   0.00447   0.07120   0.05452  -0.15772
  35        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  36        5PY         0.00020  -0.00555   0.00127  -0.01277  -0.02812
  37        5PZ         0.00311   0.00699   0.00552   0.03296  -0.03940
  38        6D 0       -0.00032   0.00233   0.01022   0.01466  -0.01563
  39        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  40        6D-1       -0.00002   0.00894  -0.01814   0.00482   0.00801
  41        6D+2        0.00041  -0.00970   0.01349  -0.00174  -0.00603
  42        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S          0.49873  -0.07564   0.05595   0.10849   0.06816
  44        2S          0.00935   0.15164  -0.10810  -0.21829  -0.14133
  45        3S         -0.00558   0.05786  -0.04344  -0.12743  -0.10454
  46        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  47        4PY         0.00018   0.07741  -0.08073  -0.00172   0.11295
  48        4PZ        -0.00011   0.00447   0.07120  -0.05452  -0.15772
  49        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  50        5PY         0.00020   0.00555  -0.00127  -0.01277   0.02812
  51        5PZ        -0.00311   0.00699   0.00552  -0.03296  -0.03940
  52        6D 0        0.00032   0.00233   0.01022  -0.01466  -0.01563
  53        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  54        6D-1       -0.00002  -0.00894   0.01814   0.00482  -0.00801
  55        6D+2       -0.00041  -0.00970   0.01349   0.00174  -0.00603
  56        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  57 5   N  1S          0.00000  -0.11068  -0.13343   0.00000  -0.08211
  58        2S          0.00000   0.22605   0.27123   0.00000   0.18131
  59        3S          0.00000   0.19970   0.26074   0.00000   0.18369
  60        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00017   0.00000   0.00000   0.13346   0.00000
  62        4PZ         0.00000  -0.08421  -0.07373   0.00000   0.01440
  63        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  64        5PY        -0.00192   0.00000   0.00000   0.05921   0.00000
  65        5PZ         0.00000  -0.03193  -0.03177   0.00000   0.01349
  66        6D 0        0.00000   0.00392   0.00124   0.00000  -0.00407
  67        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00018   0.00000   0.00000  -0.01817   0.00000
  69        6D+2        0.00000  -0.00938  -0.01061   0.00000  -0.00363
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000  -0.11068   0.13343   0.00000  -0.08211
  72        2S          0.00000   0.22605  -0.27123   0.00000   0.18131
  73        3S          0.00000   0.19970  -0.26074   0.00000   0.18369
  74        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  75        4PY        -0.00017   0.00000   0.00000   0.13346   0.00000
  76        4PZ         0.00000   0.08421  -0.07373   0.00000  -0.01440
  77        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00192   0.00000   0.00000   0.05921   0.00000
  79        5PZ         0.00000   0.03193  -0.03177   0.00000  -0.01349
  80        6D 0        0.00000   0.00392  -0.00124   0.00000  -0.00407
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00018   0.00000   0.00000   0.01817   0.00000
  83        6D+2        0.00000  -0.00938   0.01061   0.00000  -0.00363
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S         -0.00028   0.03079   0.03045   0.09075  -0.08662
  86        2S          0.00004  -0.00058  -0.00069   0.01484  -0.00811
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  88        3PY         0.00032  -0.00607  -0.00735  -0.01042   0.00734
  89        3PZ         0.00004  -0.00192   0.00038  -0.00809   0.00891
  90 8   H  1S          0.00028   0.03079   0.03045  -0.09075  -0.08662
  91        2S         -0.00004  -0.00058  -0.00069  -0.01484  -0.00811
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY         0.00032   0.00607   0.00735  -0.01042  -0.00734
  94        3PZ        -0.00004  -0.00192   0.00038   0.00809   0.00891
  95 9   H  1S          0.00028   0.03079  -0.03045   0.09075  -0.08662
  96        2S         -0.00004  -0.00058   0.00069   0.01484  -0.00811
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  98        3PY        -0.00032  -0.00607   0.00735  -0.01042   0.00734
  99        3PZ         0.00004   0.00192   0.00038   0.00809  -0.00891
 100 10  H  1S         -0.00028   0.03079  -0.03045  -0.09075  -0.08662
 101        2S          0.00004  -0.00058   0.00069  -0.01484  -0.00811
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
 103        3PY        -0.00032   0.00607  -0.00735  -0.01042  -0.00734
 104        3PZ        -0.00004   0.00192   0.00038  -0.00809  -0.00891
                          11        12        13        14        15
                       (B3G)--O   (AG)--O  (B2U)--O  (B1U)--O  (B2U)--O
     Eigenvalues --    -0.88781  -0.72631  -0.70201  -0.67648  -0.60892
   1 1   C  1S         -0.08278  -0.00571   0.00578  -0.04970   0.01550
   2        2S          0.17082   0.00517  -0.00977   0.10692  -0.04247
   3        3S          0.16589   0.02591  -0.02279   0.09975  -0.04366
   4        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
   5        4PY        -0.02488   0.15236  -0.14027   0.17213   0.19766
   6        4PZ         0.11936   0.15567   0.23569   0.07056   0.17600
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        5PY        -0.02433   0.04972  -0.04066   0.06117   0.08772
   9        5PZ        -0.01631   0.04755   0.06078   0.02473   0.05640
  10        6D 0       -0.00159  -0.00014  -0.00708  -0.00070  -0.01248
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1       -0.01158  -0.00652  -0.01045   0.02080   0.00362
  13        6D+2       -0.00749   0.00460  -0.00615   0.00369  -0.00597
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S          0.08278  -0.00571  -0.00578  -0.04970  -0.01550
  16        2S         -0.17082   0.00517   0.00977   0.10692   0.04247
  17        3S         -0.16589   0.02591   0.02279   0.09975   0.04366
  18        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  19        4PY        -0.02488  -0.15236  -0.14027  -0.17213   0.19766
  20        4PZ        -0.11936   0.15567  -0.23569   0.07056  -0.17600
  21        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  22        5PY        -0.02433  -0.04972  -0.04066  -0.06117   0.08772
  23        5PZ         0.01631   0.04755  -0.06078   0.02473  -0.05640
  24        6D 0        0.00159  -0.00014   0.00708  -0.00070   0.01248
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  26        6D-1       -0.01158   0.00652  -0.01045  -0.02080   0.00362
  27        6D+2        0.00749   0.00460   0.00615   0.00369   0.00597
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  29 3   C  1S          0.08278  -0.00571   0.00578   0.04970   0.01550
  30        2S         -0.17082   0.00517  -0.00977  -0.10692  -0.04247
  31        3S         -0.16589   0.02591  -0.02279  -0.09975  -0.04366
  32        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  33        4PY         0.02488   0.15236  -0.14027  -0.17213   0.19766
  34        4PZ         0.11936  -0.15567  -0.23569   0.07056  -0.17600
  35        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  36        5PY         0.02433   0.04972  -0.04066  -0.06117   0.08772
  37        5PZ        -0.01631  -0.04755  -0.06078   0.02473  -0.05640
  38        6D 0        0.00159  -0.00014  -0.00708   0.00070  -0.01248
  39        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  40        6D-1       -0.01158   0.00652   0.01045   0.02080  -0.00362
  41        6D+2        0.00749   0.00460  -0.00615  -0.00369  -0.00597
  42        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S         -0.08278  -0.00571  -0.00578   0.04970  -0.01550
  44        2S          0.17082   0.00517   0.00977  -0.10692   0.04247
  45        3S          0.16589   0.02591   0.02279  -0.09975   0.04366
  46        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  47        4PY         0.02488  -0.15236  -0.14027   0.17213   0.19766
  48        4PZ        -0.11936  -0.15567   0.23569   0.07056   0.17600
  49        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  50        5PY         0.02433  -0.04972  -0.04066   0.06117   0.08772
  51        5PZ         0.01631  -0.04755   0.06078   0.02473   0.05640
  52        6D 0       -0.00159  -0.00014   0.00708   0.00070   0.01248
  53        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  54        6D-1       -0.01158  -0.00652   0.01045  -0.02080  -0.00362
  55        6D+2       -0.00749   0.00460   0.00615  -0.00369   0.00597
  56        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  57 5   N  1S          0.00000  -0.03237   0.00000   0.03845   0.00000
  58        2S          0.00000   0.07264   0.00000  -0.08422   0.00000
  59        3S          0.00000   0.10999   0.00000  -0.09489   0.00000
  60        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.23548   0.00000   0.28367   0.00000  -0.07876
  62        4PZ         0.00000   0.16913   0.00000   0.06161   0.00000
  63        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.10235   0.00000   0.13064   0.00000  -0.02210
  65        5PZ         0.00000   0.09424   0.00000   0.02277   0.00000
  66        6D 0        0.00000  -0.01706   0.00000  -0.01046   0.00000
  67        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  68        6D-1       -0.02009   0.00000  -0.01808   0.00000   0.01578
  69        6D+2        0.00000  -0.00487   0.00000  -0.00695   0.00000
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000  -0.03237   0.00000  -0.03845   0.00000
  72        2S          0.00000   0.07264   0.00000   0.08422   0.00000
  73        3S          0.00000   0.10999   0.00000   0.09489   0.00000
  74        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  75        4PY        -0.23548   0.00000   0.28367   0.00000  -0.07876
  76        4PZ         0.00000  -0.16913   0.00000   0.06161   0.00000
  77        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  78        5PY        -0.10235   0.00000   0.13064   0.00000  -0.02210
  79        5PZ         0.00000  -0.09424   0.00000   0.02277   0.00000
  80        6D 0        0.00000  -0.01706   0.00000   0.01046   0.00000
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  82        6D-1       -0.02009   0.00000   0.01808   0.00000  -0.01578
  83        6D+2        0.00000  -0.00487   0.00000   0.00695   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.11908   0.15735  -0.00926   0.21706   0.19386
  86        2S          0.03008   0.03691   0.00132   0.05960   0.06256
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  88        3PY        -0.01286  -0.01247  -0.00063  -0.01399  -0.01218
  89        3PZ        -0.00538  -0.00732   0.00435  -0.01165  -0.00479
  90 8   H  1S         -0.11908   0.15735   0.00926   0.21706  -0.19386
  91        2S         -0.03008   0.03691  -0.00132   0.05960  -0.06256
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY        -0.01286   0.01247  -0.00063   0.01399  -0.01218
  94        3PZ         0.00538  -0.00732  -0.00435  -0.01165   0.00479
  95 9   H  1S         -0.11908   0.15735  -0.00926  -0.21706   0.19386
  96        2S         -0.03008   0.03691   0.00132  -0.05960   0.06256
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  98        3PY         0.01286  -0.01247  -0.00063   0.01399  -0.01218
  99        3PZ        -0.00538   0.00732  -0.00435  -0.01165   0.00479
 100 10  H  1S          0.11908   0.15735   0.00926  -0.21706  -0.19386
 101        2S          0.03008   0.03691  -0.00132  -0.05960  -0.06256
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.01286   0.01247  -0.00063  -0.01399  -0.01218
 104        3PZ         0.00538   0.00732   0.00435  -0.01165  -0.00479
                          16        17        18        19        20
                       (B3U)--O  (B3G)--O  (B1U)--O  (B2G)--O   (AG)--O
     Eigenvalues --    -0.57240  -0.54851  -0.49872  -0.43268  -0.40920
   1 1   C  1S          0.00000   0.00858   0.03724   0.00000   0.00048
   2        2S          0.00000  -0.01062  -0.08547   0.00000  -0.00768
   3        3S          0.00000  -0.02734  -0.08003   0.00000   0.04802
   4        4PX         0.20756   0.00000   0.00000   0.15407   0.00000
   5        4PY         0.00000  -0.22900   0.07202   0.00000   0.03173
   6        4PZ         0.00000   0.00630  -0.01128   0.00000  -0.20879
   7        5PX         0.11757   0.00000   0.00000   0.12548   0.00000
   8        5PY         0.00000  -0.09272  -0.04178   0.00000  -0.02062
   9        5PZ         0.00000   0.00552   0.04016   0.00000  -0.06734
  10        6D 0        0.00000   0.00736   0.02120   0.00000   0.02410
  11        6D+1       -0.00582   0.00000   0.00000   0.01937   0.00000
  12        6D-1        0.00000  -0.03481  -0.00838   0.00000  -0.01076
  13        6D+2        0.00000   0.00090   0.01383   0.00000   0.01584
  14        6D-2       -0.01886   0.00000   0.00000  -0.02425   0.00000
  15 2   C  1S          0.00000  -0.00858   0.03724   0.00000   0.00048
  16        2S          0.00000   0.01062  -0.08547   0.00000  -0.00768
  17        3S          0.00000   0.02734  -0.08003   0.00000   0.04802
  18        4PX         0.20756   0.00000   0.00000   0.15407   0.00000
  19        4PY         0.00000  -0.22900  -0.07202   0.00000  -0.03173
  20        4PZ         0.00000  -0.00630  -0.01128   0.00000  -0.20879
  21        5PX         0.11757   0.00000   0.00000   0.12548   0.00000
  22        5PY         0.00000  -0.09272   0.04178   0.00000   0.02062
  23        5PZ         0.00000  -0.00552   0.04016   0.00000  -0.06734
  24        6D 0        0.00000  -0.00736   0.02120   0.00000   0.02410
  25        6D+1       -0.00582   0.00000   0.00000   0.01937   0.00000
  26        6D-1        0.00000  -0.03481   0.00838   0.00000   0.01076
  27        6D+2        0.00000  -0.00090   0.01383   0.00000   0.01584
  28        6D-2        0.01886   0.00000   0.00000   0.02425   0.00000
  29 3   C  1S          0.00000  -0.00858  -0.03724   0.00000   0.00048
  30        2S          0.00000   0.01062   0.08547   0.00000  -0.00768
  31        3S          0.00000   0.02734   0.08003   0.00000   0.04802
  32        4PX         0.20756   0.00000   0.00000  -0.15407   0.00000
  33        4PY         0.00000   0.22900  -0.07202   0.00000   0.03173
  34        4PZ         0.00000   0.00630  -0.01128   0.00000   0.20879
  35        5PX         0.11757   0.00000   0.00000  -0.12548   0.00000
  36        5PY         0.00000   0.09272   0.04178   0.00000  -0.02062
  37        5PZ         0.00000   0.00552   0.04016   0.00000   0.06734
  38        6D 0        0.00000  -0.00736  -0.02120   0.00000   0.02410
  39        6D+1        0.00582   0.00000   0.00000   0.01937   0.00000
  40        6D-1        0.00000  -0.03481  -0.00838   0.00000   0.01076
  41        6D+2        0.00000  -0.00090  -0.01383   0.00000   0.01584
  42        6D-2       -0.01886   0.00000   0.00000   0.02425   0.00000
  43 4   C  1S          0.00000   0.00858  -0.03724   0.00000   0.00048
  44        2S          0.00000  -0.01062   0.08547   0.00000  -0.00768
  45        3S          0.00000  -0.02734   0.08003   0.00000   0.04802
  46        4PX         0.20756   0.00000   0.00000  -0.15407   0.00000
  47        4PY         0.00000   0.22900   0.07202   0.00000  -0.03173
  48        4PZ         0.00000  -0.00630  -0.01128   0.00000   0.20879
  49        5PX         0.11757   0.00000   0.00000  -0.12548   0.00000
  50        5PY         0.00000   0.09272  -0.04178   0.00000   0.02062
  51        5PZ         0.00000  -0.00552   0.04016   0.00000   0.06734
  52        6D 0        0.00000   0.00736  -0.02120   0.00000   0.02410
  53        6D+1        0.00582   0.00000   0.00000   0.01937   0.00000
  54        6D-1        0.00000  -0.03481   0.00838   0.00000  -0.01076
  55        6D+2        0.00000   0.00090  -0.01383   0.00000   0.01584
  56        6D-2        0.01886   0.00000   0.00000  -0.02425   0.00000
  57 5   N  1S          0.00000   0.00000  -0.05439   0.00000  -0.04203
  58        2S          0.00000   0.00000   0.13315   0.00000   0.09728
  59        3S          0.00000   0.00000   0.14403   0.00000   0.15503
  60        4PX         0.24198   0.00000   0.00000   0.33597   0.00000
  61        4PY         0.00000   0.23810   0.00000   0.00000   0.00000
  62        4PZ         0.00000   0.00000   0.39075   0.00000   0.34129
  63        5PX         0.15758   0.00000   0.00000   0.25140   0.00000
  64        5PY         0.00000   0.11012   0.00000   0.00000   0.00000
  65        5PZ         0.00000   0.00000   0.29489   0.00000   0.29505
  66        6D 0        0.00000   0.00000  -0.01523   0.00000  -0.00664
  67        6D+1       -0.02102   0.00000   0.00000  -0.02238   0.00000
  68        6D-1        0.00000  -0.01964   0.00000   0.00000   0.00000
  69        6D+2        0.00000   0.00000   0.00637   0.00000   0.01099
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000   0.00000   0.05439   0.00000  -0.04203
  72        2S          0.00000   0.00000  -0.13315   0.00000   0.09728
  73        3S          0.00000   0.00000  -0.14403   0.00000   0.15503
  74        4PX         0.24198   0.00000   0.00000  -0.33597   0.00000
  75        4PY         0.00000  -0.23810   0.00000   0.00000   0.00000
  76        4PZ         0.00000   0.00000   0.39075   0.00000  -0.34129
  77        5PX         0.15758   0.00000   0.00000  -0.25140   0.00000
  78        5PY         0.00000  -0.11012   0.00000   0.00000   0.00000
  79        5PZ         0.00000   0.00000   0.29489   0.00000  -0.29505
  80        6D 0        0.00000   0.00000   0.01523   0.00000  -0.00664
  81        6D+1        0.02102   0.00000   0.00000  -0.02238   0.00000
  82        6D-1        0.00000  -0.01964   0.00000   0.00000   0.00000
  83        6D+2        0.00000   0.00000  -0.00637   0.00000   0.01099
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.00000  -0.19743  -0.02033   0.00000  -0.11380
  86        2S          0.00000  -0.08275   0.00910   0.00000  -0.05656
  87        3PX         0.00680   0.00000   0.00000   0.00515   0.00000
  88        3PY         0.00000   0.00777   0.00223   0.00000   0.00673
  89        3PZ         0.00000   0.00887  -0.00297   0.00000  -0.00397
  90 8   H  1S          0.00000   0.19743  -0.02033   0.00000  -0.11380
  91        2S          0.00000   0.08275   0.00910   0.00000  -0.05656
  92        3PX         0.00680   0.00000   0.00000   0.00515   0.00000
  93        3PY         0.00000   0.00777  -0.00223   0.00000  -0.00673
  94        3PZ         0.00000  -0.00887  -0.00297   0.00000  -0.00397
  95 9   H  1S          0.00000   0.19743   0.02033   0.00000  -0.11380
  96        2S          0.00000   0.08275  -0.00910   0.00000  -0.05656
  97        3PX         0.00680   0.00000   0.00000  -0.00515   0.00000
  98        3PY         0.00000  -0.00777  -0.00223   0.00000   0.00673
  99        3PZ         0.00000   0.00887  -0.00297   0.00000   0.00397
 100 10  H  1S          0.00000  -0.19743   0.02033   0.00000  -0.11380
 101        2S          0.00000  -0.08275  -0.00910   0.00000  -0.05656
 102        3PX         0.00680   0.00000   0.00000  -0.00515   0.00000
 103        3PY         0.00000  -0.00777   0.00223   0.00000  -0.00673
 104        3PZ         0.00000  -0.00887  -0.00297   0.00000   0.00397
                          21        22        23        24        25
                       (B1G)--O  (B3U)--V   (AU)--V   (AG)--V  (B2U)--V
     Eigenvalues --    -0.35778   0.09274   0.12167   0.19575   0.20894
   1 1   C  1S          0.00000   0.00000   0.00000   0.04315   0.02636
   2        2S          0.00000   0.00000   0.00000  -0.04543  -0.02484
   3        3S          0.00000   0.00000   0.00000  -0.76403  -0.80531
   4        4PX         0.28744  -0.16875   0.28626   0.00000   0.00000
   5        4PY         0.00000   0.00000   0.00000  -0.09066  -0.12819
   6        4PZ         0.00000   0.00000   0.00000  -0.08366  -0.06361
   7        5PX         0.22528  -0.23906   0.50604   0.00000   0.00000
   8        5PY         0.00000   0.00000   0.00000  -0.33962  -0.49429
   9        5PZ         0.00000   0.00000   0.00000  -0.26603  -0.37134
  10        6D 0        0.00000   0.00000   0.00000  -0.00437   0.00017
  11        6D+1       -0.01890   0.03157   0.02448   0.00000   0.00000
  12        6D-1        0.00000   0.00000   0.00000  -0.00054  -0.00290
  13        6D+2        0.00000   0.00000   0.00000   0.00611   0.00891
  14        6D-2       -0.00374  -0.02483  -0.00383   0.00000   0.00000
  15 2   C  1S          0.00000   0.00000   0.00000   0.04315  -0.02636
  16        2S          0.00000   0.00000   0.00000  -0.04543   0.02484
  17        3S          0.00000   0.00000   0.00000  -0.76403   0.80531
  18        4PX        -0.28744  -0.16875  -0.28626   0.00000   0.00000
  19        4PY         0.00000   0.00000   0.00000   0.09066  -0.12819
  20        4PZ         0.00000   0.00000   0.00000  -0.08366   0.06361
  21        5PX        -0.22528  -0.23906  -0.50604   0.00000   0.00000
  22        5PY         0.00000   0.00000   0.00000   0.33962  -0.49429
  23        5PZ         0.00000   0.00000   0.00000  -0.26603   0.37134
  24        6D 0        0.00000   0.00000   0.00000  -0.00437  -0.00017
  25        6D+1        0.01890   0.03157  -0.02448   0.00000   0.00000
  26        6D-1        0.00000   0.00000   0.00000   0.00054  -0.00290
  27        6D+2        0.00000   0.00000   0.00000   0.00611  -0.00891
  28        6D-2       -0.00374   0.02483  -0.00383   0.00000   0.00000
  29 3   C  1S          0.00000   0.00000   0.00000   0.04315   0.02636
  30        2S          0.00000   0.00000   0.00000  -0.04543  -0.02484
  31        3S          0.00000   0.00000   0.00000  -0.76403  -0.80531
  32        4PX         0.28744  -0.16875  -0.28626   0.00000   0.00000
  33        4PY         0.00000   0.00000   0.00000  -0.09066  -0.12819
  34        4PZ         0.00000   0.00000   0.00000   0.08366   0.06361
  35        5PX         0.22528  -0.23906  -0.50604   0.00000   0.00000
  36        5PY         0.00000   0.00000   0.00000  -0.33962  -0.49429
  37        5PZ         0.00000   0.00000   0.00000   0.26603   0.37134
  38        6D 0        0.00000   0.00000   0.00000  -0.00437   0.00017
  39        6D+1        0.01890  -0.03157   0.02448   0.00000   0.00000
  40        6D-1        0.00000   0.00000   0.00000   0.00054   0.00290
  41        6D+2        0.00000   0.00000   0.00000   0.00611   0.00891
  42        6D-2       -0.00374  -0.02483   0.00383   0.00000   0.00000
  43 4   C  1S          0.00000   0.00000   0.00000   0.04315  -0.02636
  44        2S          0.00000   0.00000   0.00000  -0.04543   0.02484
  45        3S          0.00000   0.00000   0.00000  -0.76403   0.80531
  46        4PX        -0.28744  -0.16875   0.28626   0.00000   0.00000
  47        4PY         0.00000   0.00000   0.00000   0.09066  -0.12819
  48        4PZ         0.00000   0.00000   0.00000   0.08366  -0.06361
  49        5PX        -0.22528  -0.23906   0.50604   0.00000   0.00000
  50        5PY         0.00000   0.00000   0.00000   0.33962  -0.49429
  51        5PZ         0.00000   0.00000   0.00000   0.26603  -0.37134
  52        6D 0        0.00000   0.00000   0.00000  -0.00437  -0.00017
  53        6D+1       -0.01890  -0.03157  -0.02448   0.00000   0.00000
  54        6D-1        0.00000   0.00000   0.00000  -0.00054   0.00290
  55        6D+2        0.00000   0.00000   0.00000   0.00611  -0.00891
  56        6D-2       -0.00374   0.02483   0.00383   0.00000   0.00000
  57 5   N  1S          0.00000   0.00000   0.00000   0.00093   0.00000
  58        2S          0.00000   0.00000   0.00000  -0.00241   0.00000
  59        3S          0.00000   0.00000   0.00000   0.00301   0.00000
  60        4PX         0.00000   0.33256   0.00000   0.00000   0.00000
  61        4PY         0.00000   0.00000   0.00000   0.00000  -0.00678
  62        4PZ         0.00000   0.00000   0.00000   0.02525   0.00000
  63        5PX         0.00000   0.46739   0.00000   0.00000   0.00000
  64        5PY         0.00000   0.00000   0.00000   0.00000   0.10722
  65        5PZ         0.00000   0.00000   0.00000   0.13007   0.00000
  66        6D 0        0.00000   0.00000   0.00000   0.00767   0.00000
  67        6D+1        0.00000  -0.00469   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.00000   0.00000   0.00000  -0.00517
  69        6D+2        0.00000   0.00000   0.00000   0.00949   0.00000
  70        6D-2        0.02310   0.00000   0.03020   0.00000   0.00000
  71 6   N  1S          0.00000   0.00000   0.00000   0.00093   0.00000
  72        2S          0.00000   0.00000   0.00000  -0.00241   0.00000
  73        3S          0.00000   0.00000   0.00000   0.00301   0.00000
  74        4PX         0.00000   0.33256   0.00000   0.00000   0.00000
  75        4PY         0.00000   0.00000   0.00000   0.00000  -0.00678
  76        4PZ         0.00000   0.00000   0.00000  -0.02525   0.00000
  77        5PX         0.00000   0.46739   0.00000   0.00000   0.00000
  78        5PY         0.00000   0.00000   0.00000   0.00000   0.10722
  79        5PZ         0.00000   0.00000   0.00000  -0.13007   0.00000
  80        6D 0        0.00000   0.00000   0.00000   0.00767   0.00000
  81        6D+1        0.00000   0.00469   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.00000   0.00000   0.00000   0.00517
  83        6D+2        0.00000   0.00000   0.00000   0.00949   0.00000
  84        6D-2        0.02310   0.00000  -0.03020   0.00000   0.00000
  85 7   H  1S          0.00000   0.00000   0.00000   0.01067   0.00762
  86        2S          0.00000   0.00000   0.00000   1.03144   1.17239
  87        3PX         0.01013  -0.00953   0.01501   0.00000   0.00000
  88        3PY         0.00000   0.00000   0.00000  -0.00991  -0.01573
  89        3PZ         0.00000   0.00000   0.00000  -0.00818  -0.00780
  90 8   H  1S          0.00000   0.00000   0.00000   0.01067  -0.00762
  91        2S          0.00000   0.00000   0.00000   1.03144  -1.17239
  92        3PX        -0.01013  -0.00953  -0.01501   0.00000   0.00000
  93        3PY         0.00000   0.00000   0.00000   0.00991  -0.01573
  94        3PZ         0.00000   0.00000   0.00000  -0.00818   0.00780
  95 9   H  1S          0.00000   0.00000   0.00000   0.01067   0.00762
  96        2S          0.00000   0.00000   0.00000   1.03144   1.17239
  97        3PX         0.01013  -0.00953  -0.01501   0.00000   0.00000
  98        3PY         0.00000   0.00000   0.00000  -0.00991  -0.01573
  99        3PZ         0.00000   0.00000   0.00000   0.00818   0.00780
 100 10  H  1S          0.00000   0.00000   0.00000   0.01067  -0.00762
 101        2S          0.00000   0.00000   0.00000   1.03144  -1.17239
 102        3PX        -0.01013  -0.00953   0.01501   0.00000   0.00000
 103        3PY         0.00000   0.00000   0.00000   0.00991  -0.01573
 104        3PZ         0.00000   0.00000   0.00000   0.00818  -0.00780
                          26        27        28        29        30
                       (B1U)--V  (B3G)--V  (B2G)--V   (AG)--V  (B2U)--V
     Eigenvalues --     0.24242   0.24715   0.33067   0.33207   0.43413
   1 1   C  1S          0.04277   0.04273   0.00000   0.02593  -0.02546
   2        2S         -0.06295  -0.08090   0.00000   0.00499   0.01533
   3        3S         -0.42365  -0.52631   0.00000  -0.83836   1.33963
   4        4PX         0.00000   0.00000   0.23327   0.00000   0.00000
   5        4PY        -0.08697  -0.08547   0.00000   0.06766  -0.05532
   6        4PZ        -0.05399  -0.02219   0.00000  -0.04294  -0.03472
   7        5PX         0.00000   0.00000   0.65394   0.00000   0.00000
   8        5PY        -0.83325  -1.05655   0.00000   0.55823  -0.75794
   9        5PZ        -0.44424  -0.25067   0.00000  -0.48204   0.84235
  10        6D 0        0.00416   0.01662   0.00000   0.00162   0.00650
  11        6D+1        0.00000   0.00000   0.00708   0.00000   0.00000
  12        6D-1       -0.01537  -0.01630   0.00000  -0.01211   0.02217
  13        6D+2       -0.00645  -0.00005   0.00000  -0.00509  -0.01362
  14        6D-2        0.00000   0.00000   0.02002   0.00000   0.00000
  15 2   C  1S          0.04277  -0.04273   0.00000   0.02593   0.02546
  16        2S         -0.06295   0.08090   0.00000   0.00499  -0.01533
  17        3S         -0.42365   0.52631   0.00000  -0.83836  -1.33963
  18        4PX         0.00000   0.00000   0.23327   0.00000   0.00000
  19        4PY         0.08697  -0.08547   0.00000  -0.06766  -0.05532
  20        4PZ        -0.05399   0.02219   0.00000  -0.04294   0.03472
  21        5PX         0.00000   0.00000   0.65394   0.00000   0.00000
  22        5PY         0.83325  -1.05655   0.00000  -0.55823  -0.75794
  23        5PZ        -0.44424   0.25067   0.00000  -0.48204  -0.84235
  24        6D 0        0.00416  -0.01662   0.00000   0.00162  -0.00650
  25        6D+1        0.00000   0.00000   0.00708   0.00000   0.00000
  26        6D-1        0.01537  -0.01630   0.00000   0.01211   0.02217
  27        6D+2       -0.00645   0.00005   0.00000  -0.00509   0.01362
  28        6D-2        0.00000   0.00000  -0.02002   0.00000   0.00000
  29 3   C  1S         -0.04277  -0.04273   0.00000   0.02593  -0.02546
  30        2S          0.06295   0.08090   0.00000   0.00499   0.01533
  31        3S          0.42365   0.52631   0.00000  -0.83836   1.33963
  32        4PX         0.00000   0.00000  -0.23327   0.00000   0.00000
  33        4PY         0.08697   0.08547   0.00000   0.06766  -0.05532
  34        4PZ        -0.05399  -0.02219   0.00000   0.04294   0.03472
  35        5PX         0.00000   0.00000  -0.65394   0.00000   0.00000
  36        5PY         0.83325   1.05655   0.00000   0.55823  -0.75794
  37        5PZ        -0.44424  -0.25067   0.00000   0.48204  -0.84235
  38        6D 0       -0.00416  -0.01662   0.00000   0.00162   0.00650
  39        6D+1        0.00000   0.00000   0.00708   0.00000   0.00000
  40        6D-1       -0.01537  -0.01630   0.00000   0.01211  -0.02217
  41        6D+2        0.00645   0.00005   0.00000  -0.00509  -0.01362
  42        6D-2        0.00000   0.00000  -0.02002   0.00000   0.00000
  43 4   C  1S         -0.04277   0.04273   0.00000   0.02593   0.02546
  44        2S          0.06295  -0.08090   0.00000   0.00499  -0.01533
  45        3S          0.42365  -0.52631   0.00000  -0.83836  -1.33963
  46        4PX         0.00000   0.00000  -0.23327   0.00000   0.00000
  47        4PY        -0.08697   0.08547   0.00000  -0.06766  -0.05532
  48        4PZ        -0.05399   0.02219   0.00000   0.04294  -0.03472
  49        5PX         0.00000   0.00000  -0.65394   0.00000   0.00000
  50        5PY        -0.83325   1.05655   0.00000  -0.55823  -0.75794
  51        5PZ        -0.44424   0.25067   0.00000   0.48204   0.84235
  52        6D 0       -0.00416   0.01662   0.00000   0.00162  -0.00650
  53        6D+1        0.00000   0.00000   0.00708   0.00000   0.00000
  54        6D-1        0.01537  -0.01630   0.00000  -0.01211  -0.02217
  55        6D+2        0.00645  -0.00005   0.00000  -0.00509   0.01362
  56        6D-2        0.00000   0.00000   0.02002   0.00000   0.00000
  57 5   N  1S          0.00098   0.00000   0.00000  -0.09575   0.00000
  58        2S          0.05466   0.00000   0.00000   0.08712   0.00000
  59        3S         -0.48121   0.00000   0.00000   1.74010   0.00000
  60        4PX         0.00000   0.00000  -0.27565   0.00000   0.00000
  61        4PY         0.00000   0.04690   0.00000   0.00000  -0.23481
  62        4PZ        -0.06000   0.00000   0.00000  -0.10231   0.00000
  63        5PX         0.00000   0.00000  -0.55014   0.00000   0.00000
  64        5PY         0.00000  -0.10109   0.00000   0.00000  -1.18704
  65        5PZ         0.17569   0.00000   0.00000  -0.49445   0.00000
  66        6D 0        0.00633   0.00000   0.00000   0.00538   0.00000
  67        6D+1        0.00000   0.00000   0.00154   0.00000   0.00000
  68        6D-1        0.00000   0.01203   0.00000   0.00000   0.02847
  69        6D+2        0.01077   0.00000   0.00000  -0.01726   0.00000
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S         -0.00098   0.00000   0.00000  -0.09575   0.00000
  72        2S         -0.05466   0.00000   0.00000   0.08712   0.00000
  73        3S          0.48121   0.00000   0.00000   1.74010   0.00000
  74        4PX         0.00000   0.00000   0.27565   0.00000   0.00000
  75        4PY         0.00000  -0.04690   0.00000   0.00000  -0.23481
  76        4PZ        -0.06000   0.00000   0.00000   0.10231   0.00000
  77        5PX         0.00000   0.00000   0.55014   0.00000   0.00000
  78        5PY         0.00000   0.10109   0.00000   0.00000  -1.18704
  79        5PZ         0.17569   0.00000   0.00000   0.49445   0.00000
  80        6D 0       -0.00633   0.00000   0.00000   0.00538   0.00000
  81        6D+1        0.00000   0.00000   0.00154   0.00000   0.00000
  82        6D-1        0.00000   0.01203   0.00000   0.00000  -0.02847
  83        6D+2       -0.01077   0.00000   0.00000  -0.01726   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.02410   0.01150   0.00000  -0.01225   0.09082
  86        2S          1.38063   1.43171   0.00000   0.02120  -0.03864
  87        3PX         0.00000   0.00000   0.02224   0.00000   0.00000
  88        3PY        -0.01034  -0.01184   0.00000   0.00279   0.00853
  89        3PZ        -0.00500  -0.00905   0.00000  -0.01685   0.02125
  90 8   H  1S          0.02410  -0.01150   0.00000  -0.01225  -0.09082
  91        2S          1.38063  -1.43171   0.00000   0.02120   0.03864
  92        3PX         0.00000   0.00000   0.02224   0.00000   0.00000
  93        3PY         0.01034  -0.01184   0.00000  -0.00279   0.00853
  94        3PZ        -0.00500   0.00905   0.00000  -0.01685  -0.02125
  95 9   H  1S         -0.02410  -0.01150   0.00000  -0.01225   0.09082
  96        2S         -1.38063  -1.43171   0.00000   0.02120  -0.03864
  97        3PX         0.00000   0.00000  -0.02224   0.00000   0.00000
  98        3PY         0.01034   0.01184   0.00000   0.00279   0.00853
  99        3PZ        -0.00500  -0.00905   0.00000   0.01685  -0.02125
 100 10  H  1S         -0.02410   0.01150   0.00000  -0.01225  -0.09082
 101        2S         -1.38063   1.43171   0.00000   0.02120   0.03864
 102        3PX         0.00000   0.00000  -0.02224   0.00000   0.00000
 103        3PY        -0.01034   0.01184   0.00000  -0.00279   0.00853
 104        3PZ        -0.00500   0.00905   0.00000   0.01685   0.02125
                          31        32        33        34        35
                       (B1U)--V  (B3G)--V  (B1U)--V  (B3G)--V   (AG)--V
     Eigenvalues --     0.45910   0.46370   0.57855   0.60784   0.63275
   1 1   C  1S          0.02334   0.06936  -0.08007   0.07100   0.02149
   2        2S         -0.02475  -0.07413  -0.05342  -0.07933   0.20768
   3        3S          0.13035  -2.21839   3.33607  -1.17234  -0.30963
   4        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
   5        4PY         0.05530   0.10240   0.11039   0.03206  -0.03881
   6        4PZ        -0.07922   0.10469  -0.24547   0.10208  -0.21442
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        5PY         1.22501   0.07848  -1.30689   2.05638   0.08736
   9        5PZ        -1.23916   2.50506  -1.94157  -1.31105   0.14702
  10        6D 0        0.02111  -0.00062  -0.03766   0.05512   0.03996
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.02400  -0.01539  -0.02136   0.03327   0.12156
  13        6D+2       -0.00026  -0.00175  -0.02187  -0.01366  -0.11828
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S          0.02334  -0.06936  -0.08007  -0.07100   0.02149
  16        2S         -0.02475   0.07413  -0.05342   0.07933   0.20768
  17        3S          0.13035   2.21839   3.33607   1.17234  -0.30963
  18        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  19        4PY        -0.05530   0.10240  -0.11039   0.03206   0.03881
  20        4PZ        -0.07922  -0.10469  -0.24547  -0.10208  -0.21442
  21        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  22        5PY        -1.22501   0.07848   1.30689   2.05638  -0.08736
  23        5PZ        -1.23916  -2.50506  -1.94157   1.31105   0.14702
  24        6D 0        0.02111   0.00062  -0.03766  -0.05512   0.03996
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  26        6D-1       -0.02400  -0.01539   0.02136   0.03327  -0.12156
  27        6D+2       -0.00026   0.00175  -0.02187   0.01366  -0.11828
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  29 3   C  1S         -0.02334  -0.06936   0.08007  -0.07100   0.02149
  30        2S          0.02475   0.07413   0.05342   0.07933   0.20768
  31        3S         -0.13035   2.21839  -3.33607   1.17234  -0.30963
  32        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  33        4PY        -0.05530  -0.10240  -0.11039  -0.03206  -0.03881
  34        4PZ        -0.07922   0.10469  -0.24547   0.10208   0.21442
  35        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  36        5PY        -1.22501  -0.07848   1.30689  -2.05638   0.08736
  37        5PZ        -1.23916   2.50506  -1.94157  -1.31105  -0.14702
  38        6D 0       -0.02111   0.00062   0.03766  -0.05512   0.03996
  39        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  40        6D-1        0.02400  -0.01539  -0.02136   0.03327  -0.12156
  41        6D+2        0.00026   0.00175   0.02187   0.01366  -0.11828
  42        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S         -0.02334   0.06936   0.08007   0.07100   0.02149
  44        2S          0.02475  -0.07413   0.05342  -0.07933   0.20768
  45        3S         -0.13035  -2.21839  -3.33607  -1.17234  -0.30963
  46        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  47        4PY         0.05530  -0.10240   0.11039  -0.03206   0.03881
  48        4PZ        -0.07922  -0.10469  -0.24547  -0.10208   0.21442
  49        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  50        5PY         1.22501  -0.07848  -1.30689  -2.05638  -0.08736
  51        5PZ        -1.23916  -2.50506  -1.94157   1.31105  -0.14702
  52        6D 0       -0.02111  -0.00062   0.03766   0.05512   0.03996
  53        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  54        6D-1       -0.02400  -0.01539   0.02136   0.03327   0.12156
  55        6D+2        0.00026  -0.00175   0.02187  -0.01366  -0.11828
  56        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  57 5   N  1S         -0.09979   0.00000   0.03099   0.00000  -0.02588
  58        2S          0.06621   0.00000   0.02954   0.00000   0.03622
  59        3S          2.51943   0.00000  -1.50799   0.00000   0.40612
  60        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000   0.02708   0.00000   0.26164   0.00000
  62        4PZ         0.03724   0.00000   0.08211   0.00000   0.08576
  63        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000  -0.44807   0.00000   1.77688   0.00000
  65        5PZ        -0.40067   0.00000   1.00078   0.00000  -0.21409
  66        6D 0        0.01183   0.00000  -0.00318   0.00000   0.03767
  67        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.05020   0.00000  -0.02561   0.00000
  69        6D+2       -0.01636   0.00000   0.06195   0.00000  -0.01627
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.09979   0.00000  -0.03099   0.00000  -0.02588
  72        2S         -0.06621   0.00000  -0.02954   0.00000   0.03622
  73        3S         -2.51943   0.00000   1.50799   0.00000   0.40612
  74        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000  -0.02708   0.00000  -0.26164   0.00000
  76        4PZ         0.03724   0.00000   0.08211   0.00000  -0.08576
  77        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000   0.44807   0.00000  -1.77688   0.00000
  79        5PZ        -0.40067   0.00000   1.00078   0.00000   0.21409
  80        6D 0       -0.01183   0.00000   0.00318   0.00000   0.03767
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.05020   0.00000  -0.02561   0.00000
  83        6D+2        0.01636   0.00000  -0.06195   0.00000  -0.01627
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.12038  -0.00474  -0.06942   0.18721   0.38432
  86        2S         -0.04711  -0.79765   0.73981  -0.33774  -0.26372
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  88        3PY         0.01218   0.00140   0.01152   0.01427   0.07389
  89        3PZ         0.00416  -0.00420  -0.03223   0.03526   0.05583
  90 8   H  1S          0.12038   0.00474  -0.06942  -0.18721   0.38432
  91        2S         -0.04711   0.79765   0.73981   0.33774  -0.26372
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY        -0.01218   0.00140  -0.01152   0.01427  -0.07389
  94        3PZ         0.00416   0.00420  -0.03223  -0.03526   0.05583
  95 9   H  1S         -0.12038   0.00474   0.06942  -0.18721   0.38432
  96        2S          0.04711   0.79765  -0.73981   0.33774  -0.26372
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  98        3PY        -0.01218  -0.00140  -0.01152  -0.01427   0.07389
  99        3PZ         0.00416  -0.00420  -0.03223   0.03526  -0.05583
 100 10  H  1S         -0.12038  -0.00474   0.06942   0.18721   0.38432
 101        2S          0.04711  -0.79765  -0.73981  -0.33774  -0.26372
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.01218  -0.00140   0.01152  -0.01427  -0.07389
 104        3PZ         0.00416   0.00420  -0.03223  -0.03526  -0.05583
                          36        37        38        39        40
                       (B2U)--V  (B3U)--V  (B2U)--V  (B1G)--V   (AG)--V
     Eigenvalues --     0.64085   0.65510   0.70075   0.70309   0.70971
   1 1   C  1S         -0.00032   0.00000  -0.04287   0.00000  -0.01369
   2        2S         -0.16523   0.00000  -0.26400   0.00000   0.46791
   3        3S          0.45057   0.00000   0.68336   0.00000  -0.33757
   4        4PX         0.00000   0.48755   0.00000  -0.47578   0.00000
   5        4PY         0.27750   0.00000  -0.01331   0.00000  -0.11090
   6        4PZ        -0.17823   0.00000   0.32429   0.00000  -0.14332
   7        5PX         0.00000  -0.44071   0.00000   0.50547   0.00000
   8        5PY        -0.36550   0.00000  -0.34958   0.00000   0.10848
   9        5PZ         0.46037   0.00000  -0.17992   0.00000   0.40377
  10        6D 0        0.03409   0.00000  -0.06457   0.00000   0.09070
  11        6D+1        0.00000  -0.05850   0.00000   0.07449   0.00000
  12        6D-1       -0.12992   0.00000  -0.03055   0.00000  -0.06842
  13        6D+2        0.01978   0.00000   0.10937   0.00000   0.05016
  14        6D-2        0.00000  -0.00667   0.00000   0.05598   0.00000
  15 2   C  1S          0.00032   0.00000   0.04287   0.00000  -0.01369
  16        2S          0.16523   0.00000   0.26400   0.00000   0.46791
  17        3S         -0.45057   0.00000  -0.68336   0.00000  -0.33757
  18        4PX         0.00000   0.48755   0.00000   0.47578   0.00000
  19        4PY         0.27750   0.00000  -0.01331   0.00000   0.11090
  20        4PZ         0.17823   0.00000  -0.32429   0.00000  -0.14332
  21        5PX         0.00000  -0.44071   0.00000  -0.50547   0.00000
  22        5PY        -0.36550   0.00000  -0.34958   0.00000  -0.10848
  23        5PZ        -0.46037   0.00000   0.17992   0.00000   0.40377
  24        6D 0       -0.03409   0.00000   0.06457   0.00000   0.09070
  25        6D+1        0.00000  -0.05850   0.00000  -0.07449   0.00000
  26        6D-1       -0.12992   0.00000  -0.03055   0.00000   0.06842
  27        6D+2       -0.01978   0.00000  -0.10937   0.00000   0.05016
  28        6D-2        0.00000   0.00667   0.00000   0.05598   0.00000
  29 3   C  1S         -0.00032   0.00000  -0.04287   0.00000  -0.01369
  30        2S         -0.16523   0.00000  -0.26400   0.00000   0.46791
  31        3S          0.45057   0.00000   0.68336   0.00000  -0.33757
  32        4PX         0.00000   0.48755   0.00000  -0.47578   0.00000
  33        4PY         0.27750   0.00000  -0.01331   0.00000  -0.11090
  34        4PZ         0.17823   0.00000  -0.32429   0.00000   0.14332
  35        5PX         0.00000  -0.44071   0.00000   0.50547   0.00000
  36        5PY        -0.36550   0.00000  -0.34958   0.00000   0.10848
  37        5PZ        -0.46037   0.00000   0.17992   0.00000  -0.40377
  38        6D 0        0.03409   0.00000  -0.06457   0.00000   0.09070
  39        6D+1        0.00000   0.05850   0.00000  -0.07449   0.00000
  40        6D-1        0.12992   0.00000   0.03055   0.00000   0.06842
  41        6D+2        0.01978   0.00000   0.10937   0.00000   0.05016
  42        6D-2        0.00000  -0.00667   0.00000   0.05598   0.00000
  43 4   C  1S          0.00032   0.00000   0.04287   0.00000  -0.01369
  44        2S          0.16523   0.00000   0.26400   0.00000   0.46791
  45        3S         -0.45057   0.00000  -0.68336   0.00000  -0.33757
  46        4PX         0.00000   0.48755   0.00000   0.47578   0.00000
  47        4PY         0.27750   0.00000  -0.01331   0.00000   0.11090
  48        4PZ        -0.17823   0.00000   0.32429   0.00000   0.14332
  49        5PX         0.00000  -0.44071   0.00000  -0.50547   0.00000
  50        5PY        -0.36550   0.00000  -0.34958   0.00000  -0.10848
  51        5PZ         0.46037   0.00000  -0.17992   0.00000  -0.40377
  52        6D 0       -0.03409   0.00000   0.06457   0.00000   0.09070
  53        6D+1        0.00000   0.05850   0.00000   0.07449   0.00000
  54        6D-1        0.12992   0.00000   0.03055   0.00000  -0.06842
  55        6D+2       -0.01978   0.00000  -0.10937   0.00000   0.05016
  56        6D-2        0.00000   0.00667   0.00000   0.05598   0.00000
  57 5   N  1S          0.00000   0.00000   0.00000   0.00000   0.00862
  58        2S          0.00000   0.00000   0.00000   0.00000   0.03414
  59        3S          0.00000   0.00000   0.00000   0.00000  -0.07316
  60        4PX         0.00000   0.05539   0.00000   0.00000   0.00000
  61        4PY         0.07888   0.00000  -0.19982   0.00000   0.00000
  62        4PZ         0.00000   0.00000   0.00000   0.00000  -0.11768
  63        5PX         0.00000   0.14546   0.00000   0.00000   0.00000
  64        5PY        -0.15572   0.00000  -0.45543   0.00000   0.00000
  65        5PZ         0.00000   0.00000   0.00000   0.00000  -0.23757
  66        6D 0        0.00000   0.00000   0.00000   0.00000  -0.01373
  67        6D+1        0.00000  -0.02911   0.00000   0.00000   0.00000
  68        6D-1        0.09121   0.00000  -0.01722   0.00000   0.00000
  69        6D+2        0.00000   0.00000   0.00000   0.00000  -0.04383
  70        6D-2        0.00000   0.00000   0.00000  -0.03849   0.00000
  71 6   N  1S          0.00000   0.00000   0.00000   0.00000   0.00862
  72        2S          0.00000   0.00000   0.00000   0.00000   0.03414
  73        3S          0.00000   0.00000   0.00000   0.00000  -0.07316
  74        4PX         0.00000   0.05539   0.00000   0.00000   0.00000
  75        4PY         0.07888   0.00000  -0.19982   0.00000   0.00000
  76        4PZ         0.00000   0.00000   0.00000   0.00000   0.11768
  77        5PX         0.00000   0.14546   0.00000   0.00000   0.00000
  78        5PY        -0.15572   0.00000  -0.45543   0.00000   0.00000
  79        5PZ         0.00000   0.00000   0.00000   0.00000   0.23757
  80        6D 0        0.00000   0.00000   0.00000   0.00000  -0.01373
  81        6D+1        0.00000   0.02911   0.00000   0.00000   0.00000
  82        6D-1       -0.09121   0.00000   0.01722   0.00000   0.00000
  83        6D+2        0.00000   0.00000   0.00000   0.00000  -0.04383
  84        6D-2        0.00000   0.00000   0.00000  -0.03849   0.00000
  85 7   H  1S         -0.31998   0.00000  -0.27595   0.00000  -0.24075
  86        2S          0.27769   0.00000   0.24597   0.00000   0.26035
  87        3PX         0.00000   0.02130   0.00000   0.00346   0.00000
  88        3PY        -0.05370   0.00000  -0.05770   0.00000  -0.05297
  89        3PZ        -0.02979   0.00000  -0.03146   0.00000  -0.00075
  90 8   H  1S          0.31998   0.00000   0.27595   0.00000  -0.24075
  91        2S         -0.27769   0.00000  -0.24597   0.00000   0.26035
  92        3PX         0.00000   0.02130   0.00000  -0.00346   0.00000
  93        3PY        -0.05370   0.00000  -0.05770   0.00000   0.05297
  94        3PZ         0.02979   0.00000   0.03146   0.00000  -0.00075
  95 9   H  1S         -0.31998   0.00000  -0.27595   0.00000  -0.24075
  96        2S          0.27769   0.00000   0.24597   0.00000   0.26035
  97        3PX         0.00000   0.02130   0.00000   0.00346   0.00000
  98        3PY        -0.05370   0.00000  -0.05770   0.00000  -0.05297
  99        3PZ         0.02979   0.00000   0.03146   0.00000   0.00075
 100 10  H  1S          0.31998   0.00000   0.27595   0.00000  -0.24075
 101        2S         -0.27769   0.00000  -0.24597   0.00000   0.26035
 102        3PX         0.00000   0.02130   0.00000  -0.00346   0.00000
 103        3PY        -0.05370   0.00000  -0.05770   0.00000   0.05297
 104        3PZ        -0.02979   0.00000  -0.03146   0.00000   0.00075
                          41        42        43        44        45
                       (B2G)--V   (AG)--V  (B1U)--V   (AU)--V  (B3G)--V
     Eigenvalues --     0.74989   0.77172   0.77838   0.80183   0.85822
   1 1   C  1S          0.00000  -0.02836   0.04010   0.00000   0.01831
   2        2S          0.00000   0.16868  -0.21282   0.00000  -0.00313
   3        3S          0.00000  -0.56024  -0.98943   0.00000  -0.79750
   4        4PX        -0.51465   0.00000   0.00000  -0.52351   0.00000
   5        4PY         0.00000  -0.26055   0.08687   0.00000  -0.46163
   6        4PZ         0.00000   0.23083  -0.25406   0.00000  -0.10741
   7        5PX         0.83137   0.00000   0.00000   0.92935   0.00000
   8        5PY         0.00000   0.40092  -0.03525   0.00000   1.10394
   9        5PZ         0.00000  -0.46690   1.53948   0.00000   1.51227
  10        6D 0        0.00000   0.06114  -0.15948   0.00000  -0.07345
  11        6D+1       -0.04775   0.00000   0.00000  -0.05051   0.00000
  12        6D-1        0.00000   0.14690   0.05999   0.00000   0.05562
  13        6D+2        0.00000   0.10926  -0.14861   0.00000  -0.04722
  14        6D-2        0.03046   0.00000   0.00000   0.03344   0.00000
  15 2   C  1S          0.00000  -0.02836   0.04010   0.00000  -0.01831
  16        2S          0.00000   0.16868  -0.21282   0.00000   0.00313
  17        3S          0.00000  -0.56024  -0.98943   0.00000   0.79750
  18        4PX        -0.51465   0.00000   0.00000   0.52351   0.00000
  19        4PY         0.00000   0.26055  -0.08687   0.00000  -0.46163
  20        4PZ         0.00000   0.23083  -0.25406   0.00000   0.10741
  21        5PX         0.83137   0.00000   0.00000  -0.92935   0.00000
  22        5PY         0.00000  -0.40092   0.03525   0.00000   1.10394
  23        5PZ         0.00000  -0.46690   1.53948   0.00000  -1.51227
  24        6D 0        0.00000   0.06114  -0.15948   0.00000   0.07345
  25        6D+1       -0.04775   0.00000   0.00000   0.05051   0.00000
  26        6D-1        0.00000  -0.14690  -0.05999   0.00000   0.05562
  27        6D+2        0.00000   0.10926  -0.14861   0.00000   0.04722
  28        6D-2       -0.03046   0.00000   0.00000   0.03344   0.00000
  29 3   C  1S          0.00000  -0.02836  -0.04010   0.00000  -0.01831
  30        2S          0.00000   0.16868   0.21282   0.00000   0.00313
  31        3S          0.00000  -0.56024   0.98943   0.00000   0.79750
  32        4PX         0.51465   0.00000   0.00000   0.52351   0.00000
  33        4PY         0.00000  -0.26055  -0.08687   0.00000   0.46163
  34        4PZ         0.00000  -0.23083  -0.25406   0.00000  -0.10741
  35        5PX        -0.83137   0.00000   0.00000  -0.92935   0.00000
  36        5PY         0.00000   0.40092   0.03525   0.00000  -1.10394
  37        5PZ         0.00000   0.46690   1.53948   0.00000   1.51227
  38        6D 0        0.00000   0.06114   0.15948   0.00000   0.07345
  39        6D+1       -0.04775   0.00000   0.00000  -0.05051   0.00000
  40        6D-1        0.00000  -0.14690   0.05999   0.00000   0.05562
  41        6D+2        0.00000   0.10926   0.14861   0.00000   0.04722
  42        6D-2       -0.03046   0.00000   0.00000  -0.03344   0.00000
  43 4   C  1S          0.00000  -0.02836  -0.04010   0.00000   0.01831
  44        2S          0.00000   0.16868   0.21282   0.00000  -0.00313
  45        3S          0.00000  -0.56024   0.98943   0.00000  -0.79750
  46        4PX         0.51465   0.00000   0.00000  -0.52351   0.00000
  47        4PY         0.00000   0.26055   0.08687   0.00000   0.46163
  48        4PZ         0.00000  -0.23083  -0.25406   0.00000   0.10741
  49        5PX        -0.83137   0.00000   0.00000   0.92935   0.00000
  50        5PY         0.00000  -0.40092  -0.03525   0.00000  -1.10394
  51        5PZ         0.00000   0.46690   1.53948   0.00000  -1.51227
  52        6D 0        0.00000   0.06114   0.15948   0.00000  -0.07345
  53        6D+1       -0.04775   0.00000   0.00000   0.05051   0.00000
  54        6D-1        0.00000   0.14690  -0.05999   0.00000   0.05562
  55        6D+2        0.00000   0.10926   0.14861   0.00000  -0.04722
  56        6D-2        0.03046   0.00000   0.00000  -0.03344   0.00000
  57 5   N  1S          0.00000   0.01848  -0.01776   0.00000   0.00000
  58        2S          0.00000  -0.19793   0.08652   0.00000   0.00000
  59        3S          0.00000   1.13034  -0.58022   0.00000   0.00000
  60        4PX        -0.07802   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000   0.00000   0.00000   0.00000  -0.08595
  62        4PZ         0.00000   0.39590  -0.24872   0.00000   0.00000
  63        5PX        -0.15638   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000   0.00000   0.00000   0.00000  -0.46324
  65        5PZ         0.00000  -0.32831  -0.01450   0.00000   0.00000
  66        6D 0        0.00000  -0.01313   0.03447   0.00000   0.00000
  67        6D+1        0.05328   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.00000   0.00000   0.00000  -0.06283
  69        6D+2        0.00000  -0.12083   0.07638   0.00000   0.00000
  70        6D-2        0.00000   0.00000   0.00000  -0.04175   0.00000
  71 6   N  1S          0.00000   0.01848   0.01776   0.00000   0.00000
  72        2S          0.00000  -0.19793  -0.08652   0.00000   0.00000
  73        3S          0.00000   1.13034   0.58022   0.00000   0.00000
  74        4PX         0.07802   0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000   0.00000   0.00000   0.00000   0.08595
  76        4PZ         0.00000  -0.39590  -0.24872   0.00000   0.00000
  77        5PX         0.15638   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000   0.00000   0.00000   0.00000   0.46324
  79        5PZ         0.00000   0.32831  -0.01450   0.00000   0.00000
  80        6D 0        0.00000  -0.01313  -0.03447   0.00000   0.00000
  81        6D+1        0.05328   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.00000   0.00000   0.00000  -0.06283
  83        6D+2        0.00000  -0.12083  -0.07638   0.00000   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.04175   0.00000
  85 7   H  1S          0.00000  -0.00108   0.24135   0.00000   0.19007
  86        2S          0.00000   0.00447  -0.82074   0.00000  -1.20124
  87        3PX        -0.01762   0.00000   0.00000   0.00454   0.00000
  88        3PY         0.00000  -0.00375   0.09914   0.00000   0.10708
  89        3PZ         0.00000   0.00843   0.02977   0.00000   0.08909
  90 8   H  1S          0.00000  -0.00108   0.24135   0.00000  -0.19007
  91        2S          0.00000   0.00447  -0.82074   0.00000   1.20124
  92        3PX        -0.01762   0.00000   0.00000  -0.00454   0.00000
  93        3PY         0.00000   0.00375  -0.09914   0.00000   0.10708
  94        3PZ         0.00000   0.00843   0.02977   0.00000  -0.08909
  95 9   H  1S          0.00000  -0.00108  -0.24135   0.00000  -0.19007
  96        2S          0.00000   0.00447   0.82074   0.00000   1.20124
  97        3PX         0.01762   0.00000   0.00000  -0.00454   0.00000
  98        3PY         0.00000  -0.00375  -0.09914   0.00000  -0.10708
  99        3PZ         0.00000  -0.00843   0.02977   0.00000   0.08909
 100 10  H  1S          0.00000  -0.00108  -0.24135   0.00000   0.19007
 101        2S          0.00000   0.00447   0.82074   0.00000  -1.20124
 102        3PX         0.01762   0.00000   0.00000   0.00454   0.00000
 103        3PY         0.00000   0.00375   0.09914   0.00000  -0.10708
 104        3PZ         0.00000  -0.00843   0.02977   0.00000  -0.08909
                          46        47        48        49        50
                       (B2U)--V  (B3G)--V  (B1U)--V   (AG)--V  (B3U)--V
     Eigenvalues --     0.91124   0.93816   0.95385   0.97819   1.07219
   1 1   C  1S          0.00926  -0.00039  -0.03139  -0.01245   0.00000
   2        2S         -0.54782  -0.05550   0.17407  -0.43342   0.00000
   3        3S          1.35126  -1.01657  -0.50665   1.43024   0.00000
   4        4PX         0.00000   0.00000   0.00000   0.00000   0.05313
   5        4PY        -0.27166   0.11374  -0.46544  -0.37284   0.00000
   6        4PZ        -0.18608  -0.49060  -0.23078  -0.11746   0.00000
   7        5PX         0.00000   0.00000   0.00000   0.00000  -0.00251
   8        5PY         1.00691   1.16331   1.42010   0.68006   0.00000
   9        5PZ         0.74889   0.68615   0.71958   0.47109   0.00000
  10        6D 0       -0.03914  -0.15482  -0.09048  -0.05692   0.00000
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.20309
  12        6D-1        0.08795  -0.05016   0.09046   0.10065   0.00000
  13        6D+2       -0.00912  -0.01164   0.02045  -0.08966   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.28910
  15 2   C  1S         -0.00926   0.00039  -0.03139  -0.01245   0.00000
  16        2S          0.54782   0.05550   0.17407  -0.43342   0.00000
  17        3S         -1.35126   1.01657  -0.50665   1.43024   0.00000
  18        4PX         0.00000   0.00000   0.00000   0.00000   0.05313
  19        4PY        -0.27166   0.11374   0.46544   0.37284   0.00000
  20        4PZ         0.18608   0.49060  -0.23078  -0.11746   0.00000
  21        5PX         0.00000   0.00000   0.00000   0.00000  -0.00251
  22        5PY         1.00691   1.16331  -1.42010  -0.68006   0.00000
  23        5PZ        -0.74889  -0.68615   0.71958   0.47109   0.00000
  24        6D 0        0.03914   0.15482  -0.09048  -0.05692   0.00000
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.20309
  26        6D-1        0.08795  -0.05016  -0.09046  -0.10065   0.00000
  27        6D+2        0.00912   0.01164   0.02045  -0.08966   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000  -0.28910
  29 3   C  1S          0.00926   0.00039   0.03139  -0.01245   0.00000
  30        2S         -0.54782   0.05550  -0.17407  -0.43342   0.00000
  31        3S          1.35126   1.01657   0.50665   1.43024   0.00000
  32        4PX         0.00000   0.00000   0.00000   0.00000   0.05313
  33        4PY        -0.27166  -0.11374   0.46544  -0.37284   0.00000
  34        4PZ         0.18608  -0.49060  -0.23078   0.11746   0.00000
  35        5PX         0.00000   0.00000   0.00000   0.00000  -0.00251
  36        5PY         1.00691  -1.16331  -1.42010   0.68006   0.00000
  37        5PZ        -0.74889   0.68615   0.71958  -0.47109   0.00000
  38        6D 0       -0.03914   0.15482   0.09048  -0.05692   0.00000
  39        6D+1        0.00000   0.00000   0.00000   0.00000  -0.20309
  40        6D-1       -0.08795  -0.05016   0.09046  -0.10065   0.00000
  41        6D+2       -0.00912   0.01164  -0.02045  -0.08966   0.00000
  42        6D-2        0.00000   0.00000   0.00000   0.00000   0.28910
  43 4   C  1S         -0.00926  -0.00039   0.03139  -0.01245   0.00000
  44        2S          0.54782  -0.05550  -0.17407  -0.43342   0.00000
  45        3S         -1.35126  -1.01657   0.50665   1.43024   0.00000
  46        4PX         0.00000   0.00000   0.00000   0.00000   0.05313
  47        4PY        -0.27166  -0.11374  -0.46544   0.37284   0.00000
  48        4PZ        -0.18608   0.49060  -0.23078   0.11746   0.00000
  49        5PX         0.00000   0.00000   0.00000   0.00000  -0.00251
  50        5PY         1.00691  -1.16331   1.42010  -0.68006   0.00000
  51        5PZ         0.74889  -0.68615   0.71958  -0.47109   0.00000
  52        6D 0        0.03914  -0.15482   0.09048  -0.05692   0.00000
  53        6D+1        0.00000   0.00000   0.00000   0.00000  -0.20309
  54        6D-1       -0.08795  -0.05016  -0.09046   0.10065   0.00000
  55        6D+2        0.00912  -0.01164  -0.02045  -0.08966   0.00000
  56        6D-2        0.00000   0.00000   0.00000   0.00000  -0.28910
  57 5   N  1S          0.00000   0.00000   0.02874   0.01861   0.00000
  58        2S          0.00000   0.00000  -0.23753  -0.09029   0.00000
  59        3S          0.00000   0.00000   1.10359  -0.15501   0.00000
  60        4PX         0.00000   0.00000   0.00000   0.00000   0.18560
  61        4PY        -0.00374   0.23456   0.00000   0.00000   0.00000
  62        4PZ         0.00000   0.00000   0.23046  -0.17719   0.00000
  63        5PX         0.00000   0.00000   0.00000   0.00000  -0.06857
  64        5PY        -0.10369   0.62730   0.00000   0.00000   0.00000
  65        5PZ         0.00000   0.00000  -0.26687   0.19184   0.00000
  66        6D 0        0.00000   0.00000   0.05907   0.01927   0.00000
  67        6D+1        0.00000   0.00000   0.00000   0.00000   0.07568
  68        6D-1        0.00849   0.05165   0.00000   0.00000   0.00000
  69        6D+2        0.00000   0.00000  -0.06909  -0.00895   0.00000
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000   0.00000  -0.02874   0.01861   0.00000
  72        2S          0.00000   0.00000   0.23753  -0.09029   0.00000
  73        3S          0.00000   0.00000  -1.10359  -0.15501   0.00000
  74        4PX         0.00000   0.00000   0.00000   0.00000   0.18560
  75        4PY        -0.00374  -0.23456   0.00000   0.00000   0.00000
  76        4PZ         0.00000   0.00000   0.23046   0.17719   0.00000
  77        5PX         0.00000   0.00000   0.00000   0.00000  -0.06857
  78        5PY        -0.10369  -0.62730   0.00000   0.00000   0.00000
  79        5PZ         0.00000   0.00000  -0.26687  -0.19184   0.00000
  80        6D 0        0.00000   0.00000  -0.05907   0.01927   0.00000
  81        6D+1        0.00000   0.00000   0.00000   0.00000  -0.07568
  82        6D-1       -0.00849   0.05165   0.00000   0.00000   0.00000
  83        6D+2        0.00000   0.00000   0.06909  -0.00895   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S         -0.16667  -0.13689  -0.07329  -0.15304   0.00000
  86        2S         -1.14470  -0.59280  -0.85541  -0.95417   0.00000
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.14606
  88        3PY         0.12371   0.05333   0.07443   0.13302   0.00000
  89        3PZ         0.05012  -0.05858   0.06557   0.06731   0.00000
  90 8   H  1S          0.16667   0.13689  -0.07329  -0.15304   0.00000
  91        2S          1.14470   0.59280  -0.85541  -0.95417   0.00000
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.14606
  93        3PY         0.12371   0.05333  -0.07443  -0.13302   0.00000
  94        3PZ        -0.05012   0.05858   0.06557   0.06731   0.00000
  95 9   H  1S         -0.16667   0.13689   0.07329  -0.15304   0.00000
  96        2S         -1.14470   0.59280   0.85541  -0.95417   0.00000
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.14606
  98        3PY         0.12371  -0.05333  -0.07443   0.13302   0.00000
  99        3PZ        -0.05012  -0.05858   0.06557  -0.06731   0.00000
 100 10  H  1S          0.16667  -0.13689   0.07329  -0.15304   0.00000
 101        2S          1.14470  -0.59280   0.85541  -0.95417   0.00000
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.14606
 103        3PY         0.12371  -0.05333   0.07443  -0.13302   0.00000
 104        3PZ         0.05012   0.05858   0.06557  -0.06731   0.00000
                          51        52        53        54        55
                       (B1U)--V   (AG)--V  (B3U)--V  (B1U)--V  (B2U)--V
     Eigenvalues --     1.07381   1.07693   1.10380   1.10956   1.14433
   1 1   C  1S         -0.01005   0.00189   0.00000  -0.01713  -0.00439
   2        2S         -0.65779   0.39460   0.00000  -0.37972   0.38163
   3        3S          0.89979  -0.47779   0.00000   4.45496  -1.58400
   4        4PX         0.00000   0.00000   0.05414   0.00000   0.00000
   5        4PY         0.04072  -0.07681   0.00000  -0.20494  -0.09671
   6        4PZ        -0.10401   0.21925   0.00000   0.29155  -0.02635
   7        5PX         0.00000   0.00000  -0.27334   0.00000   0.00000
   8        5PY         0.37640  -0.35454   0.00000  -1.75607   1.14956
   9        5PZ         0.31072  -0.63807   0.00000  -2.74077  -0.33486
  10        6D 0        0.09659  -0.04134   0.00000   0.14445   0.09028
  11        6D+1        0.00000   0.00000   0.00570   0.00000   0.00000
  12        6D-1       -0.03418   0.02900   0.00000   0.09380   0.18773
  13        6D+2        0.12874  -0.16677   0.00000  -0.09490   0.06168
  14        6D-2        0.00000   0.00000   0.11289   0.00000   0.00000
  15 2   C  1S         -0.01005   0.00189   0.00000  -0.01713   0.00439
  16        2S         -0.65779   0.39460   0.00000  -0.37972  -0.38163
  17        3S          0.89979  -0.47779   0.00000   4.45496   1.58400
  18        4PX         0.00000   0.00000   0.05414   0.00000   0.00000
  19        4PY        -0.04072   0.07681   0.00000   0.20494  -0.09671
  20        4PZ        -0.10401   0.21925   0.00000   0.29155   0.02635
  21        5PX         0.00000   0.00000  -0.27334   0.00000   0.00000
  22        5PY        -0.37640   0.35454   0.00000   1.75607   1.14956
  23        5PZ         0.31072  -0.63807   0.00000  -2.74077   0.33486
  24        6D 0        0.09659  -0.04134   0.00000   0.14445  -0.09028
  25        6D+1        0.00000   0.00000   0.00570   0.00000   0.00000
  26        6D-1        0.03418  -0.02900   0.00000  -0.09380   0.18773
  27        6D+2        0.12874  -0.16677   0.00000  -0.09490  -0.06168
  28        6D-2        0.00000   0.00000  -0.11289   0.00000   0.00000
  29 3   C  1S          0.01005   0.00189   0.00000   0.01713  -0.00439
  30        2S          0.65779   0.39460   0.00000   0.37972   0.38163
  31        3S         -0.89979  -0.47779   0.00000  -4.45496  -1.58400
  32        4PX         0.00000   0.00000   0.05414   0.00000   0.00000
  33        4PY        -0.04072  -0.07681   0.00000   0.20494  -0.09671
  34        4PZ        -0.10401  -0.21925   0.00000   0.29155   0.02635
  35        5PX         0.00000   0.00000  -0.27334   0.00000   0.00000
  36        5PY        -0.37640  -0.35454   0.00000   1.75607   1.14956
  37        5PZ         0.31072   0.63807   0.00000  -2.74077   0.33486
  38        6D 0       -0.09659  -0.04134   0.00000  -0.14445   0.09028
  39        6D+1        0.00000   0.00000  -0.00570   0.00000   0.00000
  40        6D-1       -0.03418  -0.02900   0.00000   0.09380  -0.18773
  41        6D+2       -0.12874  -0.16677   0.00000   0.09490   0.06168
  42        6D-2        0.00000   0.00000   0.11289   0.00000   0.00000
  43 4   C  1S          0.01005   0.00189   0.00000   0.01713   0.00439
  44        2S          0.65779   0.39460   0.00000   0.37972  -0.38163
  45        3S         -0.89979  -0.47779   0.00000  -4.45496   1.58400
  46        4PX         0.00000   0.00000   0.05414   0.00000   0.00000
  47        4PY         0.04072   0.07681   0.00000  -0.20494  -0.09671
  48        4PZ        -0.10401  -0.21925   0.00000   0.29155  -0.02635
  49        5PX         0.00000   0.00000  -0.27334   0.00000   0.00000
  50        5PY         0.37640   0.35454   0.00000  -1.75607   1.14956
  51        5PZ         0.31072   0.63807   0.00000  -2.74077  -0.33486
  52        6D 0       -0.09659  -0.04134   0.00000  -0.14445  -0.09028
  53        6D+1        0.00000   0.00000  -0.00570   0.00000   0.00000
  54        6D-1        0.03418   0.02900   0.00000  -0.09380  -0.18773
  55        6D+2       -0.12874  -0.16677   0.00000   0.09490  -0.06168
  56        6D-2        0.00000   0.00000  -0.11289   0.00000   0.00000
  57 5   N  1S         -0.02682   0.04399   0.00000   0.05982   0.00000
  58        2S          0.08806  -0.19680   0.00000  -0.12076   0.00000
  59        3S         -0.04860  -0.11910   0.00000  -1.85359   0.00000
  60        4PX         0.00000   0.00000  -0.69813   0.00000   0.00000
  61        4PY         0.00000   0.00000   0.00000   0.00000  -0.49506
  62        4PZ         0.35050  -0.37075   0.00000  -0.02496   0.00000
  63        5PX         0.00000   0.00000   1.03015   0.00000   0.00000
  64        5PY         0.00000   0.00000   0.00000   0.00000   1.70068
  65        5PZ        -0.88898   1.24755   0.00000   1.51297   0.00000
  66        6D 0       -0.06232   0.05368   0.00000  -0.02628   0.00000
  67        6D+1        0.00000   0.00000   0.05768   0.00000   0.00000
  68        6D-1        0.00000   0.00000   0.00000   0.00000  -0.06272
  69        6D+2        0.08180  -0.05688   0.00000   0.01872   0.00000
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.02682   0.04399   0.00000  -0.05982   0.00000
  72        2S         -0.08806  -0.19680   0.00000   0.12076   0.00000
  73        3S          0.04860  -0.11910   0.00000   1.85359   0.00000
  74        4PX         0.00000   0.00000  -0.69813   0.00000   0.00000
  75        4PY         0.00000   0.00000   0.00000   0.00000  -0.49506
  76        4PZ         0.35050   0.37075   0.00000  -0.02496   0.00000
  77        5PX         0.00000   0.00000   1.03015   0.00000   0.00000
  78        5PY         0.00000   0.00000   0.00000   0.00000   1.70068
  79        5PZ        -0.88898  -1.24755   0.00000   1.51297   0.00000
  80        6D 0        0.06232   0.05368   0.00000   0.02628   0.00000
  81        6D+1        0.00000   0.00000  -0.05768   0.00000   0.00000
  82        6D-1        0.00000   0.00000   0.00000   0.00000   0.06272
  83        6D+2       -0.08180  -0.05688   0.00000  -0.01872   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S         -0.02025   0.03467   0.00000   0.43446  -0.26218
  86        2S         -0.48285   0.36112   0.00000   0.60206  -0.17887
  87        3PX         0.00000   0.00000   0.00349   0.00000   0.00000
  88        3PY         0.04149  -0.02066   0.00000   0.11115  -0.07560
  89        3PZ         0.02054  -0.01964   0.00000   0.07231   0.01225
  90 8   H  1S         -0.02025   0.03467   0.00000   0.43446   0.26218
  91        2S         -0.48285   0.36112   0.00000   0.60206   0.17887
  92        3PX         0.00000   0.00000   0.00349   0.00000   0.00000
  93        3PY        -0.04149   0.02066   0.00000  -0.11115  -0.07560
  94        3PZ         0.02054  -0.01964   0.00000   0.07231  -0.01225
  95 9   H  1S          0.02025   0.03467   0.00000  -0.43446  -0.26218
  96        2S          0.48285   0.36112   0.00000  -0.60206  -0.17887
  97        3PX         0.00000   0.00000   0.00349   0.00000   0.00000
  98        3PY        -0.04149  -0.02066   0.00000  -0.11115  -0.07560
  99        3PZ         0.02054   0.01964   0.00000   0.07231  -0.01225
 100 10  H  1S          0.02025   0.03467   0.00000  -0.43446   0.26218
 101        2S          0.48285   0.36112   0.00000  -0.60206   0.17887
 102        3PX         0.00000   0.00000   0.00349   0.00000   0.00000
 103        3PY         0.04149   0.02066   0.00000   0.11115  -0.07560
 104        3PZ         0.02054   0.01964   0.00000   0.07231   0.01225
                          56        57        58        59        60
                       (B2G)--V  (B3G)--V  (B1G)--V  (B1G)--V  (B1U)--V
     Eigenvalues --     1.16680   1.18292   1.19304   1.25759   1.27572
   1 1   C  1S          0.00000  -0.02939   0.00000   0.00000  -0.02045
   2        2S          0.00000  -0.81296   0.00000   0.00000  -0.58964
   3        3S          0.00000   3.49384   0.00000   0.00000   3.30399
   4        4PX         0.10538   0.00000   0.11193   0.11400   0.00000
   5        4PY         0.00000  -0.09872   0.00000   0.00000  -0.12472
   6        4PZ         0.00000   0.11837   0.00000   0.00000   0.09115
   7        5PX        -0.61145   0.00000  -0.05146  -0.18599   0.00000
   8        5PY         0.00000   1.09549   0.00000   0.00000   1.14416
   9        5PZ         0.00000  -1.08183   0.00000   0.00000  -1.18619
  10        6D 0        0.00000   0.13464   0.00000   0.00000   0.02847
  11        6D+1       -0.05171   0.00000   0.36735   0.02254   0.00000
  12        6D-1        0.00000  -0.04464   0.00000   0.00000  -0.07663
  13        6D+2        0.00000   0.08628   0.00000   0.00000  -0.02284
  14        6D-2        0.06191   0.00000  -0.09143   0.36523   0.00000
  15 2   C  1S          0.00000   0.02939   0.00000   0.00000  -0.02045
  16        2S          0.00000   0.81296   0.00000   0.00000  -0.58964
  17        3S          0.00000  -3.49384   0.00000   0.00000   3.30399
  18        4PX         0.10538   0.00000  -0.11193  -0.11400   0.00000
  19        4PY         0.00000  -0.09872   0.00000   0.00000   0.12472
  20        4PZ         0.00000  -0.11837   0.00000   0.00000   0.09115
  21        5PX        -0.61145   0.00000   0.05146   0.18599   0.00000
  22        5PY         0.00000   1.09549   0.00000   0.00000  -1.14416
  23        5PZ         0.00000   1.08183   0.00000   0.00000  -1.18619
  24        6D 0        0.00000  -0.13464   0.00000   0.00000   0.02847
  25        6D+1       -0.05171   0.00000  -0.36735  -0.02254   0.00000
  26        6D-1        0.00000  -0.04464   0.00000   0.00000   0.07663
  27        6D+2        0.00000  -0.08628   0.00000   0.00000  -0.02284
  28        6D-2       -0.06191   0.00000  -0.09143   0.36523   0.00000
  29 3   C  1S          0.00000   0.02939   0.00000   0.00000   0.02045
  30        2S          0.00000   0.81296   0.00000   0.00000   0.58964
  31        3S          0.00000  -3.49384   0.00000   0.00000  -3.30399
  32        4PX        -0.10538   0.00000   0.11193   0.11400   0.00000
  33        4PY         0.00000   0.09872   0.00000   0.00000   0.12472
  34        4PZ         0.00000   0.11837   0.00000   0.00000   0.09115
  35        5PX         0.61145   0.00000  -0.05146  -0.18599   0.00000
  36        5PY         0.00000  -1.09549   0.00000   0.00000  -1.14416
  37        5PZ         0.00000  -1.08183   0.00000   0.00000  -1.18619
  38        6D 0        0.00000  -0.13464   0.00000   0.00000  -0.02847
  39        6D+1       -0.05171   0.00000  -0.36735  -0.02254   0.00000
  40        6D-1        0.00000  -0.04464   0.00000   0.00000  -0.07663
  41        6D+2        0.00000  -0.08628   0.00000   0.00000   0.02284
  42        6D-2       -0.06191   0.00000  -0.09143   0.36523   0.00000
  43 4   C  1S          0.00000  -0.02939   0.00000   0.00000   0.02045
  44        2S          0.00000  -0.81296   0.00000   0.00000   0.58964
  45        3S          0.00000   3.49384   0.00000   0.00000  -3.30399
  46        4PX        -0.10538   0.00000  -0.11193  -0.11400   0.00000
  47        4PY         0.00000   0.09872   0.00000   0.00000  -0.12472
  48        4PZ         0.00000  -0.11837   0.00000   0.00000   0.09115
  49        5PX         0.61145   0.00000   0.05146   0.18599   0.00000
  50        5PY         0.00000  -1.09549   0.00000   0.00000   1.14416
  51        5PZ         0.00000   1.08183   0.00000   0.00000  -1.18619
  52        6D 0        0.00000   0.13464   0.00000   0.00000  -0.02847
  53        6D+1       -0.05171   0.00000   0.36735   0.02254   0.00000
  54        6D-1        0.00000  -0.04464   0.00000   0.00000   0.07663
  55        6D+2        0.00000   0.08628   0.00000   0.00000   0.02284
  56        6D-2        0.06191   0.00000  -0.09143   0.36523   0.00000
  57 5   N  1S          0.00000   0.00000   0.00000   0.00000   0.00356
  58        2S          0.00000   0.00000   0.00000   0.00000   0.00912
  59        3S          0.00000   0.00000   0.00000   0.00000   0.26848
  60        4PX        -0.70186   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000   0.02987   0.00000   0.00000   0.00000
  62        4PZ         0.00000   0.00000   0.00000   0.00000  -0.42817
  63        5PX         1.17732   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000  -0.26574   0.00000   0.00000   0.00000
  65        5PZ         0.00000   0.00000   0.00000   0.00000   0.80206
  66        6D 0        0.00000   0.00000   0.00000   0.00000  -0.00878
  67        6D+1        0.03002   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.04212   0.00000   0.00000   0.00000
  69        6D+2        0.00000   0.00000   0.00000   0.00000   0.00580
  70        6D-2        0.00000   0.00000   0.13183  -0.05866   0.00000
  71 6   N  1S          0.00000   0.00000   0.00000   0.00000  -0.00356
  72        2S          0.00000   0.00000   0.00000   0.00000  -0.00912
  73        3S          0.00000   0.00000   0.00000   0.00000  -0.26848
  74        4PX         0.70186   0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000  -0.02987   0.00000   0.00000   0.00000
  76        4PZ         0.00000   0.00000   0.00000   0.00000  -0.42817
  77        5PX        -1.17732   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000   0.26574   0.00000   0.00000   0.00000
  79        5PZ         0.00000   0.00000   0.00000   0.00000   0.80206
  80        6D 0        0.00000   0.00000   0.00000   0.00000   0.00878
  81        6D+1        0.03002   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.04212   0.00000   0.00000   0.00000
  83        6D+2        0.00000   0.00000   0.00000   0.00000  -0.00580
  84        6D-2        0.00000   0.00000   0.13183  -0.05866   0.00000
  85 7   H  1S          0.00000  -0.43458   0.00000   0.00000  -0.46686
  86        2S          0.00000  -0.53184   0.00000   0.00000  -0.50344
  87        3PX        -0.08328   0.00000   0.08470   0.19774   0.00000
  88        3PY         0.00000   0.05499   0.00000   0.00000   0.06734
  89        3PZ         0.00000   0.00757   0.00000   0.00000  -0.04123
  90 8   H  1S          0.00000   0.43458   0.00000   0.00000  -0.46686
  91        2S          0.00000   0.53184   0.00000   0.00000  -0.50344
  92        3PX        -0.08328   0.00000  -0.08470  -0.19774   0.00000
  93        3PY         0.00000   0.05499   0.00000   0.00000  -0.06734
  94        3PZ         0.00000  -0.00757   0.00000   0.00000  -0.04123
  95 9   H  1S          0.00000   0.43458   0.00000   0.00000   0.46686
  96        2S          0.00000   0.53184   0.00000   0.00000   0.50344
  97        3PX         0.08328   0.00000   0.08470   0.19774   0.00000
  98        3PY         0.00000  -0.05499   0.00000   0.00000  -0.06734
  99        3PZ         0.00000   0.00757   0.00000   0.00000  -0.04123
 100 10  H  1S          0.00000  -0.43458   0.00000   0.00000   0.46686
 101        2S          0.00000  -0.53184   0.00000   0.00000   0.50344
 102        3PX         0.08328   0.00000  -0.08470  -0.19774   0.00000
 103        3PY         0.00000  -0.05499   0.00000   0.00000   0.06734
 104        3PZ         0.00000  -0.00757   0.00000   0.00000  -0.04123
                          61        62        63        64        65
                       (B3G)--V  (B2U)--V   (AU)--V  (B2G)--V  (B3U)--V
     Eigenvalues --     1.31985   1.37971   1.39634   1.41295   1.42795
   1 1   C  1S          0.00997  -0.00748   0.00000   0.00000   0.00000
   2        2S          0.36860  -0.41602   0.00000   0.00000   0.00000
   3        3S         -3.53716  -1.62623   0.00000   0.00000   0.00000
   4        4PX         0.00000   0.00000   0.08566  -0.01308   0.09843
   5        4PY        -0.13566   0.29660   0.00000   0.00000   0.00000
   6        4PZ        -0.01820  -0.01729   0.00000   0.00000   0.00000
   7        5PX         0.00000   0.00000  -0.26909   0.53532   0.08656
   8        5PY         3.93667  -0.37677   0.00000   0.00000   0.00000
   9        5PZ        -0.92269  -1.43794   0.00000   0.00000   0.00000
  10        6D 0       -0.06397  -0.02150   0.00000   0.00000   0.00000
  11        6D+1        0.00000   0.00000  -0.07558  -0.13458   0.34215
  12        6D-1        0.15334   0.18643   0.00000   0.00000   0.00000
  13        6D+2        0.18746   0.15615   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.32895  -0.36194  -0.30000
  15 2   C  1S         -0.00997   0.00748   0.00000   0.00000   0.00000
  16        2S         -0.36860   0.41602   0.00000   0.00000   0.00000
  17        3S          3.53716   1.62623   0.00000   0.00000   0.00000
  18        4PX         0.00000   0.00000  -0.08566  -0.01308   0.09843
  19        4PY        -0.13566   0.29660   0.00000   0.00000   0.00000
  20        4PZ         0.01820   0.01729   0.00000   0.00000   0.00000
  21        5PX         0.00000   0.00000   0.26909   0.53532   0.08656
  22        5PY         3.93667  -0.37677   0.00000   0.00000   0.00000
  23        5PZ         0.92269   1.43794   0.00000   0.00000   0.00000
  24        6D 0        0.06397   0.02150   0.00000   0.00000   0.00000
  25        6D+1        0.00000   0.00000   0.07558  -0.13458   0.34215
  26        6D-1        0.15334   0.18643   0.00000   0.00000   0.00000
  27        6D+2       -0.18746  -0.15615   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.32895   0.36194   0.30000
  29 3   C  1S         -0.00997  -0.00748   0.00000   0.00000   0.00000
  30        2S         -0.36860  -0.41602   0.00000   0.00000   0.00000
  31        3S          3.53716  -1.62623   0.00000   0.00000   0.00000
  32        4PX         0.00000   0.00000  -0.08566   0.01308   0.09843
  33        4PY         0.13566   0.29660   0.00000   0.00000   0.00000
  34        4PZ        -0.01820   0.01729   0.00000   0.00000   0.00000
  35        5PX         0.00000   0.00000   0.26909  -0.53532   0.08656
  36        5PY        -3.93667  -0.37677   0.00000   0.00000   0.00000
  37        5PZ        -0.92269   1.43794   0.00000   0.00000   0.00000
  38        6D 0        0.06397  -0.02150   0.00000   0.00000   0.00000
  39        6D+1        0.00000   0.00000  -0.07558  -0.13458  -0.34215
  40        6D-1        0.15334  -0.18643   0.00000   0.00000   0.00000
  41        6D+2       -0.18746   0.15615   0.00000   0.00000   0.00000
  42        6D-2        0.00000   0.00000  -0.32895   0.36194  -0.30000
  43 4   C  1S          0.00997   0.00748   0.00000   0.00000   0.00000
  44        2S          0.36860   0.41602   0.00000   0.00000   0.00000
  45        3S         -3.53716   1.62623   0.00000   0.00000   0.00000
  46        4PX         0.00000   0.00000   0.08566   0.01308   0.09843
  47        4PY         0.13566   0.29660   0.00000   0.00000   0.00000
  48        4PZ         0.01820  -0.01729   0.00000   0.00000   0.00000
  49        5PX         0.00000   0.00000  -0.26909  -0.53532   0.08656
  50        5PY        -3.93667  -0.37677   0.00000   0.00000   0.00000
  51        5PZ         0.92269  -1.43794   0.00000   0.00000   0.00000
  52        6D 0       -0.06397   0.02150   0.00000   0.00000   0.00000
  53        6D+1        0.00000   0.00000   0.07558  -0.13458  -0.34215
  54        6D-1        0.15334  -0.18643   0.00000   0.00000   0.00000
  55        6D+2        0.18746  -0.15615   0.00000   0.00000   0.00000
  56        6D-2        0.00000   0.00000  -0.32895  -0.36194   0.30000
  57 5   N  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  58        2S          0.00000   0.00000   0.00000   0.00000   0.00000
  59        3S          0.00000   0.00000   0.00000   0.00000   0.00000
  60        4PX         0.00000   0.00000   0.00000  -0.02234  -0.16595
  61        4PY        -0.53245  -0.11826   0.00000   0.00000   0.00000
  62        4PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  63        5PX         0.00000   0.00000   0.00000  -0.52539  -0.32949
  64        5PY         3.49708   2.13285   0.00000   0.00000   0.00000
  65        5PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  66        6D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  67        6D+1        0.00000   0.00000   0.00000  -0.20366  -0.13594
  68        6D-1       -0.08730   0.07601   0.00000   0.00000   0.00000
  69        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  70        6D-2        0.00000   0.00000  -0.14715   0.00000   0.00000
  71 6   N  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  72        2S          0.00000   0.00000   0.00000   0.00000   0.00000
  73        3S          0.00000   0.00000   0.00000   0.00000   0.00000
  74        4PX         0.00000   0.00000   0.00000   0.02234  -0.16595
  75        4PY         0.53245  -0.11826   0.00000   0.00000   0.00000
  76        4PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  77        5PX         0.00000   0.00000   0.00000   0.52539  -0.32949
  78        5PY        -3.49708   2.13285   0.00000   0.00000   0.00000
  79        5PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  80        6D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  81        6D+1        0.00000   0.00000   0.00000  -0.20366   0.13594
  82        6D-1       -0.08730  -0.07601   0.00000   0.00000   0.00000
  83        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  84        6D-2        0.00000   0.00000   0.14715   0.00000   0.00000
  85 7   H  1S         -0.34767   0.46610   0.00000   0.00000   0.00000
  86        2S         -0.57442   0.48530   0.00000   0.00000   0.00000
  87        3PX         0.00000   0.00000   0.26809  -0.20752   0.07647
  88        3PY        -0.06284   0.02030   0.00000   0.00000   0.00000
  89        3PZ        -0.00713  -0.00547   0.00000   0.00000   0.00000
  90 8   H  1S          0.34767  -0.46610   0.00000   0.00000   0.00000
  91        2S          0.57442  -0.48530   0.00000   0.00000   0.00000
  92        3PX         0.00000   0.00000  -0.26809  -0.20752   0.07647
  93        3PY        -0.06284   0.02030   0.00000   0.00000   0.00000
  94        3PZ         0.00713   0.00547   0.00000   0.00000   0.00000
  95 9   H  1S          0.34767   0.46610   0.00000   0.00000   0.00000
  96        2S          0.57442   0.48530   0.00000   0.00000   0.00000
  97        3PX         0.00000   0.00000  -0.26809   0.20752   0.07647
  98        3PY         0.06284   0.02030   0.00000   0.00000   0.00000
  99        3PZ        -0.00713   0.00547   0.00000   0.00000   0.00000
 100 10  H  1S         -0.34767  -0.46610   0.00000   0.00000   0.00000
 101        2S         -0.57442  -0.48530   0.00000   0.00000   0.00000
 102        3PX         0.00000   0.00000   0.26809   0.20752   0.07647
 103        3PY         0.06284   0.02030   0.00000   0.00000   0.00000
 104        3PZ         0.00713  -0.00547   0.00000   0.00000   0.00000
                          66        67        68        69        70
                        (AG)--V  (B3G)--V   (AG)--V  (B2U)--V   (AG)--V
     Eigenvalues --     1.52194   1.58356   1.62682   1.74271   1.80678
   1 1   C  1S         -0.02646  -0.05097   0.01312  -0.00851   0.01419
   2        2S         -0.23395  -0.59286   0.18600   0.08530  -0.12382
   3        3S          0.37237   3.09216  -1.16040   0.21261  -0.47145
   4        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
   5        4PY         0.14538   0.19655   0.13342   0.03282   0.12881
   6        4PZ        -0.04070  -0.14335  -0.17474  -0.11831  -0.01600
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        5PY         0.48440  -2.27873   0.56107  -0.36933   0.31907
   9        5PZ         0.42031  -2.75502  -0.15574   0.37878  -0.52914
  10        6D 0        0.07588   0.05698  -0.05960  -0.25278   0.04116
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.22303   0.22328   0.20349  -0.03065   0.24443
  13        6D+2       -0.32349   0.09086   0.26967  -0.21886   0.19166
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S         -0.02646   0.05097   0.01312   0.00851   0.01419
  16        2S         -0.23395   0.59286   0.18600  -0.08530  -0.12382
  17        3S          0.37237  -3.09216  -1.16040  -0.21261  -0.47145
  18        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  19        4PY        -0.14538   0.19655  -0.13342   0.03282  -0.12881
  20        4PZ        -0.04070   0.14335  -0.17474   0.11831  -0.01600
  21        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  22        5PY        -0.48440  -2.27873  -0.56107  -0.36933  -0.31907
  23        5PZ         0.42031   2.75502  -0.15574  -0.37878  -0.52914
  24        6D 0        0.07588  -0.05698  -0.05960   0.25278   0.04116
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  26        6D-1       -0.22303   0.22328  -0.20349  -0.03065  -0.24443
  27        6D+2       -0.32349  -0.09086   0.26967   0.21886   0.19166
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  29 3   C  1S         -0.02646   0.05097   0.01312  -0.00851   0.01419
  30        2S         -0.23395   0.59286   0.18600   0.08530  -0.12382
  31        3S          0.37237  -3.09216  -1.16040   0.21261  -0.47145
  32        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  33        4PY         0.14538  -0.19655   0.13342   0.03282   0.12881
  34        4PZ         0.04070  -0.14335   0.17474   0.11831   0.01600
  35        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  36        5PY         0.48440   2.27873   0.56107  -0.36933   0.31907
  37        5PZ        -0.42031  -2.75502   0.15574  -0.37878   0.52914
  38        6D 0        0.07588  -0.05698  -0.05960  -0.25278   0.04116
  39        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  40        6D-1       -0.22303   0.22328  -0.20349   0.03065  -0.24443
  41        6D+2       -0.32349  -0.09086   0.26967  -0.21886   0.19166
  42        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S         -0.02646  -0.05097   0.01312   0.00851   0.01419
  44        2S         -0.23395  -0.59286   0.18600  -0.08530  -0.12382
  45        3S          0.37237   3.09216  -1.16040  -0.21261  -0.47145
  46        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  47        4PY        -0.14538  -0.19655  -0.13342   0.03282  -0.12881
  48        4PZ         0.04070   0.14335   0.17474  -0.11831   0.01600
  49        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  50        5PY        -0.48440   2.27873  -0.56107  -0.36933  -0.31907
  51        5PZ        -0.42031   2.75502   0.15574   0.37878   0.52914
  52        6D 0        0.07588   0.05698  -0.05960   0.25278   0.04116
  53        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  54        6D-1        0.22303   0.22328   0.20349   0.03065   0.24443
  55        6D+2       -0.32349   0.09086   0.26967   0.21886   0.19166
  56        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  57 5   N  1S         -0.01651   0.00000  -0.04112   0.00000  -0.03692
  58        2S         -0.38317   0.00000  -0.98064   0.00000   0.26264
  59        3S          0.78473   0.00000   3.17477   0.00000   1.10107
  60        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000  -0.25729   0.00000  -0.28501   0.00000
  62        4PZ         0.20857   0.00000  -0.16574   0.00000  -0.33148
  63        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000   1.23648   0.00000   0.12652   0.00000
  65        5PZ        -0.72784   0.00000  -0.78138   0.00000   0.06496
  66        6D 0        0.07576   0.00000  -0.09222   0.00000   0.10959
  67        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.08857   0.00000  -0.01333   0.00000
  69        6D+2       -0.00895   0.00000   0.15534   0.00000   0.00163
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S         -0.01651   0.00000  -0.04112   0.00000  -0.03692
  72        2S         -0.38317   0.00000  -0.98064   0.00000   0.26264
  73        3S          0.78473   0.00000   3.17477   0.00000   1.10107
  74        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000   0.25729   0.00000  -0.28501   0.00000
  76        4PZ        -0.20857   0.00000   0.16574   0.00000   0.33148
  77        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000  -1.23648   0.00000   0.12652   0.00000
  79        5PZ         0.72784   0.00000   0.78138   0.00000  -0.06496
  80        6D 0        0.07576   0.00000  -0.09222   0.00000   0.10959
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.08857   0.00000   0.01333   0.00000
  83        6D+2       -0.00895   0.00000   0.15534   0.00000   0.00163
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S         -0.60519   0.54028   0.04181  -0.09718  -0.02017
  86        2S         -0.19565   1.03355  -0.02109   0.12127   0.04021
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  88        3PY        -0.07810   0.13248   0.03000   0.13912  -0.25670
  89        3PZ        -0.03796   0.07352  -0.12935  -0.33518   0.31833
  90 8   H  1S         -0.60519  -0.54028   0.04181   0.09718  -0.02017
  91        2S         -0.19565  -1.03355  -0.02109  -0.12127   0.04021
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY         0.07810   0.13248  -0.03000   0.13912   0.25670
  94        3PZ        -0.03796  -0.07352  -0.12935   0.33518   0.31833
  95 9   H  1S         -0.60519  -0.54028   0.04181  -0.09718  -0.02017
  96        2S         -0.19565  -1.03355  -0.02109   0.12127   0.04021
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  98        3PY        -0.07810  -0.13248   0.03000   0.13912  -0.25670
  99        3PZ         0.03796   0.07352   0.12935   0.33518  -0.31833
 100 10  H  1S         -0.60519   0.54028   0.04181   0.09718  -0.02017
 101        2S         -0.19565   1.03355  -0.02109  -0.12127   0.04021
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.07810  -0.13248  -0.03000   0.13912   0.25670
 104        3PZ         0.03796  -0.07352   0.12935  -0.33518  -0.31833
                          71        72        73        74        75
                        (AU)--V  (B1U)--V  (B3G)--V   (AG)--V  (B3U)--V
     Eigenvalues --     1.82223   1.82529   1.84134   1.88793   1.90607
   1 1   C  1S          0.00000  -0.00673  -0.00836  -0.01387   0.00000
   2        2S          0.00000  -0.18270   0.20034  -0.40728   0.00000
   3        3S          0.00000   1.08134   0.48582  -0.33937   0.00000
   4        4PX        -0.16035   0.00000   0.00000   0.00000  -0.14418
   5        4PY         0.00000   0.10384   0.06298   0.07851   0.00000
   6        4PZ         0.00000  -0.02006  -0.32967   0.15513   0.00000
   7        5PX        -0.46686   0.00000   0.00000   0.00000  -0.16632
   8        5PY         0.00000   1.11472   1.35092   0.09515   0.00000
   9        5PZ         0.00000  -1.40862  -1.15687  -0.54153   0.00000
  10        6D 0        0.00000  -0.01621   0.18948   0.39542   0.00000
  11        6D+1        0.48182   0.00000   0.00000   0.00000  -0.24814
  12        6D-1        0.00000   0.27675   0.07171  -0.10106   0.00000
  13        6D+2        0.00000   0.14255   0.16162  -0.03037   0.00000
  14        6D-2       -0.07227   0.00000   0.00000   0.00000  -0.17601
  15 2   C  1S          0.00000  -0.00673   0.00836  -0.01387   0.00000
  16        2S          0.00000  -0.18270  -0.20034  -0.40728   0.00000
  17        3S          0.00000   1.08134  -0.48582  -0.33937   0.00000
  18        4PX         0.16035   0.00000   0.00000   0.00000  -0.14418
  19        4PY         0.00000  -0.10384   0.06298  -0.07851   0.00000
  20        4PZ         0.00000  -0.02006   0.32967   0.15513   0.00000
  21        5PX         0.46686   0.00000   0.00000   0.00000  -0.16632
  22        5PY         0.00000  -1.11472   1.35092  -0.09515   0.00000
  23        5PZ         0.00000  -1.40862   1.15687  -0.54153   0.00000
  24        6D 0        0.00000  -0.01621  -0.18948   0.39542   0.00000
  25        6D+1       -0.48182   0.00000   0.00000   0.00000  -0.24814
  26        6D-1        0.00000  -0.27675   0.07171   0.10106   0.00000
  27        6D+2        0.00000   0.14255  -0.16162  -0.03037   0.00000
  28        6D-2       -0.07227   0.00000   0.00000   0.00000   0.17601
  29 3   C  1S          0.00000   0.00673   0.00836  -0.01387   0.00000
  30        2S          0.00000   0.18270  -0.20034  -0.40728   0.00000
  31        3S          0.00000  -1.08134  -0.48582  -0.33937   0.00000
  32        4PX         0.16035   0.00000   0.00000   0.00000  -0.14418
  33        4PY         0.00000  -0.10384  -0.06298   0.07851   0.00000
  34        4PZ         0.00000  -0.02006  -0.32967  -0.15513   0.00000
  35        5PX         0.46686   0.00000   0.00000   0.00000  -0.16632
  36        5PY         0.00000  -1.11472  -1.35092   0.09515   0.00000
  37        5PZ         0.00000  -1.40862  -1.15687   0.54153   0.00000
  38        6D 0        0.00000   0.01621  -0.18948   0.39542   0.00000
  39        6D+1        0.48182   0.00000   0.00000   0.00000   0.24814
  40        6D-1        0.00000   0.27675   0.07171   0.10106   0.00000
  41        6D+2        0.00000  -0.14255  -0.16162  -0.03037   0.00000
  42        6D-2        0.07227   0.00000   0.00000   0.00000  -0.17601
  43 4   C  1S          0.00000   0.00673  -0.00836  -0.01387   0.00000
  44        2S          0.00000   0.18270   0.20034  -0.40728   0.00000
  45        3S          0.00000  -1.08134   0.48582  -0.33937   0.00000
  46        4PX        -0.16035   0.00000   0.00000   0.00000  -0.14418
  47        4PY         0.00000   0.10384  -0.06298  -0.07851   0.00000
  48        4PZ         0.00000  -0.02006   0.32967  -0.15513   0.00000
  49        5PX        -0.46686   0.00000   0.00000   0.00000  -0.16632
  50        5PY         0.00000   1.11472  -1.35092  -0.09515   0.00000
  51        5PZ         0.00000  -1.40862   1.15687   0.54153   0.00000
  52        6D 0        0.00000   0.01621   0.18948   0.39542   0.00000
  53        6D+1       -0.48182   0.00000   0.00000   0.00000   0.24814
  54        6D-1        0.00000  -0.27675   0.07171  -0.10106   0.00000
  55        6D+2        0.00000  -0.14255   0.16162  -0.03037   0.00000
  56        6D-2        0.07227   0.00000   0.00000   0.00000   0.17601
  57 5   N  1S          0.00000  -0.03994   0.00000  -0.01781   0.00000
  58        2S          0.00000  -0.24503   0.00000  -0.65506   0.00000
  59        3S          0.00000   2.43099   0.00000   1.40976   0.00000
  60        4PX         0.00000   0.00000   0.00000   0.00000  -0.06200
  61        4PY         0.00000   0.00000   0.25662   0.00000   0.00000
  62        4PZ         0.00000  -0.23206   0.00000  -0.12541   0.00000
  63        5PX         0.00000   0.00000   0.00000   0.00000   0.24494
  64        5PY         0.00000   0.00000   0.62050   0.00000   0.00000
  65        5PZ         0.00000  -0.02441   0.00000  -0.11082   0.00000
  66        6D 0        0.00000   0.17371   0.00000  -0.23423   0.00000
  67        6D+1        0.00000   0.00000   0.00000   0.00000  -0.12013
  68        6D-1        0.00000   0.00000   0.02529   0.00000   0.00000
  69        6D+2        0.00000   0.06255   0.00000  -0.02244   0.00000
  70        6D-2        0.25234   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000   0.03994   0.00000  -0.01781   0.00000
  72        2S          0.00000   0.24503   0.00000  -0.65506   0.00000
  73        3S          0.00000  -2.43099   0.00000   1.40976   0.00000
  74        4PX         0.00000   0.00000   0.00000   0.00000  -0.06200
  75        4PY         0.00000   0.00000  -0.25662   0.00000   0.00000
  76        4PZ         0.00000  -0.23206   0.00000   0.12541   0.00000
  77        5PX         0.00000   0.00000   0.00000   0.00000   0.24494
  78        5PY         0.00000   0.00000  -0.62050   0.00000   0.00000
  79        5PZ         0.00000  -0.02441   0.00000   0.11082   0.00000
  80        6D 0        0.00000  -0.17371   0.00000  -0.23423   0.00000
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.12013
  82        6D-1        0.00000   0.00000   0.02529   0.00000   0.00000
  83        6D+2        0.00000  -0.06255   0.00000  -0.02244   0.00000
  84        6D-2       -0.25234   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.00000  -0.26448  -0.14145   0.19105   0.00000
  86        2S          0.00000   0.00424  -0.15244  -0.01347   0.00000
  87        3PX         0.27567   0.00000   0.00000   0.00000   0.55426
  88        3PY         0.00000  -0.23099  -0.20108   0.01678   0.00000
  89        3PZ         0.00000   0.36102   0.42342   0.10931   0.00000
  90 8   H  1S          0.00000  -0.26448   0.14145   0.19105   0.00000
  91        2S          0.00000   0.00424   0.15244  -0.01347   0.00000
  92        3PX        -0.27567   0.00000   0.00000   0.00000   0.55426
  93        3PY         0.00000   0.23099  -0.20108  -0.01678   0.00000
  94        3PZ         0.00000   0.36102  -0.42342   0.10931   0.00000
  95 9   H  1S          0.00000   0.26448   0.14145   0.19105   0.00000
  96        2S          0.00000  -0.00424   0.15244  -0.01347   0.00000
  97        3PX        -0.27567   0.00000   0.00000   0.00000   0.55426
  98        3PY         0.00000   0.23099   0.20108   0.01678   0.00000
  99        3PZ         0.00000   0.36102   0.42342  -0.10931   0.00000
 100 10  H  1S          0.00000   0.26448  -0.14145   0.19105   0.00000
 101        2S          0.00000  -0.00424  -0.15244  -0.01347   0.00000
 102        3PX         0.27567   0.00000   0.00000   0.00000   0.55426
 103        3PY         0.00000  -0.23099   0.20108  -0.01678   0.00000
 104        3PZ         0.00000   0.36102  -0.42342  -0.10931   0.00000
                          76        77        78        79        80
                       (B1U)--V  (B2U)--V  (B2G)--V  (B1G)--V  (B1U)--V
     Eigenvalues --     1.91577   1.91778   1.96183   1.97165   2.02626
   1 1   C  1S          0.03471  -0.01936   0.00000   0.00000   0.02719
   2        2S          0.41795  -0.41856   0.00000   0.00000  -0.02968
   3        3S         -2.94804   0.79153   0.00000   0.00000  -4.05778
   4        4PX         0.00000   0.00000  -0.14104  -0.11845   0.00000
   5        4PY         0.12800   0.05630   0.00000   0.00000   0.00268
   6        4PZ        -0.13919   0.02399   0.00000   0.00000   0.20422
   7        5PX         0.00000   0.00000  -0.42979  -0.06845   0.00000
   8        5PY         1.21555  -0.25398   0.00000   0.00000   1.96350
   9        5PZ         0.52366   0.07074   0.00000   0.00000   1.68622
  10        6D 0        0.00793   0.03456   0.00000   0.00000  -0.16530
  11        6D+1        0.00000   0.00000   0.22955  -0.17480   0.00000
  12        6D-1       -0.06520   0.26820   0.00000   0.00000   0.24232
  13        6D+2        0.37711  -0.30590   0.00000   0.00000   0.00208
  14        6D-2        0.00000   0.00000  -0.26519  -0.35590   0.00000
  15 2   C  1S          0.03471   0.01936   0.00000   0.00000   0.02719
  16        2S          0.41795   0.41856   0.00000   0.00000  -0.02968
  17        3S         -2.94804  -0.79153   0.00000   0.00000  -4.05778
  18        4PX         0.00000   0.00000  -0.14104   0.11845   0.00000
  19        4PY        -0.12800   0.05630   0.00000   0.00000  -0.00268
  20        4PZ        -0.13919  -0.02399   0.00000   0.00000   0.20422
  21        5PX         0.00000   0.00000  -0.42979   0.06845   0.00000
  22        5PY        -1.21555  -0.25398   0.00000   0.00000  -1.96350
  23        5PZ         0.52366  -0.07074   0.00000   0.00000   1.68622
  24        6D 0        0.00793  -0.03456   0.00000   0.00000  -0.16530
  25        6D+1        0.00000   0.00000   0.22955   0.17480   0.00000
  26        6D-1        0.06520   0.26820   0.00000   0.00000  -0.24232
  27        6D+2        0.37711   0.30590   0.00000   0.00000   0.00208
  28        6D-2        0.00000   0.00000   0.26519  -0.35590   0.00000
  29 3   C  1S         -0.03471  -0.01936   0.00000   0.00000  -0.02719
  30        2S         -0.41795  -0.41856   0.00000   0.00000   0.02968
  31        3S          2.94804   0.79153   0.00000   0.00000   4.05778
  32        4PX         0.00000   0.00000   0.14104  -0.11845   0.00000
  33        4PY        -0.12800   0.05630   0.00000   0.00000  -0.00268
  34        4PZ        -0.13919  -0.02399   0.00000   0.00000   0.20422
  35        5PX         0.00000   0.00000   0.42979  -0.06845   0.00000
  36        5PY        -1.21555  -0.25398   0.00000   0.00000  -1.96350
  37        5PZ         0.52366  -0.07074   0.00000   0.00000   1.68622
  38        6D 0       -0.00793   0.03456   0.00000   0.00000   0.16530
  39        6D+1        0.00000   0.00000   0.22955   0.17480   0.00000
  40        6D-1       -0.06520  -0.26820   0.00000   0.00000   0.24232
  41        6D+2       -0.37711  -0.30590   0.00000   0.00000  -0.00208
  42        6D-2        0.00000   0.00000   0.26519  -0.35590   0.00000
  43 4   C  1S         -0.03471   0.01936   0.00000   0.00000  -0.02719
  44        2S         -0.41795   0.41856   0.00000   0.00000   0.02968
  45        3S          2.94804  -0.79153   0.00000   0.00000   4.05778
  46        4PX         0.00000   0.00000   0.14104   0.11845   0.00000
  47        4PY         0.12800   0.05630   0.00000   0.00000   0.00268
  48        4PZ        -0.13919   0.02399   0.00000   0.00000   0.20422
  49        5PX         0.00000   0.00000   0.42979   0.06845   0.00000
  50        5PY         1.21555  -0.25398   0.00000   0.00000   1.96350
  51        5PZ         0.52366   0.07074   0.00000   0.00000   1.68622
  52        6D 0       -0.00793  -0.03456   0.00000   0.00000   0.16530
  53        6D+1        0.00000   0.00000   0.22955  -0.17480   0.00000
  54        6D-1        0.06520  -0.26820   0.00000   0.00000  -0.24232
  55        6D+2       -0.37711   0.30590   0.00000   0.00000  -0.00208
  56        6D-2        0.00000   0.00000  -0.26519  -0.35590   0.00000
  57 5   N  1S         -0.04689   0.00000   0.00000   0.00000  -0.04963
  58        2S         -0.79987   0.00000   0.00000   0.00000  -1.15514
  59        3S          3.57192   0.00000   0.00000   0.00000   4.27783
  60        4PX         0.00000   0.00000  -0.25919   0.00000   0.00000
  61        4PY         0.00000   0.30872   0.00000   0.00000   0.00000
  62        4PZ        -0.28157   0.00000   0.00000   0.00000   0.19476
  63        5PX         0.00000   0.00000   0.32744   0.00000   0.00000
  64        5PY         0.00000  -0.61439   0.00000   0.00000   0.00000
  65        5PZ        -0.78294   0.00000   0.00000   0.00000  -1.72321
  66        6D 0       -0.29118   0.00000   0.00000   0.00000   0.07001
  67        6D+1        0.00000   0.00000  -0.27133   0.00000   0.00000
  68        6D-1        0.00000   0.05666   0.00000   0.00000   0.00000
  69        6D+2        0.11080   0.00000   0.00000   0.00000   0.16694
  70        6D-2        0.00000   0.00000   0.00000  -0.07562   0.00000
  71 6   N  1S          0.04689   0.00000   0.00000   0.00000   0.04963
  72        2S          0.79987   0.00000   0.00000   0.00000   1.15514
  73        3S         -3.57192   0.00000   0.00000   0.00000  -4.27783
  74        4PX         0.00000   0.00000   0.25919   0.00000   0.00000
  75        4PY         0.00000   0.30872   0.00000   0.00000   0.00000
  76        4PZ        -0.28157   0.00000   0.00000   0.00000   0.19476
  77        5PX         0.00000   0.00000  -0.32744   0.00000   0.00000
  78        5PY         0.00000  -0.61439   0.00000   0.00000   0.00000
  79        5PZ        -0.78294   0.00000   0.00000   0.00000  -1.72321
  80        6D 0        0.29118   0.00000   0.00000   0.00000  -0.07001
  81        6D+1        0.00000   0.00000  -0.27133   0.00000   0.00000
  82        6D-1        0.00000  -0.05666   0.00000   0.00000   0.00000
  83        6D+2       -0.11080   0.00000   0.00000   0.00000  -0.16694
  84        6D-2        0.00000   0.00000   0.00000  -0.07562   0.00000
  85 7   H  1S          0.24509  -0.31256   0.00000   0.00000  -0.29355
  86        2S         -0.28105   0.14365   0.00000   0.00000  -0.51124
  87        3PX         0.00000   0.00000   0.43371   0.54886   0.00000
  88        3PY         0.09333  -0.25115   0.00000   0.00000  -0.01697
  89        3PZ         0.03871  -0.04220   0.00000   0.00000  -0.28976
  90 8   H  1S          0.24509   0.31256   0.00000   0.00000  -0.29355
  91        2S         -0.28105  -0.14365   0.00000   0.00000  -0.51124
  92        3PX         0.00000   0.00000   0.43371  -0.54886   0.00000
  93        3PY        -0.09333  -0.25115   0.00000   0.00000   0.01697
  94        3PZ         0.03871   0.04220   0.00000   0.00000  -0.28976
  95 9   H  1S         -0.24509  -0.31256   0.00000   0.00000   0.29355
  96        2S          0.28105   0.14365   0.00000   0.00000   0.51124
  97        3PX         0.00000   0.00000  -0.43371   0.54886   0.00000
  98        3PY        -0.09333  -0.25115   0.00000   0.00000   0.01697
  99        3PZ         0.03871   0.04220   0.00000   0.00000  -0.28976
 100 10  H  1S         -0.24509   0.31256   0.00000   0.00000   0.29355
 101        2S          0.28105  -0.14365   0.00000   0.00000   0.51124
 102        3PX         0.00000   0.00000  -0.43371  -0.54886   0.00000
 103        3PY         0.09333  -0.25115   0.00000   0.00000  -0.01697
 104        3PZ         0.03871  -0.04220   0.00000   0.00000  -0.28976
                          81        82        83        84        85
                       (B2G)--V  (B2U)--V  (B1U)--V   (AG)--V  (B3G)--V
     Eigenvalues --     2.10921   2.12410   2.20956   2.23138   2.26127
   1 1   C  1S          0.00000   0.05795  -0.05030  -0.00446  -0.07259
   2        2S          0.00000   0.52854  -0.09760   0.31482  -0.50546
   3        3S          0.00000  -0.37199   2.52090  -0.31349   3.80673
   4        4PX        -0.08374   0.00000   0.00000   0.00000   0.00000
   5        4PY         0.00000   0.00297   0.04701  -0.09164  -0.21987
   6        4PZ         0.00000  -0.23833  -0.60537   0.03982  -0.42414
   7        5PX         0.14501   0.00000   0.00000   0.00000   0.00000
   8        5PY         0.00000   0.83160   0.12629   0.16577  -1.19164
   9        5PZ         0.00000   0.61731  -1.59431  -0.08795  -1.67066
  10        6D 0        0.00000  -0.12741   0.71760  -0.22965   0.46630
  11        6D+1        0.72101   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.31150   0.05277  -0.29785   0.14500
  13        6D+2        0.00000   0.44089  -0.23190  -0.18667  -0.38562
  14        6D-2       -0.04439   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S          0.00000  -0.05795  -0.05030  -0.00446   0.07259
  16        2S          0.00000  -0.52854  -0.09760   0.31482   0.50546
  17        3S          0.00000   0.37199   2.52090  -0.31349  -3.80673
  18        4PX        -0.08374   0.00000   0.00000   0.00000   0.00000
  19        4PY         0.00000   0.00297  -0.04701   0.09164  -0.21987
  20        4PZ         0.00000   0.23833  -0.60537   0.03982   0.42414
  21        5PX         0.14501   0.00000   0.00000   0.00000   0.00000
  22        5PY         0.00000   0.83160  -0.12629  -0.16577  -1.19164
  23        5PZ         0.00000  -0.61731  -1.59431  -0.08795   1.67066
  24        6D 0        0.00000   0.12741   0.71760  -0.22965  -0.46630
  25        6D+1        0.72101   0.00000   0.00000   0.00000   0.00000
  26        6D-1        0.00000   0.31150  -0.05277   0.29785   0.14500
  27        6D+2        0.00000  -0.44089  -0.23190  -0.18667   0.38562
  28        6D-2        0.04439   0.00000   0.00000   0.00000   0.00000
  29 3   C  1S          0.00000   0.05795   0.05030  -0.00446   0.07259
  30        2S          0.00000   0.52854   0.09760   0.31482   0.50546
  31        3S          0.00000  -0.37199  -2.52090  -0.31349  -3.80673
  32        4PX         0.08374   0.00000   0.00000   0.00000   0.00000
  33        4PY         0.00000   0.00297  -0.04701  -0.09164   0.21987
  34        4PZ         0.00000   0.23833  -0.60537  -0.03982  -0.42414
  35        5PX        -0.14501   0.00000   0.00000   0.00000   0.00000
  36        5PY         0.00000   0.83160  -0.12629   0.16577   1.19164
  37        5PZ         0.00000  -0.61731  -1.59431   0.08795  -1.67066
  38        6D 0        0.00000  -0.12741  -0.71760  -0.22965  -0.46630
  39        6D+1        0.72101   0.00000   0.00000   0.00000   0.00000
  40        6D-1        0.00000  -0.31150   0.05277   0.29785   0.14500
  41        6D+2        0.00000   0.44089   0.23190  -0.18667   0.38562
  42        6D-2        0.04439   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S          0.00000  -0.05795   0.05030  -0.00446  -0.07259
  44        2S          0.00000  -0.52854   0.09760   0.31482  -0.50546
  45        3S          0.00000   0.37199  -2.52090  -0.31349   3.80673
  46        4PX         0.08374   0.00000   0.00000   0.00000   0.00000
  47        4PY         0.00000   0.00297   0.04701   0.09164   0.21987
  48        4PZ         0.00000  -0.23833  -0.60537  -0.03982   0.42414
  49        5PX        -0.14501   0.00000   0.00000   0.00000   0.00000
  50        5PY         0.00000   0.83160   0.12629  -0.16577   1.19164
  51        5PZ         0.00000   0.61731  -1.59431   0.08795   1.67066
  52        6D 0        0.00000   0.12741  -0.71760  -0.22965   0.46630
  53        6D+1        0.72101   0.00000   0.00000   0.00000   0.00000
  54        6D-1        0.00000  -0.31150  -0.05277  -0.29785   0.14500
  55        6D+2        0.00000  -0.44089   0.23190  -0.18667  -0.38562
  56        6D-2       -0.04439   0.00000   0.00000   0.00000   0.00000
  57 5   N  1S          0.00000   0.00000  -0.01461   0.00408   0.00000
  58        2S          0.00000   0.00000  -0.51905  -0.75036   0.00000
  59        3S          0.00000   0.00000   0.89878   0.84681   0.00000
  60        4PX        -0.04796   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000   0.58587   0.00000   0.00000  -0.15400
  62        4PZ         0.00000   0.00000  -0.04733   0.35284   0.00000
  63        5PX        -0.37125   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000  -0.29098   0.00000   0.00000  -0.33581
  65        5PZ         0.00000   0.00000   0.06079  -0.24651   0.00000
  66        6D 0        0.00000   0.00000  -0.07901   0.13620   0.00000
  67        6D+1        0.16221   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000  -0.08422   0.00000   0.00000   0.09990
  69        6D+2        0.00000   0.00000  -0.09028   0.24613   0.00000
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000   0.00000   0.01461   0.00408   0.00000
  72        2S          0.00000   0.00000   0.51905  -0.75036   0.00000
  73        3S          0.00000   0.00000  -0.89878   0.84681   0.00000
  74        4PX         0.04796   0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000   0.58587   0.00000   0.00000   0.15400
  76        4PZ         0.00000   0.00000  -0.04733  -0.35284   0.00000
  77        5PX         0.37125   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000  -0.29098   0.00000   0.00000   0.33581
  79        5PZ         0.00000   0.00000   0.06079   0.24651   0.00000
  80        6D 0        0.00000   0.00000   0.07901   0.13620   0.00000
  81        6D+1        0.16221   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.08422   0.00000   0.00000   0.09990
  83        6D+2        0.00000   0.00000   0.09028   0.24613   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.00000  -0.17578  -0.15740   0.01518  -0.06267
  86        2S          0.00000  -0.34412   0.20284  -0.04759   0.61420
  87        3PX        -0.30290   0.00000   0.00000   0.00000   0.00000
  88        3PY         0.00000   0.03474  -0.07878  -0.07386  -0.27836
  89        3PZ         0.00000  -0.19996  -0.01834   0.40471  -0.16425
  90 8   H  1S          0.00000   0.17578  -0.15740   0.01518   0.06267
  91        2S          0.00000   0.34412   0.20284  -0.04759  -0.61420
  92        3PX        -0.30290   0.00000   0.00000   0.00000   0.00000
  93        3PY         0.00000   0.03474   0.07878   0.07386  -0.27836
  94        3PZ         0.00000   0.19996  -0.01834   0.40471   0.16425
  95 9   H  1S          0.00000  -0.17578   0.15740   0.01518   0.06267
  96        2S          0.00000  -0.34412  -0.20284  -0.04759  -0.61420
  97        3PX         0.30290   0.00000   0.00000   0.00000   0.00000
  98        3PY         0.00000   0.03474   0.07878  -0.07386   0.27836
  99        3PZ         0.00000   0.19996  -0.01834  -0.40471  -0.16425
 100 10  H  1S          0.00000   0.17578   0.15740   0.01518  -0.06267
 101        2S          0.00000   0.34412  -0.20284  -0.04759   0.61420
 102        3PX         0.30290   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.00000   0.03474  -0.07878   0.07386   0.27836
 104        3PZ         0.00000  -0.19996  -0.01834  -0.40471   0.16425
                          86        87        88        89        90
                        (AU)--V  (B2U)--V  (B3U)--V  (B3G)--V   (AG)--V
     Eigenvalues --     2.27814   2.34749   2.44763   2.47070   2.52761
   1 1   C  1S          0.00000   0.03426   0.00000  -0.03862  -0.00323
   2        2S          0.00000   0.21039   0.00000   0.50119   0.06792
   3        3S          0.00000  -1.61213   0.00000   2.20401  -0.01951
   4        4PX         0.01517   0.00000   0.07429   0.00000   0.00000
   5        4PY         0.00000   0.08650   0.00000   0.10619   0.57224
   6        4PZ         0.00000  -0.36216   0.00000  -0.22699   0.08854
   7        5PX         0.00999   0.00000   0.11082   0.00000   0.00000
   8        5PY         0.00000   0.52895   0.00000  -1.46012   0.43417
   9        5PZ         0.00000  -0.56890   0.00000   0.48110   0.17056
  10        6D 0        0.00000  -0.49634   0.00000   0.68636   0.07765
  11        6D+1       -0.44282   0.00000   0.05733   0.00000   0.00000
  12        6D-1        0.00000  -0.02218   0.00000  -0.29716   0.24418
  13        6D+2        0.00000   0.03184   0.00000  -0.20087   0.06568
  14        6D-2       -0.48402   0.00000  -0.34127   0.00000   0.00000
  15 2   C  1S          0.00000  -0.03426   0.00000   0.03862  -0.00323
  16        2S          0.00000  -0.21039   0.00000  -0.50119   0.06792
  17        3S          0.00000   1.61213   0.00000  -2.20401  -0.01951
  18        4PX        -0.01517   0.00000   0.07429   0.00000   0.00000
  19        4PY         0.00000   0.08650   0.00000   0.10619  -0.57224
  20        4PZ         0.00000   0.36216   0.00000   0.22699   0.08854
  21        5PX        -0.00999   0.00000   0.11082   0.00000   0.00000
  22        5PY         0.00000   0.52895   0.00000  -1.46012  -0.43417
  23        5PZ         0.00000   0.56890   0.00000  -0.48110   0.17056
  24        6D 0        0.00000   0.49634   0.00000  -0.68636   0.07765
  25        6D+1        0.44282   0.00000   0.05733   0.00000   0.00000
  26        6D-1        0.00000  -0.02218   0.00000  -0.29716  -0.24418
  27        6D+2        0.00000  -0.03184   0.00000   0.20087   0.06568
  28        6D-2       -0.48402   0.00000   0.34127   0.00000   0.00000
  29 3   C  1S          0.00000   0.03426   0.00000   0.03862  -0.00323
  30        2S          0.00000   0.21039   0.00000  -0.50119   0.06792
  31        3S          0.00000  -1.61213   0.00000  -2.20401  -0.01951
  32        4PX        -0.01517   0.00000   0.07429   0.00000   0.00000
  33        4PY         0.00000   0.08650   0.00000  -0.10619   0.57224
  34        4PZ         0.00000   0.36216   0.00000  -0.22699  -0.08854
  35        5PX        -0.00999   0.00000   0.11082   0.00000   0.00000
  36        5PY         0.00000   0.52895   0.00000   1.46012   0.43417
  37        5PZ         0.00000   0.56890   0.00000   0.48110  -0.17056
  38        6D 0        0.00000  -0.49634   0.00000  -0.68636   0.07765
  39        6D+1       -0.44282   0.00000  -0.05733   0.00000   0.00000
  40        6D-1        0.00000   0.02218   0.00000  -0.29716  -0.24418
  41        6D+2        0.00000   0.03184   0.00000   0.20087   0.06568
  42        6D-2        0.48402   0.00000  -0.34127   0.00000   0.00000
  43 4   C  1S          0.00000  -0.03426   0.00000  -0.03862  -0.00323
  44        2S          0.00000  -0.21039   0.00000   0.50119   0.06792
  45        3S          0.00000   1.61213   0.00000   2.20401  -0.01951
  46        4PX         0.01517   0.00000   0.07429   0.00000   0.00000
  47        4PY         0.00000   0.08650   0.00000  -0.10619  -0.57224
  48        4PZ         0.00000  -0.36216   0.00000   0.22699  -0.08854
  49        5PX         0.00999   0.00000   0.11082   0.00000   0.00000
  50        5PY         0.00000   0.52895   0.00000   1.46012  -0.43417
  51        5PZ         0.00000  -0.56890   0.00000  -0.48110  -0.17056
  52        6D 0        0.00000   0.49634   0.00000   0.68636   0.07765
  53        6D+1        0.44282   0.00000  -0.05733   0.00000   0.00000
  54        6D-1        0.00000   0.02218   0.00000  -0.29716   0.24418
  55        6D+2        0.00000  -0.03184   0.00000  -0.20087   0.06568
  56        6D-2        0.48402   0.00000   0.34127   0.00000   0.00000
  57 5   N  1S          0.00000   0.00000   0.00000   0.00000  -0.03513
  58        2S          0.00000   0.00000   0.00000   0.00000  -0.31777
  59        3S          0.00000   0.00000   0.00000   0.00000   1.44176
  60        4PX         0.00000   0.00000   0.02198   0.00000   0.00000
  61        4PY         0.00000  -0.08083   0.00000  -0.22484   0.00000
  62        4PZ         0.00000   0.00000   0.00000   0.00000  -0.09092
  63        5PX         0.00000   0.00000  -0.40494   0.00000   0.00000
  64        5PY         0.00000   1.62168   0.00000  -1.79240   0.00000
  65        5PZ         0.00000   0.00000   0.00000   0.00000  -0.70263
  66        6D 0        0.00000   0.00000   0.00000   0.00000   0.38261
  67        6D+1        0.00000   0.00000   0.74745   0.00000   0.00000
  68        6D-1        0.00000  -0.19901   0.00000   0.16473   0.00000
  69        6D+2        0.00000   0.00000   0.00000   0.00000  -0.35270
  70        6D-2       -0.03883   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000   0.00000   0.00000   0.00000  -0.03513
  72        2S          0.00000   0.00000   0.00000   0.00000  -0.31777
  73        3S          0.00000   0.00000   0.00000   0.00000   1.44176
  74        4PX         0.00000   0.00000   0.02198   0.00000   0.00000
  75        4PY         0.00000  -0.08083   0.00000   0.22484   0.00000
  76        4PZ         0.00000   0.00000   0.00000   0.00000   0.09092
  77        5PX         0.00000   0.00000  -0.40494   0.00000   0.00000
  78        5PY         0.00000   1.62168   0.00000   1.79240   0.00000
  79        5PZ         0.00000   0.00000   0.00000   0.00000   0.70263
  80        6D 0        0.00000   0.00000   0.00000   0.00000   0.38261
  81        6D+1        0.00000   0.00000  -0.74745   0.00000   0.00000
  82        6D-1        0.00000   0.19901   0.00000   0.16473   0.00000
  83        6D+2        0.00000   0.00000   0.00000   0.00000  -0.35270
  84        6D-2        0.03883   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.00000   0.14931   0.00000  -0.07939  -0.44087
  86        2S          0.00000   0.07403   0.00000  -0.03573  -0.32446
  87        3PX         0.48653   0.00000   0.12457   0.00000   0.00000
  88        3PY         0.00000  -0.31931   0.00000   0.44295   0.53307
  89        3PZ         0.00000   0.36585   0.00000   0.00681   0.19953
  90 8   H  1S          0.00000  -0.14931   0.00000   0.07939  -0.44087
  91        2S          0.00000  -0.07403   0.00000   0.03573  -0.32446
  92        3PX        -0.48653   0.00000   0.12457   0.00000   0.00000
  93        3PY         0.00000  -0.31931   0.00000   0.44295  -0.53307
  94        3PZ         0.00000  -0.36585   0.00000  -0.00681   0.19953
  95 9   H  1S          0.00000   0.14931   0.00000   0.07939  -0.44087
  96        2S          0.00000   0.07403   0.00000   0.03573  -0.32446
  97        3PX        -0.48653   0.00000   0.12457   0.00000   0.00000
  98        3PY         0.00000  -0.31931   0.00000  -0.44295   0.53307
  99        3PZ         0.00000  -0.36585   0.00000   0.00681  -0.19953
 100 10  H  1S          0.00000  -0.14931   0.00000  -0.07939  -0.44087
 101        2S          0.00000  -0.07403   0.00000  -0.03573  -0.32446
 102        3PX         0.48653   0.00000   0.12457   0.00000   0.00000
 103        3PY         0.00000  -0.31931   0.00000  -0.44295  -0.53307
 104        3PZ         0.00000   0.36585   0.00000  -0.00681  -0.19953
                          91        92        93        94        95
                       (B1U)--V  (B1G)--V  (B2G)--V  (B2U)--V  (B3G)--V
     Eigenvalues --     2.53877   2.54889   2.69978   2.81791   2.85145
   1 1   C  1S          0.00155   0.00000   0.00000   0.00224  -0.05603
   2        2S          0.15242   0.00000   0.00000  -0.47737  -0.59164
   3        3S         -1.07487   0.00000   0.00000  -0.47077   1.90273
   4        4PX         0.00000  -0.15778   0.06884   0.00000   0.00000
   5        4PY         0.58048   0.00000   0.00000  -0.52835   0.41430
   6        4PZ         0.10219   0.00000   0.00000  -0.26011   0.06548
   7        5PX         0.00000  -0.08306   0.21589   0.00000   0.00000
   8        5PY         0.55959   0.00000   0.00000  -0.37703   0.52714
   9        5PZ         0.67657   0.00000   0.00000  -0.22026  -1.89844
  10        6D 0        0.09674   0.00000   0.00000   0.16796  -0.22168
  11        6D+1        0.00000  -0.22838  -0.07579   0.00000   0.00000
  12        6D-1        0.18409   0.00000   0.00000  -0.39789  -0.19538
  13        6D+2       -0.00779   0.00000   0.00000   0.35134  -0.45089
  14        6D-2        0.00000   0.20040  -0.53875   0.00000   0.00000
  15 2   C  1S          0.00155   0.00000   0.00000  -0.00224   0.05603
  16        2S          0.15242   0.00000   0.00000   0.47737   0.59164
  17        3S         -1.07487   0.00000   0.00000   0.47077  -1.90273
  18        4PX         0.00000   0.15778   0.06884   0.00000   0.00000
  19        4PY        -0.58048   0.00000   0.00000  -0.52835   0.41430
  20        4PZ         0.10219   0.00000   0.00000   0.26011  -0.06548
  21        5PX         0.00000   0.08306   0.21589   0.00000   0.00000
  22        5PY        -0.55959   0.00000   0.00000  -0.37703   0.52714
  23        5PZ         0.67657   0.00000   0.00000   0.22026   1.89844
  24        6D 0        0.09674   0.00000   0.00000  -0.16796   0.22168
  25        6D+1        0.00000   0.22838  -0.07579   0.00000   0.00000
  26        6D-1       -0.18409   0.00000   0.00000  -0.39789  -0.19538
  27        6D+2       -0.00779   0.00000   0.00000  -0.35134   0.45089
  28        6D-2        0.00000   0.20040   0.53875   0.00000   0.00000
  29 3   C  1S         -0.00155   0.00000   0.00000   0.00224   0.05603
  30        2S         -0.15242   0.00000   0.00000  -0.47737   0.59164
  31        3S          1.07487   0.00000   0.00000  -0.47077  -1.90273
  32        4PX         0.00000  -0.15778  -0.06884   0.00000   0.00000
  33        4PY        -0.58048   0.00000   0.00000  -0.52835  -0.41430
  34        4PZ         0.10219   0.00000   0.00000   0.26011   0.06548
  35        5PX         0.00000  -0.08306  -0.21589   0.00000   0.00000
  36        5PY        -0.55959   0.00000   0.00000  -0.37703  -0.52714
  37        5PZ         0.67657   0.00000   0.00000   0.22026  -1.89844
  38        6D 0       -0.09674   0.00000   0.00000   0.16796   0.22168
  39        6D+1        0.00000   0.22838  -0.07579   0.00000   0.00000
  40        6D-1        0.18409   0.00000   0.00000   0.39789  -0.19538
  41        6D+2        0.00779   0.00000   0.00000   0.35134   0.45089
  42        6D-2        0.00000   0.20040   0.53875   0.00000   0.00000
  43 4   C  1S         -0.00155   0.00000   0.00000  -0.00224  -0.05603
  44        2S         -0.15242   0.00000   0.00000   0.47737  -0.59164
  45        3S          1.07487   0.00000   0.00000   0.47077   1.90273
  46        4PX         0.00000   0.15778  -0.06884   0.00000   0.00000
  47        4PY         0.58048   0.00000   0.00000  -0.52835  -0.41430
  48        4PZ         0.10219   0.00000   0.00000  -0.26011  -0.06548
  49        5PX         0.00000   0.08306  -0.21589   0.00000   0.00000
  50        5PY         0.55959   0.00000   0.00000  -0.37703  -0.52714
  51        5PZ         0.67657   0.00000   0.00000  -0.22026   1.89844
  52        6D 0       -0.09674   0.00000   0.00000  -0.16796  -0.22168
  53        6D+1        0.00000  -0.22838  -0.07579   0.00000   0.00000
  54        6D-1       -0.18409   0.00000   0.00000   0.39789  -0.19538
  55        6D+2        0.00779   0.00000   0.00000  -0.35134  -0.45089
  56        6D-2        0.00000   0.20040  -0.53875   0.00000   0.00000
  57 5   N  1S         -0.03149   0.00000   0.00000   0.00000   0.00000
  58        2S         -0.43884   0.00000   0.00000   0.00000   0.00000
  59        3S          1.54263   0.00000   0.00000   0.00000   0.00000
  60        4PX         0.00000   0.00000  -0.03631   0.00000   0.00000
  61        4PY         0.00000   0.00000   0.00000  -0.10149  -0.46784
  62        4PZ         0.01492   0.00000   0.00000   0.00000   0.00000
  63        5PX         0.00000   0.00000  -0.43733   0.00000   0.00000
  64        5PY         0.00000   0.00000   0.00000   0.04705   1.63716
  65        5PZ        -0.85926   0.00000   0.00000   0.00000   0.00000
  66        6D 0        0.36549   0.00000   0.00000   0.00000   0.00000
  67        6D+1        0.00000   0.00000   0.69450   0.00000   0.00000
  68        6D-1        0.00000   0.00000   0.00000  -0.10067  -0.35917
  69        6D+2       -0.31987   0.00000   0.00000   0.00000   0.00000
  70        6D-2        0.00000   0.80081   0.00000   0.00000   0.00000
  71 6   N  1S          0.03149   0.00000   0.00000   0.00000   0.00000
  72        2S          0.43884   0.00000   0.00000   0.00000   0.00000
  73        3S         -1.54263   0.00000   0.00000   0.00000   0.00000
  74        4PX         0.00000   0.00000   0.03631   0.00000   0.00000
  75        4PY         0.00000   0.00000   0.00000  -0.10149   0.46784
  76        4PZ         0.01492   0.00000   0.00000   0.00000   0.00000
  77        5PX         0.00000   0.00000   0.43733   0.00000   0.00000
  78        5PY         0.00000   0.00000   0.00000   0.04705  -1.63716
  79        5PZ        -0.85926   0.00000   0.00000   0.00000   0.00000
  80        6D 0       -0.36549   0.00000   0.00000   0.00000   0.00000
  81        6D+1        0.00000   0.00000   0.69450   0.00000   0.00000
  82        6D-1        0.00000   0.00000   0.00000   0.10067  -0.35917
  83        6D+2        0.31987   0.00000   0.00000   0.00000   0.00000
  84        6D-2        0.00000   0.80081   0.00000   0.00000   0.00000
  85 7   H  1S         -0.40390   0.00000   0.00000   0.85586  -0.30781
  86        2S         -0.39577   0.00000   0.00000   0.38272   0.06313
  87        3PX         0.00000   0.05798   0.24287   0.00000   0.00000
  88        3PY         0.54765   0.00000   0.00000  -0.64771   0.02495
  89        3PZ         0.18196   0.00000   0.00000  -0.48160   0.46983
  90 8   H  1S         -0.40390   0.00000   0.00000  -0.85586   0.30781
  91        2S         -0.39577   0.00000   0.00000  -0.38272  -0.06313
  92        3PX         0.00000  -0.05798   0.24287   0.00000   0.00000
  93        3PY        -0.54765   0.00000   0.00000  -0.64771   0.02495
  94        3PZ         0.18196   0.00000   0.00000   0.48160  -0.46983
  95 9   H  1S          0.40390   0.00000   0.00000   0.85586   0.30781
  96        2S          0.39577   0.00000   0.00000   0.38272  -0.06313
  97        3PX         0.00000   0.05798  -0.24287   0.00000   0.00000
  98        3PY        -0.54765   0.00000   0.00000  -0.64771  -0.02495
  99        3PZ         0.18196   0.00000   0.00000   0.48160   0.46983
 100 10  H  1S          0.40390   0.00000   0.00000  -0.85586  -0.30781
 101        2S          0.39577   0.00000   0.00000  -0.38272   0.06313
 102        3PX         0.00000  -0.05798  -0.24287   0.00000   0.00000
 103        3PY         0.54765   0.00000   0.00000  -0.64771  -0.02495
 104        3PZ         0.18196   0.00000   0.00000  -0.48160  -0.46983
                          96        97        98        99       100
                        (AU)--V  (B1U)--V   (AG)--V  (B2U)--V   (AG)--V
     Eigenvalues --     2.85629   2.87712   2.89885   3.13151   3.17666
   1 1   C  1S          0.00000  -0.05405   0.00481  -0.00943   0.02725
   2        2S          0.00000   0.00896  -0.51745  -0.50207   0.07390
   3        3S          0.00000   2.90894  -0.96607  -0.55701  -0.54949
   4        4PX        -0.01598   0.00000   0.00000   0.00000   0.00000
   5        4PY         0.00000   0.00686  -0.17801   0.48604   0.25872
   6        4PZ         0.00000   0.34667  -0.33003  -0.08853  -0.34811
   7        5PX         0.01764   0.00000   0.00000   0.00000   0.00000
   8        5PY         0.00000  -0.05557   0.10210   0.21483   0.23668
   9        5PZ         0.00000  -0.94512  -0.15399  -0.39093  -0.16679
  10        6D 0        0.00000  -0.23432   0.13019   0.24669  -0.45398
  11        6D+1       -0.48911   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000  -0.43950  -0.32412   0.25438   0.20808
  13        6D+2        0.00000  -0.67086   0.38703   0.15213  -0.07925
  14        6D-2        0.33311   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S          0.00000  -0.05405   0.00481   0.00943   0.02725
  16        2S          0.00000   0.00896  -0.51745   0.50207   0.07390
  17        3S          0.00000   2.90894  -0.96607   0.55701  -0.54949
  18        4PX         0.01598   0.00000   0.00000   0.00000   0.00000
  19        4PY         0.00000  -0.00686   0.17801   0.48604  -0.25872
  20        4PZ         0.00000   0.34667  -0.33003   0.08853  -0.34811
  21        5PX        -0.01764   0.00000   0.00000   0.00000   0.00000
  22        5PY         0.00000   0.05557  -0.10210   0.21483  -0.23668
  23        5PZ         0.00000  -0.94512  -0.15399   0.39093  -0.16679
  24        6D 0        0.00000  -0.23432   0.13019  -0.24669  -0.45398
  25        6D+1        0.48911   0.00000   0.00000   0.00000   0.00000
  26        6D-1        0.00000   0.43950   0.32412   0.25438  -0.20808
  27        6D+2        0.00000  -0.67086   0.38703  -0.15213  -0.07925
  28        6D-2        0.33311   0.00000   0.00000   0.00000   0.00000
  29 3   C  1S          0.00000   0.05405   0.00481  -0.00943   0.02725
  30        2S          0.00000  -0.00896  -0.51745  -0.50207   0.07390
  31        3S          0.00000  -2.90894  -0.96607  -0.55701  -0.54949
  32        4PX         0.01598   0.00000   0.00000   0.00000   0.00000
  33        4PY         0.00000  -0.00686  -0.17801   0.48604   0.25872
  34        4PZ         0.00000   0.34667   0.33003   0.08853   0.34811
  35        5PX        -0.01764   0.00000   0.00000   0.00000   0.00000
  36        5PY         0.00000   0.05557   0.10210   0.21483   0.23668
  37        5PZ         0.00000  -0.94512   0.15399   0.39093   0.16679
  38        6D 0        0.00000   0.23432   0.13019   0.24669  -0.45398
  39        6D+1       -0.48911   0.00000   0.00000   0.00000   0.00000
  40        6D-1        0.00000  -0.43950   0.32412  -0.25438  -0.20808
  41        6D+2        0.00000   0.67086   0.38703   0.15213  -0.07925
  42        6D-2       -0.33311   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S          0.00000   0.05405   0.00481   0.00943   0.02725
  44        2S          0.00000  -0.00896  -0.51745   0.50207   0.07390
  45        3S          0.00000  -2.90894  -0.96607   0.55701  -0.54949
  46        4PX        -0.01598   0.00000   0.00000   0.00000   0.00000
  47        4PY         0.00000   0.00686   0.17801   0.48604  -0.25872
  48        4PZ         0.00000   0.34667   0.33003  -0.08853   0.34811
  49        5PX         0.01764   0.00000   0.00000   0.00000   0.00000
  50        5PY         0.00000  -0.05557  -0.10210   0.21483  -0.23668
  51        5PZ         0.00000  -0.94512   0.15399  -0.39093   0.16679
  52        6D 0        0.00000   0.23432   0.13019  -0.24669  -0.45398
  53        6D+1        0.48911   0.00000   0.00000   0.00000   0.00000
  54        6D-1        0.00000   0.43950  -0.32412  -0.25438   0.20808
  55        6D+2        0.00000   0.67086   0.38703  -0.15213  -0.07925
  56        6D-2       -0.33311   0.00000   0.00000   0.00000   0.00000
  57 5   N  1S          0.00000   0.03646  -0.05041   0.00000  -0.04038
  58        2S          0.00000  -0.27371  -0.71779   0.00000  -0.34112
  59        3S          0.00000  -1.45434   1.96611   0.00000   1.52027
  60        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000   0.00000   0.00000   0.13675   0.00000
  62        4PZ         0.00000   0.34112   0.02406   0.00000   0.00011
  63        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000   0.00000   0.00000   1.19524   0.00000
  65        5PZ         0.00000   0.85242  -0.84998   0.00000  -0.17263
  66        6D 0        0.00000  -0.19987   0.43874   0.00000  -0.54909
  67        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.00000   0.00000  -0.96650   0.00000
  69        6D+2        0.00000   0.39866  -0.36109   0.00000  -0.68002
  70        6D-2        0.80382   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000  -0.03646  -0.05041   0.00000  -0.04038
  72        2S          0.00000   0.27371  -0.71779   0.00000  -0.34112
  73        3S          0.00000   1.45434   1.96611   0.00000   1.52027
  74        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000   0.00000   0.00000   0.13675   0.00000
  76        4PZ         0.00000   0.34112  -0.02406   0.00000  -0.00011
  77        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000   0.00000   0.00000   1.19524   0.00000
  79        5PZ         0.00000   0.85242   0.84998   0.00000   0.17263
  80        6D 0        0.00000   0.19987   0.43874   0.00000  -0.54909
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.00000   0.00000   0.96650   0.00000
  83        6D+2        0.00000  -0.39866  -0.36109   0.00000  -0.68002
  84        6D-2       -0.80382   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.00000  -0.43517   0.69002  -0.05564  -0.11807
  86        2S          0.00000  -0.16730   0.21224  -0.03795   0.02201
  87        3PX        -0.01797   0.00000   0.00000   0.00000   0.00000
  88        3PY         0.00000   0.10738  -0.52118   0.15644  -0.07945
  89        3PZ         0.00000   0.52621  -0.33163  -0.04617   0.26413
  90 8   H  1S          0.00000  -0.43517   0.69002   0.05564  -0.11807
  91        2S          0.00000  -0.16730   0.21224   0.03795   0.02201
  92        3PX         0.01797   0.00000   0.00000   0.00000   0.00000
  93        3PY         0.00000  -0.10738   0.52118   0.15644   0.07945
  94        3PZ         0.00000   0.52621  -0.33163   0.04617   0.26413
  95 9   H  1S          0.00000   0.43517   0.69002  -0.05564  -0.11807
  96        2S          0.00000   0.16730   0.21224  -0.03795   0.02201
  97        3PX         0.01797   0.00000   0.00000   0.00000   0.00000
  98        3PY         0.00000  -0.10738  -0.52118   0.15644  -0.07945
  99        3PZ         0.00000   0.52621   0.33163   0.04617  -0.26413
 100 10  H  1S          0.00000   0.43517   0.69002   0.05564  -0.11807
 101        2S          0.00000   0.16730   0.21224   0.03795   0.02201
 102        3PX        -0.01797   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.00000   0.10738   0.52118   0.15644   0.07945
 104        3PZ         0.00000   0.52621   0.33163  -0.04617  -0.26413
                         101       102       103       104
                       (B1U)--V  (B3G)--V  (B3G)--V  (B1U)--V
     Eigenvalues --     3.20414   3.23599   3.32525   3.77329
   1 1   C  1S          0.01988  -0.03369  -0.02656   0.00292
   2        2S         -0.58007   0.05392   0.11043  -0.10175
   3        3S         -2.31451   1.36091   1.23726   0.23129
   4        4PX         0.00000   0.00000   0.00000   0.00000
   5        4PY         0.06776  -0.23386   0.40008   0.25539
   6        4PZ        -0.04839   0.47576   0.22636   0.20287
   7        5PX         0.00000   0.00000   0.00000   0.00000
   8        5PY         0.90985  -0.60329   0.12618   0.44549
   9        5PZ         0.27971   0.16703  -0.23887  -0.13486
  10        6D 0       -0.47652  -0.44882  -0.03525  -0.50156
  11        6D+1        0.00000   0.00000   0.00000   0.00000
  12        6D-1       -0.45903  -0.32789   1.12829   1.08378
  13        6D+2        0.17228  -0.50918  -0.39637  -0.28288
  14        6D-2        0.00000   0.00000   0.00000   0.00000
  15 2   C  1S          0.01988   0.03369   0.02656   0.00292
  16        2S         -0.58007  -0.05392  -0.11043  -0.10175
  17        3S         -2.31451  -1.36091  -1.23726   0.23129
  18        4PX         0.00000   0.00000   0.00000   0.00000
  19        4PY        -0.06776  -0.23386   0.40008  -0.25539
  20        4PZ        -0.04839  -0.47576  -0.22636   0.20287
  21        5PX         0.00000   0.00000   0.00000   0.00000
  22        5PY        -0.90985  -0.60329   0.12618  -0.44549
  23        5PZ         0.27971  -0.16703   0.23887  -0.13486
  24        6D 0       -0.47652   0.44882   0.03525  -0.50156
  25        6D+1        0.00000   0.00000   0.00000   0.00000
  26        6D-1        0.45903  -0.32789   1.12829  -1.08378
  27        6D+2        0.17228   0.50918   0.39637  -0.28288
  28        6D-2        0.00000   0.00000   0.00000   0.00000
  29 3   C  1S         -0.01988   0.03369   0.02656  -0.00292
  30        2S          0.58007  -0.05392  -0.11043   0.10175
  31        3S          2.31451  -1.36091  -1.23726  -0.23129
  32        4PX         0.00000   0.00000   0.00000   0.00000
  33        4PY        -0.06776   0.23386  -0.40008  -0.25539
  34        4PZ        -0.04839   0.47576   0.22636   0.20287
  35        5PX         0.00000   0.00000   0.00000   0.00000
  36        5PY        -0.90985   0.60329  -0.12618  -0.44549
  37        5PZ         0.27971   0.16703  -0.23887  -0.13486
  38        6D 0        0.47652   0.44882   0.03525   0.50156
  39        6D+1        0.00000   0.00000   0.00000   0.00000
  40        6D-1       -0.45903  -0.32789   1.12829   1.08378
  41        6D+2       -0.17228   0.50918   0.39637   0.28288
  42        6D-2        0.00000   0.00000   0.00000   0.00000
  43 4   C  1S         -0.01988  -0.03369  -0.02656  -0.00292
  44        2S          0.58007   0.05392   0.11043   0.10175
  45        3S          2.31451   1.36091   1.23726  -0.23129
  46        4PX         0.00000   0.00000   0.00000   0.00000
  47        4PY         0.06776   0.23386  -0.40008   0.25539
  48        4PZ        -0.04839  -0.47576  -0.22636   0.20287
  49        5PX         0.00000   0.00000   0.00000   0.00000
  50        5PY         0.90985   0.60329  -0.12618   0.44549
  51        5PZ         0.27971  -0.16703   0.23887  -0.13486
  52        6D 0        0.47652  -0.44882  -0.03525   0.50156
  53        6D+1        0.00000   0.00000   0.00000   0.00000
  54        6D-1        0.45903  -0.32789   1.12829  -1.08378
  55        6D+2       -0.17228  -0.50918  -0.39637   0.28288
  56        6D-2        0.00000   0.00000   0.00000   0.00000
  57 5   N  1S         -0.07845   0.00000   0.00000  -0.00974
  58        2S         -1.11783   0.00000   0.00000   0.28270
  59        3S          3.36716   0.00000   0.00000   0.80351
  60        4PX         0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000  -0.32079   0.38927   0.00000
  62        4PZ         0.12794   0.00000   0.00000  -0.07267
  63        5PX         0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000  -1.15058   0.13611   0.00000
  65        5PZ        -1.00185   0.00000   0.00000   0.15944
  66        6D 0       -0.03461   0.00000   0.00000  -0.77449
  67        6D+1        0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.95064  -0.08546   0.00000
  69        6D+2       -0.57056   0.00000   0.00000  -0.56450
  70        6D-2        0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.07845   0.00000   0.00000   0.00974
  72        2S          1.11783   0.00000   0.00000  -0.28270
  73        3S         -3.36716   0.00000   0.00000  -0.80351
  74        4PX         0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000   0.32079  -0.38927   0.00000
  76        4PZ         0.12794   0.00000   0.00000  -0.07267
  77        5PX         0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000   1.15058  -0.13611   0.00000
  79        5PZ        -1.00185   0.00000   0.00000   0.15944
  80        6D 0        0.03461   0.00000   0.00000   0.77449
  81        6D+1        0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.95064  -0.08546   0.00000
  83        6D+2        0.57056   0.00000   0.00000   0.56450
  84        6D-2        0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.46538  -0.18445  -1.04590  -0.79594
  86        2S         -0.02062   0.00099  -0.17390  -0.12926
  87        3PX         0.00000   0.00000   0.00000   0.00000
  88        3PY        -0.51571  -0.02155   0.69468   0.36750
  89        3PZ         0.02821   0.30544   0.22769   0.24444
  90 8   H  1S          0.46538   0.18445   1.04590  -0.79594
  91        2S         -0.02062  -0.00099   0.17390  -0.12926
  92        3PX         0.00000   0.00000   0.00000   0.00000
  93        3PY         0.51571  -0.02155   0.69468  -0.36750
  94        3PZ         0.02821  -0.30544  -0.22769   0.24444
  95 9   H  1S         -0.46538   0.18445   1.04590   0.79594
  96        2S          0.02062  -0.00099   0.17390   0.12926
  97        3PX         0.00000   0.00000   0.00000   0.00000
  98        3PY         0.51571   0.02155  -0.69468  -0.36750
  99        3PZ         0.02821   0.30544   0.22769   0.24444
 100 10  H  1S         -0.46538  -0.18445  -1.04590   0.79594
 101        2S          0.02062   0.00099  -0.17390   0.12926
 102        3PX         0.00000   0.00000   0.00000   0.00000
 103        3PY        -0.51571   0.02155  -0.69468   0.36750
 104        3PZ         0.02821  -0.30544  -0.22769   0.24444
     Beta Molecular Orbital Coefficients:
                           1         2         3         4         5
                       (B1U)--O   (AG)--O  (B2U)--O   (AG)--O  (B1U)--O
     Eigenvalues --   -15.59508 -15.59506 -11.28714 -11.28710 -11.28593
   1 1   C  1S          0.00006   0.00006   0.49855   0.49852   0.49867
   2        2S          0.00014  -0.00003   0.00892   0.00878   0.00908
   3        3S          0.00390   0.00140  -0.00187  -0.00181  -0.00115
   4        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
   5        4PY        -0.00004   0.00007  -0.00023  -0.00029  -0.00026
   6        4PZ        -0.00008   0.00008   0.00011   0.00027   0.00012
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        5PY        -0.00273  -0.00080   0.00032  -0.00074  -0.00213
   9        5PZ        -0.00077   0.00014   0.00066  -0.00013  -0.00013
  10        6D 0        0.00011   0.00003   0.00009   0.00001   0.00032
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00053   0.00029  -0.00005  -0.00009  -0.00010
  13        6D+2        0.00020   0.00010  -0.00012  -0.00032  -0.00059
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S          0.00006   0.00006  -0.49855   0.49852   0.49867
  16        2S          0.00014  -0.00003  -0.00892   0.00878   0.00908
  17        3S          0.00390   0.00140   0.00187  -0.00181  -0.00115
  18        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  19        4PY         0.00004  -0.00007  -0.00023   0.00029   0.00026
  20        4PZ        -0.00008   0.00008  -0.00011   0.00027   0.00012
  21        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  22        5PY         0.00273   0.00080   0.00032   0.00074   0.00213
  23        5PZ        -0.00077   0.00014  -0.00066  -0.00013  -0.00013
  24        6D 0        0.00011   0.00003  -0.00009   0.00001   0.00032
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  26        6D-1       -0.00053  -0.00029  -0.00005   0.00009   0.00010
  27        6D+2        0.00020   0.00010   0.00012  -0.00032  -0.00059
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  29 3   C  1S         -0.00006   0.00006   0.49855   0.49852  -0.49867
  30        2S         -0.00014  -0.00003   0.00892   0.00878  -0.00908
  31        3S         -0.00390   0.00140  -0.00187  -0.00181   0.00115
  32        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  33        4PY         0.00004   0.00007  -0.00023  -0.00029   0.00026
  34        4PZ        -0.00008  -0.00008  -0.00011  -0.00027   0.00012
  35        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  36        5PY         0.00273  -0.00080   0.00032  -0.00074   0.00213
  37        5PZ        -0.00077  -0.00014  -0.00066   0.00013  -0.00013
  38        6D 0       -0.00011   0.00003   0.00009   0.00001  -0.00032
  39        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  40        6D-1        0.00053  -0.00029   0.00005   0.00009  -0.00010
  41        6D+2       -0.00020   0.00010  -0.00012  -0.00032   0.00059
  42        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S         -0.00006   0.00006  -0.49855   0.49852  -0.49867
  44        2S         -0.00014  -0.00003  -0.00892   0.00878  -0.00908
  45        3S         -0.00390   0.00140   0.00187  -0.00181   0.00115
  46        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  47        4PY        -0.00004  -0.00007  -0.00023   0.00029  -0.00026
  48        4PZ        -0.00008  -0.00008   0.00011  -0.00027   0.00012
  49        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  50        5PY        -0.00273   0.00080   0.00032   0.00074  -0.00213
  51        5PZ        -0.00077  -0.00014   0.00066   0.00013  -0.00013
  52        6D 0       -0.00011   0.00003  -0.00009   0.00001  -0.00032
  53        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  54        6D-1       -0.00053   0.00029   0.00005  -0.00009   0.00010
  55        6D+2       -0.00020   0.00010   0.00012  -0.00032   0.00059
  56        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  57 5   N  1S          0.70525   0.70520   0.00000  -0.00024  -0.00021
  58        2S          0.01248   0.01191   0.00000   0.00047   0.00079
  59        3S         -0.00829  -0.00556   0.00000  -0.00178  -0.00412
  60        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000   0.00000   0.00014   0.00000   0.00000
  62        4PZ        -0.00159  -0.00151   0.00000  -0.00006  -0.00001
  63        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000   0.00000  -0.00103   0.00000   0.00000
  65        5PZ         0.00258   0.00176   0.00000   0.00106   0.00165
  66        6D 0        0.00003   0.00003   0.00000  -0.00007  -0.00011
  67        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.00000   0.00007   0.00000   0.00000
  69        6D+2       -0.00027  -0.00024   0.00000   0.00033   0.00043
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S         -0.70525   0.70520   0.00000  -0.00024   0.00021
  72        2S         -0.01248   0.01191   0.00000   0.00047  -0.00079
  73        3S          0.00829  -0.00556   0.00000  -0.00178   0.00412
  74        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000   0.00000   0.00014   0.00000   0.00000
  76        4PZ        -0.00159   0.00151   0.00000   0.00006  -0.00001
  77        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000   0.00000  -0.00103   0.00000   0.00000
  79        5PZ         0.00258  -0.00176   0.00000  -0.00106   0.00165
  80        6D 0       -0.00003   0.00003   0.00000  -0.00007   0.00011
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.00000  -0.00007   0.00000   0.00000
  83        6D+2        0.00027  -0.00024   0.00000   0.00033  -0.00043
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S         -0.00002  -0.00013  -0.00029  -0.00012  -0.00009
  86        2S          0.00067   0.00016   0.00036   0.00094   0.00109
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  88        3PY         0.00019   0.00010   0.00016   0.00019   0.00033
  89        3PZ        -0.00007  -0.00006  -0.00001   0.00002   0.00016
  90 8   H  1S         -0.00002  -0.00013   0.00029  -0.00012  -0.00009
  91        2S          0.00067   0.00016  -0.00036   0.00094   0.00109
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY        -0.00019  -0.00010   0.00016  -0.00019  -0.00033
  94        3PZ        -0.00007  -0.00006   0.00001   0.00002   0.00016
  95 9   H  1S          0.00002  -0.00013  -0.00029  -0.00012   0.00009
  96        2S         -0.00067   0.00016   0.00036   0.00094  -0.00109
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  98        3PY        -0.00019   0.00010   0.00016   0.00019  -0.00033
  99        3PZ        -0.00007   0.00006   0.00001  -0.00002   0.00016
 100 10  H  1S          0.00002  -0.00013   0.00029  -0.00012   0.00009
 101        2S         -0.00067   0.00016  -0.00036   0.00094  -0.00109
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.00019  -0.00010   0.00016  -0.00019   0.00033
 104        3PZ        -0.00007   0.00006  -0.00001  -0.00002   0.00016
                           6         7         8         9        10
                       (B3G)--O   (AG)--O  (B1U)--O  (B2U)--O   (AG)--O
     Eigenvalues --   -11.28592  -1.30850  -1.22045  -1.05409  -0.90249
   1 1   C  1S          0.49873  -0.07564  -0.05595  -0.10849   0.06816
   2        2S          0.00935   0.15164   0.10810   0.21829  -0.14133
   3        3S         -0.00558   0.05786   0.04344   0.12743  -0.10454
   4        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
   5        4PY        -0.00018  -0.07741  -0.08073  -0.00172  -0.11295
   6        4PZ         0.00011  -0.00447   0.07120  -0.05452   0.15772
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        5PY        -0.00020  -0.00555  -0.00127  -0.01277  -0.02812
   9        5PZ         0.00311  -0.00699   0.00552  -0.03296   0.03940
  10        6D 0        0.00032   0.00233  -0.01022   0.01466  -0.01563
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1       -0.00002  -0.00894  -0.01814  -0.00482  -0.00801
  13        6D+2       -0.00041  -0.00970  -0.01349  -0.00174  -0.00603
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S         -0.49873  -0.07564  -0.05595   0.10849   0.06816
  16        2S         -0.00935   0.15164   0.10810  -0.21829  -0.14133
  17        3S          0.00558   0.05786   0.04344  -0.12743  -0.10454
  18        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  19        4PY        -0.00018   0.07741   0.08073  -0.00172   0.11295
  20        4PZ        -0.00011  -0.00447   0.07120   0.05452   0.15772
  21        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  22        5PY        -0.00020   0.00555   0.00127  -0.01277   0.02812
  23        5PZ        -0.00311  -0.00699   0.00552   0.03296   0.03940
  24        6D 0       -0.00032   0.00233  -0.01022  -0.01466  -0.01563
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  26        6D-1       -0.00002   0.00894   0.01814  -0.00482   0.00801
  27        6D+2        0.00041  -0.00970  -0.01349   0.00174  -0.00603
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  29 3   C  1S         -0.49873  -0.07564   0.05595  -0.10849   0.06816
  30        2S         -0.00935   0.15164  -0.10810   0.21829  -0.14133
  31        3S          0.00558   0.05786  -0.04344   0.12743  -0.10454
  32        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  33        4PY         0.00018  -0.07741   0.08073  -0.00172  -0.11295
  34        4PZ         0.00011   0.00447   0.07120   0.05452  -0.15772
  35        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  36        5PY         0.00020  -0.00555   0.00127  -0.01277  -0.02812
  37        5PZ         0.00311   0.00699   0.00552   0.03296  -0.03940
  38        6D 0       -0.00032   0.00233   0.01022   0.01466  -0.01563
  39        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  40        6D-1       -0.00002   0.00894  -0.01814   0.00482   0.00801
  41        6D+2        0.00041  -0.00970   0.01349  -0.00174  -0.00603
  42        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S          0.49873  -0.07564   0.05595   0.10849   0.06816
  44        2S          0.00935   0.15164  -0.10810  -0.21829  -0.14133
  45        3S         -0.00558   0.05786  -0.04344  -0.12743  -0.10454
  46        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  47        4PY         0.00018   0.07741  -0.08073  -0.00172   0.11295
  48        4PZ        -0.00011   0.00447   0.07120  -0.05452  -0.15772
  49        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  50        5PY         0.00020   0.00555  -0.00127  -0.01277   0.02812
  51        5PZ        -0.00311   0.00699   0.00552  -0.03296  -0.03940
  52        6D 0        0.00032   0.00233   0.01022  -0.01466  -0.01563
  53        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  54        6D-1       -0.00002  -0.00894   0.01814   0.00482  -0.00801
  55        6D+2       -0.00041  -0.00970   0.01349   0.00174  -0.00603
  56        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  57 5   N  1S          0.00000  -0.11068  -0.13343   0.00000  -0.08211
  58        2S          0.00000   0.22605   0.27123   0.00000   0.18131
  59        3S          0.00000   0.19970   0.26074   0.00000   0.18369
  60        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00017   0.00000   0.00000   0.13346   0.00000
  62        4PZ         0.00000  -0.08421  -0.07373   0.00000   0.01440
  63        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  64        5PY        -0.00192   0.00000   0.00000   0.05921   0.00000
  65        5PZ         0.00000  -0.03193  -0.03177   0.00000   0.01349
  66        6D 0        0.00000   0.00392   0.00124   0.00000  -0.00407
  67        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00018   0.00000   0.00000  -0.01817   0.00000
  69        6D+2        0.00000  -0.00938  -0.01061   0.00000  -0.00363
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000  -0.11068   0.13343   0.00000  -0.08211
  72        2S          0.00000   0.22605  -0.27123   0.00000   0.18131
  73        3S          0.00000   0.19970  -0.26074   0.00000   0.18369
  74        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  75        4PY        -0.00017   0.00000   0.00000   0.13346   0.00000
  76        4PZ         0.00000   0.08421  -0.07373   0.00000  -0.01440
  77        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00192   0.00000   0.00000   0.05921   0.00000
  79        5PZ         0.00000   0.03193  -0.03177   0.00000  -0.01349
  80        6D 0        0.00000   0.00392  -0.00124   0.00000  -0.00407
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00018   0.00000   0.00000   0.01817   0.00000
  83        6D+2        0.00000  -0.00938   0.01061   0.00000  -0.00363
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S         -0.00028   0.03079   0.03045   0.09075  -0.08662
  86        2S          0.00004  -0.00058  -0.00069   0.01484  -0.00811
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  88        3PY         0.00032  -0.00607  -0.00735  -0.01042   0.00734
  89        3PZ         0.00004  -0.00192   0.00038  -0.00809   0.00891
  90 8   H  1S          0.00028   0.03079   0.03045  -0.09075  -0.08662
  91        2S         -0.00004  -0.00058  -0.00069  -0.01484  -0.00811
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY         0.00032   0.00607   0.00735  -0.01042  -0.00734
  94        3PZ        -0.00004  -0.00192   0.00038   0.00809   0.00891
  95 9   H  1S          0.00028   0.03079  -0.03045   0.09075  -0.08662
  96        2S         -0.00004  -0.00058   0.00069   0.01484  -0.00811
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  98        3PY        -0.00032  -0.00607   0.00735  -0.01042   0.00734
  99        3PZ         0.00004   0.00192   0.00038   0.00809  -0.00891
 100 10  H  1S         -0.00028   0.03079  -0.03045  -0.09075  -0.08662
 101        2S          0.00004  -0.00058   0.00069  -0.01484  -0.00811
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
 103        3PY        -0.00032   0.00607  -0.00735  -0.01042  -0.00734
 104        3PZ        -0.00004   0.00192   0.00038  -0.00809  -0.00891
                          11        12        13        14        15
                       (B3G)--O   (AG)--O  (B2U)--O  (B1U)--O  (B2U)--O
     Eigenvalues --    -0.88781  -0.72631  -0.70201  -0.67648  -0.60892
   1 1   C  1S         -0.08278  -0.00571   0.00578  -0.04970   0.01550
   2        2S          0.17082   0.00517  -0.00977   0.10692  -0.04247
   3        3S          0.16589   0.02591  -0.02279   0.09975  -0.04366
   4        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
   5        4PY        -0.02488   0.15236  -0.14027   0.17213   0.19766
   6        4PZ         0.11936   0.15567   0.23569   0.07056   0.17600
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        5PY        -0.02433   0.04972  -0.04066   0.06117   0.08772
   9        5PZ        -0.01631   0.04755   0.06078   0.02473   0.05640
  10        6D 0       -0.00159  -0.00014  -0.00708  -0.00070  -0.01248
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1       -0.01158  -0.00652  -0.01045   0.02080   0.00362
  13        6D+2       -0.00749   0.00460  -0.00615   0.00369  -0.00597
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S          0.08278  -0.00571  -0.00578  -0.04970  -0.01550
  16        2S         -0.17082   0.00517   0.00977   0.10692   0.04247
  17        3S         -0.16589   0.02591   0.02279   0.09975   0.04366
  18        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  19        4PY        -0.02488  -0.15236  -0.14027  -0.17213   0.19766
  20        4PZ        -0.11936   0.15567  -0.23569   0.07056  -0.17600
  21        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  22        5PY        -0.02433  -0.04972  -0.04066  -0.06117   0.08772
  23        5PZ         0.01631   0.04755  -0.06078   0.02473  -0.05640
  24        6D 0        0.00159  -0.00014   0.00708  -0.00070   0.01248
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  26        6D-1       -0.01158   0.00652  -0.01045  -0.02080   0.00362
  27        6D+2        0.00749   0.00460   0.00615   0.00369   0.00597
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  29 3   C  1S          0.08278  -0.00571   0.00578   0.04970   0.01550
  30        2S         -0.17082   0.00517  -0.00977  -0.10692  -0.04247
  31        3S         -0.16589   0.02591  -0.02279  -0.09975  -0.04366
  32        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  33        4PY         0.02488   0.15236  -0.14027  -0.17213   0.19766
  34        4PZ         0.11936  -0.15567  -0.23569   0.07056  -0.17600
  35        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  36        5PY         0.02433   0.04972  -0.04066  -0.06117   0.08772
  37        5PZ        -0.01631  -0.04755  -0.06078   0.02473  -0.05640
  38        6D 0        0.00159  -0.00014  -0.00708   0.00070  -0.01248
  39        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  40        6D-1       -0.01158   0.00652   0.01045   0.02080  -0.00362
  41        6D+2        0.00749   0.00460  -0.00615  -0.00369  -0.00597
  42        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S         -0.08278  -0.00571  -0.00578   0.04970  -0.01550
  44        2S          0.17082   0.00517   0.00977  -0.10692   0.04247
  45        3S          0.16589   0.02591   0.02279  -0.09975   0.04366
  46        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  47        4PY         0.02488  -0.15236  -0.14027   0.17213   0.19766
  48        4PZ        -0.11936  -0.15567   0.23569   0.07056   0.17600
  49        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  50        5PY         0.02433  -0.04972  -0.04066   0.06117   0.08772
  51        5PZ         0.01631  -0.04755   0.06078   0.02473   0.05640
  52        6D 0       -0.00159  -0.00014   0.00708   0.00070   0.01248
  53        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  54        6D-1       -0.01158  -0.00652   0.01045  -0.02080  -0.00362
  55        6D+2       -0.00749   0.00460   0.00615  -0.00369   0.00597
  56        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  57 5   N  1S          0.00000  -0.03237   0.00000   0.03845   0.00000
  58        2S          0.00000   0.07264   0.00000  -0.08422   0.00000
  59        3S          0.00000   0.10999   0.00000  -0.09489   0.00000
  60        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.23548   0.00000   0.28367   0.00000  -0.07876
  62        4PZ         0.00000   0.16913   0.00000   0.06161   0.00000
  63        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.10235   0.00000   0.13064   0.00000  -0.02210
  65        5PZ         0.00000   0.09424   0.00000   0.02277   0.00000
  66        6D 0        0.00000  -0.01706   0.00000  -0.01046   0.00000
  67        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  68        6D-1       -0.02009   0.00000  -0.01808   0.00000   0.01578
  69        6D+2        0.00000  -0.00487   0.00000  -0.00695   0.00000
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000  -0.03237   0.00000  -0.03845   0.00000
  72        2S          0.00000   0.07264   0.00000   0.08422   0.00000
  73        3S          0.00000   0.10999   0.00000   0.09489   0.00000
  74        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  75        4PY        -0.23548   0.00000   0.28367   0.00000  -0.07876
  76        4PZ         0.00000  -0.16913   0.00000   0.06161   0.00000
  77        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  78        5PY        -0.10235   0.00000   0.13064   0.00000  -0.02210
  79        5PZ         0.00000  -0.09424   0.00000   0.02277   0.00000
  80        6D 0        0.00000  -0.01706   0.00000   0.01046   0.00000
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  82        6D-1       -0.02009   0.00000   0.01808   0.00000  -0.01578
  83        6D+2        0.00000  -0.00487   0.00000   0.00695   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.11908   0.15735  -0.00926   0.21706   0.19386
  86        2S          0.03008   0.03691   0.00132   0.05960   0.06256
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  88        3PY        -0.01286  -0.01247  -0.00063  -0.01399  -0.01218
  89        3PZ        -0.00538  -0.00732   0.00435  -0.01165  -0.00479
  90 8   H  1S         -0.11908   0.15735   0.00926   0.21706  -0.19386
  91        2S         -0.03008   0.03691  -0.00132   0.05960  -0.06256
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY        -0.01286   0.01247  -0.00063   0.01399  -0.01218
  94        3PZ         0.00538  -0.00732  -0.00435  -0.01165   0.00479
  95 9   H  1S         -0.11908   0.15735  -0.00926  -0.21706   0.19386
  96        2S         -0.03008   0.03691   0.00132  -0.05960   0.06256
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  98        3PY         0.01286  -0.01247  -0.00063   0.01399  -0.01218
  99        3PZ        -0.00538   0.00732  -0.00435  -0.01165   0.00479
 100 10  H  1S          0.11908   0.15735   0.00926  -0.21706  -0.19386
 101        2S          0.03008   0.03691  -0.00132  -0.05960  -0.06256
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.01286   0.01247  -0.00063  -0.01399  -0.01218
 104        3PZ         0.00538   0.00732   0.00435  -0.01165  -0.00479
                          16        17        18        19        20
                       (B3U)--O  (B3G)--O  (B1U)--O  (B2G)--O   (AG)--O
     Eigenvalues --    -0.57240  -0.54851  -0.49872  -0.43268  -0.40920
   1 1   C  1S          0.00000   0.00858   0.03724   0.00000   0.00048
   2        2S          0.00000  -0.01062  -0.08547   0.00000  -0.00768
   3        3S          0.00000  -0.02734  -0.08003   0.00000   0.04802
   4        4PX         0.20756   0.00000   0.00000   0.15407   0.00000
   5        4PY         0.00000  -0.22900   0.07202   0.00000   0.03173
   6        4PZ         0.00000   0.00630  -0.01128   0.00000  -0.20879
   7        5PX         0.11757   0.00000   0.00000   0.12548   0.00000
   8        5PY         0.00000  -0.09272  -0.04178   0.00000  -0.02062
   9        5PZ         0.00000   0.00552   0.04016   0.00000  -0.06734
  10        6D 0        0.00000   0.00736   0.02120   0.00000   0.02410
  11        6D+1       -0.00582   0.00000   0.00000   0.01937   0.00000
  12        6D-1        0.00000  -0.03481  -0.00838   0.00000  -0.01076
  13        6D+2        0.00000   0.00090   0.01383   0.00000   0.01584
  14        6D-2       -0.01886   0.00000   0.00000  -0.02425   0.00000
  15 2   C  1S          0.00000  -0.00858   0.03724   0.00000   0.00048
  16        2S          0.00000   0.01062  -0.08547   0.00000  -0.00768
  17        3S          0.00000   0.02734  -0.08003   0.00000   0.04802
  18        4PX         0.20756   0.00000   0.00000   0.15407   0.00000
  19        4PY         0.00000  -0.22900  -0.07202   0.00000  -0.03173
  20        4PZ         0.00000  -0.00630  -0.01128   0.00000  -0.20879
  21        5PX         0.11757   0.00000   0.00000   0.12548   0.00000
  22        5PY         0.00000  -0.09272   0.04178   0.00000   0.02062
  23        5PZ         0.00000  -0.00552   0.04016   0.00000  -0.06734
  24        6D 0        0.00000  -0.00736   0.02120   0.00000   0.02410
  25        6D+1       -0.00582   0.00000   0.00000   0.01937   0.00000
  26        6D-1        0.00000  -0.03481   0.00838   0.00000   0.01076
  27        6D+2        0.00000  -0.00090   0.01383   0.00000   0.01584
  28        6D-2        0.01886   0.00000   0.00000   0.02425   0.00000
  29 3   C  1S          0.00000  -0.00858  -0.03724   0.00000   0.00048
  30        2S          0.00000   0.01062   0.08547   0.00000  -0.00768
  31        3S          0.00000   0.02734   0.08003   0.00000   0.04802
  32        4PX         0.20756   0.00000   0.00000  -0.15407   0.00000
  33        4PY         0.00000   0.22900  -0.07202   0.00000   0.03173
  34        4PZ         0.00000   0.00630  -0.01128   0.00000   0.20879
  35        5PX         0.11757   0.00000   0.00000  -0.12548   0.00000
  36        5PY         0.00000   0.09272   0.04178   0.00000  -0.02062
  37        5PZ         0.00000   0.00552   0.04016   0.00000   0.06734
  38        6D 0        0.00000  -0.00736  -0.02120   0.00000   0.02410
  39        6D+1        0.00582   0.00000   0.00000   0.01937   0.00000
  40        6D-1        0.00000  -0.03481  -0.00838   0.00000   0.01076
  41        6D+2        0.00000  -0.00090  -0.01383   0.00000   0.01584
  42        6D-2       -0.01886   0.00000   0.00000   0.02425   0.00000
  43 4   C  1S          0.00000   0.00858  -0.03724   0.00000   0.00048
  44        2S          0.00000  -0.01062   0.08547   0.00000  -0.00768
  45        3S          0.00000  -0.02734   0.08003   0.00000   0.04802
  46        4PX         0.20756   0.00000   0.00000  -0.15407   0.00000
  47        4PY         0.00000   0.22900   0.07202   0.00000  -0.03173
  48        4PZ         0.00000  -0.00630  -0.01128   0.00000   0.20879
  49        5PX         0.11757   0.00000   0.00000  -0.12548   0.00000
  50        5PY         0.00000   0.09272  -0.04178   0.00000   0.02062
  51        5PZ         0.00000  -0.00552   0.04016   0.00000   0.06734
  52        6D 0        0.00000   0.00736  -0.02120   0.00000   0.02410
  53        6D+1        0.00582   0.00000   0.00000   0.01937   0.00000
  54        6D-1        0.00000  -0.03481   0.00838   0.00000  -0.01076
  55        6D+2        0.00000   0.00090  -0.01383   0.00000   0.01584
  56        6D-2        0.01886   0.00000   0.00000  -0.02425   0.00000
  57 5   N  1S          0.00000   0.00000  -0.05439   0.00000  -0.04203
  58        2S          0.00000   0.00000   0.13315   0.00000   0.09728
  59        3S          0.00000   0.00000   0.14403   0.00000   0.15503
  60        4PX         0.24198   0.00000   0.00000   0.33597   0.00000
  61        4PY         0.00000   0.23810   0.00000   0.00000   0.00000
  62        4PZ         0.00000   0.00000   0.39075   0.00000   0.34129
  63        5PX         0.15758   0.00000   0.00000   0.25140   0.00000
  64        5PY         0.00000   0.11012   0.00000   0.00000   0.00000
  65        5PZ         0.00000   0.00000   0.29489   0.00000   0.29505
  66        6D 0        0.00000   0.00000  -0.01523   0.00000  -0.00664
  67        6D+1       -0.02102   0.00000   0.00000  -0.02238   0.00000
  68        6D-1        0.00000  -0.01964   0.00000   0.00000   0.00000
  69        6D+2        0.00000   0.00000   0.00637   0.00000   0.01099
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000   0.00000   0.05439   0.00000  -0.04203
  72        2S          0.00000   0.00000  -0.13315   0.00000   0.09728
  73        3S          0.00000   0.00000  -0.14403   0.00000   0.15503
  74        4PX         0.24198   0.00000   0.00000  -0.33597   0.00000
  75        4PY         0.00000  -0.23810   0.00000   0.00000   0.00000
  76        4PZ         0.00000   0.00000   0.39075   0.00000  -0.34129
  77        5PX         0.15758   0.00000   0.00000  -0.25140   0.00000
  78        5PY         0.00000  -0.11012   0.00000   0.00000   0.00000
  79        5PZ         0.00000   0.00000   0.29489   0.00000  -0.29505
  80        6D 0        0.00000   0.00000   0.01523   0.00000  -0.00664
  81        6D+1        0.02102   0.00000   0.00000  -0.02238   0.00000
  82        6D-1        0.00000  -0.01964   0.00000   0.00000   0.00000
  83        6D+2        0.00000   0.00000  -0.00637   0.00000   0.01099
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.00000  -0.19743  -0.02033   0.00000  -0.11380
  86        2S          0.00000  -0.08275   0.00910   0.00000  -0.05656
  87        3PX         0.00680   0.00000   0.00000   0.00515   0.00000
  88        3PY         0.00000   0.00777   0.00223   0.00000   0.00673
  89        3PZ         0.00000   0.00887  -0.00297   0.00000  -0.00397
  90 8   H  1S          0.00000   0.19743  -0.02033   0.00000  -0.11380
  91        2S          0.00000   0.08275   0.00910   0.00000  -0.05656
  92        3PX         0.00680   0.00000   0.00000   0.00515   0.00000
  93        3PY         0.00000   0.00777  -0.00223   0.00000  -0.00673
  94        3PZ         0.00000  -0.00887  -0.00297   0.00000  -0.00397
  95 9   H  1S          0.00000   0.19743   0.02033   0.00000  -0.11380
  96        2S          0.00000   0.08275  -0.00910   0.00000  -0.05656
  97        3PX         0.00680   0.00000   0.00000  -0.00515   0.00000
  98        3PY         0.00000  -0.00777  -0.00223   0.00000   0.00673
  99        3PZ         0.00000   0.00887  -0.00297   0.00000   0.00397
 100 10  H  1S          0.00000  -0.19743   0.02033   0.00000  -0.11380
 101        2S          0.00000  -0.08275  -0.00910   0.00000  -0.05656
 102        3PX         0.00680   0.00000   0.00000  -0.00515   0.00000
 103        3PY         0.00000  -0.00777   0.00223   0.00000  -0.00673
 104        3PZ         0.00000  -0.00887  -0.00297   0.00000   0.00397
                          21        22        23        24        25
                       (B1G)--O  (B3U)--V   (AU)--V   (AG)--V  (B2U)--V
     Eigenvalues --    -0.35778   0.09274   0.12167   0.19575   0.20894
   1 1   C  1S          0.00000   0.00000   0.00000   0.04315   0.02636
   2        2S          0.00000   0.00000   0.00000  -0.04543  -0.02484
   3        3S          0.00000   0.00000   0.00000  -0.76403  -0.80531
   4        4PX         0.28744  -0.16875   0.28626   0.00000   0.00000
   5        4PY         0.00000   0.00000   0.00000  -0.09066  -0.12819
   6        4PZ         0.00000   0.00000   0.00000  -0.08366  -0.06361
   7        5PX         0.22528  -0.23906   0.50604   0.00000   0.00000
   8        5PY         0.00000   0.00000   0.00000  -0.33962  -0.49429
   9        5PZ         0.00000   0.00000   0.00000  -0.26603  -0.37134
  10        6D 0        0.00000   0.00000   0.00000  -0.00437   0.00017
  11        6D+1       -0.01890   0.03157   0.02448   0.00000   0.00000
  12        6D-1        0.00000   0.00000   0.00000  -0.00054  -0.00290
  13        6D+2        0.00000   0.00000   0.00000   0.00611   0.00891
  14        6D-2       -0.00374  -0.02483  -0.00383   0.00000   0.00000
  15 2   C  1S          0.00000   0.00000   0.00000   0.04315  -0.02636
  16        2S          0.00000   0.00000   0.00000  -0.04543   0.02484
  17        3S          0.00000   0.00000   0.00000  -0.76403   0.80531
  18        4PX        -0.28744  -0.16875  -0.28626   0.00000   0.00000
  19        4PY         0.00000   0.00000   0.00000   0.09066  -0.12819
  20        4PZ         0.00000   0.00000   0.00000  -0.08366   0.06361
  21        5PX        -0.22528  -0.23906  -0.50604   0.00000   0.00000
  22        5PY         0.00000   0.00000   0.00000   0.33962  -0.49429
  23        5PZ         0.00000   0.00000   0.00000  -0.26603   0.37134
  24        6D 0        0.00000   0.00000   0.00000  -0.00437  -0.00017
  25        6D+1        0.01890   0.03157  -0.02448   0.00000   0.00000
  26        6D-1        0.00000   0.00000   0.00000   0.00054  -0.00290
  27        6D+2        0.00000   0.00000   0.00000   0.00611  -0.00891
  28        6D-2       -0.00374   0.02483  -0.00383   0.00000   0.00000
  29 3   C  1S          0.00000   0.00000   0.00000   0.04315   0.02636
  30        2S          0.00000   0.00000   0.00000  -0.04543  -0.02484
  31        3S          0.00000   0.00000   0.00000  -0.76403  -0.80531
  32        4PX         0.28744  -0.16875  -0.28626   0.00000   0.00000
  33        4PY         0.00000   0.00000   0.00000  -0.09066  -0.12819
  34        4PZ         0.00000   0.00000   0.00000   0.08366   0.06361
  35        5PX         0.22528  -0.23906  -0.50604   0.00000   0.00000
  36        5PY         0.00000   0.00000   0.00000  -0.33962  -0.49429
  37        5PZ         0.00000   0.00000   0.00000   0.26603   0.37134
  38        6D 0        0.00000   0.00000   0.00000  -0.00437   0.00017
  39        6D+1        0.01890  -0.03157   0.02448   0.00000   0.00000
  40        6D-1        0.00000   0.00000   0.00000   0.00054   0.00290
  41        6D+2        0.00000   0.00000   0.00000   0.00611   0.00891
  42        6D-2       -0.00374  -0.02483   0.00383   0.00000   0.00000
  43 4   C  1S          0.00000   0.00000   0.00000   0.04315  -0.02636
  44        2S          0.00000   0.00000   0.00000  -0.04543   0.02484
  45        3S          0.00000   0.00000   0.00000  -0.76403   0.80531
  46        4PX        -0.28744  -0.16875   0.28626   0.00000   0.00000
  47        4PY         0.00000   0.00000   0.00000   0.09066  -0.12819
  48        4PZ         0.00000   0.00000   0.00000   0.08366  -0.06361
  49        5PX        -0.22528  -0.23906   0.50604   0.00000   0.00000
  50        5PY         0.00000   0.00000   0.00000   0.33962  -0.49429
  51        5PZ         0.00000   0.00000   0.00000   0.26603  -0.37134
  52        6D 0        0.00000   0.00000   0.00000  -0.00437  -0.00017
  53        6D+1       -0.01890  -0.03157  -0.02448   0.00000   0.00000
  54        6D-1        0.00000   0.00000   0.00000  -0.00054   0.00290
  55        6D+2        0.00000   0.00000   0.00000   0.00611  -0.00891
  56        6D-2       -0.00374   0.02483   0.00383   0.00000   0.00000
  57 5   N  1S          0.00000   0.00000   0.00000   0.00093   0.00000
  58        2S          0.00000   0.00000   0.00000  -0.00241   0.00000
  59        3S          0.00000   0.00000   0.00000   0.00301   0.00000
  60        4PX         0.00000   0.33256   0.00000   0.00000   0.00000
  61        4PY         0.00000   0.00000   0.00000   0.00000  -0.00678
  62        4PZ         0.00000   0.00000   0.00000   0.02525   0.00000
  63        5PX         0.00000   0.46739   0.00000   0.00000   0.00000
  64        5PY         0.00000   0.00000   0.00000   0.00000   0.10722
  65        5PZ         0.00000   0.00000   0.00000   0.13007   0.00000
  66        6D 0        0.00000   0.00000   0.00000   0.00767   0.00000
  67        6D+1        0.00000  -0.00469   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.00000   0.00000   0.00000  -0.00517
  69        6D+2        0.00000   0.00000   0.00000   0.00949   0.00000
  70        6D-2        0.02310   0.00000   0.03020   0.00000   0.00000
  71 6   N  1S          0.00000   0.00000   0.00000   0.00093   0.00000
  72        2S          0.00000   0.00000   0.00000  -0.00241   0.00000
  73        3S          0.00000   0.00000   0.00000   0.00301   0.00000
  74        4PX         0.00000   0.33256   0.00000   0.00000   0.00000
  75        4PY         0.00000   0.00000   0.00000   0.00000  -0.00678
  76        4PZ         0.00000   0.00000   0.00000  -0.02525   0.00000
  77        5PX         0.00000   0.46739   0.00000   0.00000   0.00000
  78        5PY         0.00000   0.00000   0.00000   0.00000   0.10722
  79        5PZ         0.00000   0.00000   0.00000  -0.13007   0.00000
  80        6D 0        0.00000   0.00000   0.00000   0.00767   0.00000
  81        6D+1        0.00000   0.00469   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.00000   0.00000   0.00000   0.00517
  83        6D+2        0.00000   0.00000   0.00000   0.00949   0.00000
  84        6D-2        0.02310   0.00000  -0.03020   0.00000   0.00000
  85 7   H  1S          0.00000   0.00000   0.00000   0.01067   0.00762
  86        2S          0.00000   0.00000   0.00000   1.03144   1.17239
  87        3PX         0.01013  -0.00953   0.01501   0.00000   0.00000
  88        3PY         0.00000   0.00000   0.00000  -0.00991  -0.01573
  89        3PZ         0.00000   0.00000   0.00000  -0.00818  -0.00780
  90 8   H  1S          0.00000   0.00000   0.00000   0.01067  -0.00762
  91        2S          0.00000   0.00000   0.00000   1.03144  -1.17239
  92        3PX        -0.01013  -0.00953  -0.01501   0.00000   0.00000
  93        3PY         0.00000   0.00000   0.00000   0.00991  -0.01573
  94        3PZ         0.00000   0.00000   0.00000  -0.00818   0.00780
  95 9   H  1S          0.00000   0.00000   0.00000   0.01067   0.00762
  96        2S          0.00000   0.00000   0.00000   1.03144   1.17239
  97        3PX         0.01013  -0.00953  -0.01501   0.00000   0.00000
  98        3PY         0.00000   0.00000   0.00000  -0.00991  -0.01573
  99        3PZ         0.00000   0.00000   0.00000   0.00818   0.00780
 100 10  H  1S          0.00000   0.00000   0.00000   0.01067  -0.00762
 101        2S          0.00000   0.00000   0.00000   1.03144  -1.17239
 102        3PX        -0.01013  -0.00953   0.01501   0.00000   0.00000
 103        3PY         0.00000   0.00000   0.00000   0.00991  -0.01573
 104        3PZ         0.00000   0.00000   0.00000   0.00818  -0.00780
                          26        27        28        29        30
                       (B1U)--V  (B3G)--V  (B2G)--V   (AG)--V  (B2U)--V
     Eigenvalues --     0.24242   0.24715   0.33067   0.33207   0.43413
   1 1   C  1S          0.04277   0.04273   0.00000   0.02593  -0.02546
   2        2S         -0.06295  -0.08090   0.00000   0.00499   0.01533
   3        3S         -0.42365  -0.52631   0.00000  -0.83836   1.33963
   4        4PX         0.00000   0.00000   0.23327   0.00000   0.00000
   5        4PY        -0.08697  -0.08547   0.00000   0.06766  -0.05532
   6        4PZ        -0.05399  -0.02219   0.00000  -0.04294  -0.03472
   7        5PX         0.00000   0.00000   0.65394   0.00000   0.00000
   8        5PY        -0.83325  -1.05655   0.00000   0.55823  -0.75794
   9        5PZ        -0.44424  -0.25067   0.00000  -0.48204   0.84235
  10        6D 0        0.00416   0.01662   0.00000   0.00162   0.00650
  11        6D+1        0.00000   0.00000   0.00708   0.00000   0.00000
  12        6D-1       -0.01537  -0.01630   0.00000  -0.01211   0.02217
  13        6D+2       -0.00645  -0.00005   0.00000  -0.00509  -0.01362
  14        6D-2        0.00000   0.00000   0.02002   0.00000   0.00000
  15 2   C  1S          0.04277  -0.04273   0.00000   0.02593   0.02546
  16        2S         -0.06295   0.08090   0.00000   0.00499  -0.01533
  17        3S         -0.42365   0.52631   0.00000  -0.83836  -1.33963
  18        4PX         0.00000   0.00000   0.23327   0.00000   0.00000
  19        4PY         0.08697  -0.08547   0.00000  -0.06766  -0.05532
  20        4PZ        -0.05399   0.02219   0.00000  -0.04294   0.03472
  21        5PX         0.00000   0.00000   0.65394   0.00000   0.00000
  22        5PY         0.83325  -1.05655   0.00000  -0.55823  -0.75794
  23        5PZ        -0.44424   0.25067   0.00000  -0.48204  -0.84235
  24        6D 0        0.00416  -0.01662   0.00000   0.00162  -0.00650
  25        6D+1        0.00000   0.00000   0.00708   0.00000   0.00000
  26        6D-1        0.01537  -0.01630   0.00000   0.01211   0.02217
  27        6D+2       -0.00645   0.00005   0.00000  -0.00509   0.01362
  28        6D-2        0.00000   0.00000  -0.02002   0.00000   0.00000
  29 3   C  1S         -0.04277  -0.04273   0.00000   0.02593  -0.02546
  30        2S          0.06295   0.08090   0.00000   0.00499   0.01533
  31        3S          0.42365   0.52631   0.00000  -0.83836   1.33963
  32        4PX         0.00000   0.00000  -0.23327   0.00000   0.00000
  33        4PY         0.08697   0.08547   0.00000   0.06766  -0.05532
  34        4PZ        -0.05399  -0.02219   0.00000   0.04294   0.03472
  35        5PX         0.00000   0.00000  -0.65394   0.00000   0.00000
  36        5PY         0.83325   1.05655   0.00000   0.55823  -0.75794
  37        5PZ        -0.44424  -0.25067   0.00000   0.48204  -0.84235
  38        6D 0       -0.00416  -0.01662   0.00000   0.00162   0.00650
  39        6D+1        0.00000   0.00000   0.00708   0.00000   0.00000
  40        6D-1       -0.01537  -0.01630   0.00000   0.01211  -0.02217
  41        6D+2        0.00645   0.00005   0.00000  -0.00509  -0.01362
  42        6D-2        0.00000   0.00000  -0.02002   0.00000   0.00000
  43 4   C  1S         -0.04277   0.04273   0.00000   0.02593   0.02546
  44        2S          0.06295  -0.08090   0.00000   0.00499  -0.01533
  45        3S          0.42365  -0.52631   0.00000  -0.83836  -1.33963
  46        4PX         0.00000   0.00000  -0.23327   0.00000   0.00000
  47        4PY        -0.08697   0.08547   0.00000  -0.06766  -0.05532
  48        4PZ        -0.05399   0.02219   0.00000   0.04294  -0.03472
  49        5PX         0.00000   0.00000  -0.65394   0.00000   0.00000
  50        5PY        -0.83325   1.05655   0.00000  -0.55823  -0.75794
  51        5PZ        -0.44424   0.25067   0.00000   0.48204   0.84235
  52        6D 0       -0.00416   0.01662   0.00000   0.00162  -0.00650
  53        6D+1        0.00000   0.00000   0.00708   0.00000   0.00000
  54        6D-1        0.01537  -0.01630   0.00000  -0.01211  -0.02217
  55        6D+2        0.00645  -0.00005   0.00000  -0.00509   0.01362
  56        6D-2        0.00000   0.00000   0.02002   0.00000   0.00000
  57 5   N  1S          0.00098   0.00000   0.00000  -0.09575   0.00000
  58        2S          0.05466   0.00000   0.00000   0.08712   0.00000
  59        3S         -0.48121   0.00000   0.00000   1.74010   0.00000
  60        4PX         0.00000   0.00000  -0.27565   0.00000   0.00000
  61        4PY         0.00000   0.04690   0.00000   0.00000  -0.23481
  62        4PZ        -0.06000   0.00000   0.00000  -0.10231   0.00000
  63        5PX         0.00000   0.00000  -0.55014   0.00000   0.00000
  64        5PY         0.00000  -0.10109   0.00000   0.00000  -1.18704
  65        5PZ         0.17569   0.00000   0.00000  -0.49445   0.00000
  66        6D 0        0.00633   0.00000   0.00000   0.00538   0.00000
  67        6D+1        0.00000   0.00000   0.00154   0.00000   0.00000
  68        6D-1        0.00000   0.01203   0.00000   0.00000   0.02847
  69        6D+2        0.01077   0.00000   0.00000  -0.01726   0.00000
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S         -0.00098   0.00000   0.00000  -0.09575   0.00000
  72        2S         -0.05466   0.00000   0.00000   0.08712   0.00000
  73        3S          0.48121   0.00000   0.00000   1.74010   0.00000
  74        4PX         0.00000   0.00000   0.27565   0.00000   0.00000
  75        4PY         0.00000  -0.04690   0.00000   0.00000  -0.23481
  76        4PZ        -0.06000   0.00000   0.00000   0.10231   0.00000
  77        5PX         0.00000   0.00000   0.55014   0.00000   0.00000
  78        5PY         0.00000   0.10109   0.00000   0.00000  -1.18704
  79        5PZ         0.17569   0.00000   0.00000   0.49445   0.00000
  80        6D 0       -0.00633   0.00000   0.00000   0.00538   0.00000
  81        6D+1        0.00000   0.00000   0.00154   0.00000   0.00000
  82        6D-1        0.00000   0.01203   0.00000   0.00000  -0.02847
  83        6D+2       -0.01077   0.00000   0.00000  -0.01726   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.02410   0.01150   0.00000  -0.01225   0.09082
  86        2S          1.38063   1.43171   0.00000   0.02120  -0.03864
  87        3PX         0.00000   0.00000   0.02224   0.00000   0.00000
  88        3PY        -0.01034  -0.01184   0.00000   0.00279   0.00853
  89        3PZ        -0.00500  -0.00905   0.00000  -0.01685   0.02125
  90 8   H  1S          0.02410  -0.01150   0.00000  -0.01225  -0.09082
  91        2S          1.38063  -1.43171   0.00000   0.02120   0.03864
  92        3PX         0.00000   0.00000   0.02224   0.00000   0.00000
  93        3PY         0.01034  -0.01184   0.00000  -0.00279   0.00853
  94        3PZ        -0.00500   0.00905   0.00000  -0.01685  -0.02125
  95 9   H  1S         -0.02410  -0.01150   0.00000  -0.01225   0.09082
  96        2S         -1.38063  -1.43171   0.00000   0.02120  -0.03864
  97        3PX         0.00000   0.00000  -0.02224   0.00000   0.00000
  98        3PY         0.01034   0.01184   0.00000   0.00279   0.00853
  99        3PZ        -0.00500  -0.00905   0.00000   0.01685  -0.02125
 100 10  H  1S         -0.02410   0.01150   0.00000  -0.01225  -0.09082
 101        2S         -1.38063   1.43171   0.00000   0.02120   0.03864
 102        3PX         0.00000   0.00000  -0.02224   0.00000   0.00000
 103        3PY        -0.01034   0.01184   0.00000  -0.00279   0.00853
 104        3PZ        -0.00500   0.00905   0.00000   0.01685   0.02125
                          31        32        33        34        35
                       (B1U)--V  (B3G)--V  (B1U)--V  (B3G)--V   (AG)--V
     Eigenvalues --     0.45910   0.46370   0.57855   0.60784   0.63275
   1 1   C  1S          0.02334   0.06936  -0.08007   0.07100   0.02149
   2        2S         -0.02475  -0.07413  -0.05342  -0.07933   0.20768
   3        3S          0.13035  -2.21839   3.33607  -1.17234  -0.30963
   4        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
   5        4PY         0.05530   0.10240   0.11039   0.03206  -0.03881
   6        4PZ        -0.07922   0.10469  -0.24547   0.10208  -0.21442
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        5PY         1.22501   0.07848  -1.30689   2.05638   0.08736
   9        5PZ        -1.23916   2.50506  -1.94157  -1.31105   0.14702
  10        6D 0        0.02111  -0.00062  -0.03766   0.05512   0.03996
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.02400  -0.01539  -0.02136   0.03327   0.12156
  13        6D+2       -0.00026  -0.00175  -0.02187  -0.01366  -0.11828
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S          0.02334  -0.06936  -0.08007  -0.07100   0.02149
  16        2S         -0.02475   0.07413  -0.05342   0.07933   0.20768
  17        3S          0.13035   2.21839   3.33607   1.17234  -0.30963
  18        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  19        4PY        -0.05530   0.10240  -0.11039   0.03206   0.03881
  20        4PZ        -0.07922  -0.10469  -0.24547  -0.10208  -0.21442
  21        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  22        5PY        -1.22501   0.07848   1.30689   2.05638  -0.08736
  23        5PZ        -1.23916  -2.50506  -1.94157   1.31105   0.14702
  24        6D 0        0.02111   0.00062  -0.03766  -0.05512   0.03996
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  26        6D-1       -0.02400  -0.01539   0.02136   0.03327  -0.12156
  27        6D+2       -0.00026   0.00175  -0.02187   0.01366  -0.11828
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  29 3   C  1S         -0.02334  -0.06936   0.08007  -0.07100   0.02149
  30        2S          0.02475   0.07413   0.05342   0.07933   0.20768
  31        3S         -0.13035   2.21839  -3.33607   1.17234  -0.30963
  32        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  33        4PY        -0.05530  -0.10240  -0.11039  -0.03206  -0.03881
  34        4PZ        -0.07922   0.10469  -0.24547   0.10208   0.21442
  35        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  36        5PY        -1.22501  -0.07848   1.30689  -2.05638   0.08736
  37        5PZ        -1.23916   2.50506  -1.94157  -1.31105  -0.14702
  38        6D 0       -0.02111   0.00062   0.03766  -0.05512   0.03996
  39        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  40        6D-1        0.02400  -0.01539  -0.02136   0.03327  -0.12156
  41        6D+2        0.00026   0.00175   0.02187   0.01366  -0.11828
  42        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S         -0.02334   0.06936   0.08007   0.07100   0.02149
  44        2S          0.02475  -0.07413   0.05342  -0.07933   0.20768
  45        3S         -0.13035  -2.21839  -3.33607  -1.17234  -0.30963
  46        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  47        4PY         0.05530  -0.10240   0.11039  -0.03206   0.03881
  48        4PZ        -0.07922  -0.10469  -0.24547  -0.10208   0.21442
  49        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  50        5PY         1.22501  -0.07848  -1.30689  -2.05638  -0.08736
  51        5PZ        -1.23916  -2.50506  -1.94157   1.31105  -0.14702
  52        6D 0       -0.02111  -0.00062   0.03766   0.05512   0.03996
  53        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  54        6D-1       -0.02400  -0.01539   0.02136   0.03327   0.12156
  55        6D+2        0.00026  -0.00175   0.02187  -0.01366  -0.11828
  56        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  57 5   N  1S         -0.09979   0.00000   0.03099   0.00000  -0.02588
  58        2S          0.06621   0.00000   0.02954   0.00000   0.03622
  59        3S          2.51943   0.00000  -1.50799   0.00000   0.40612
  60        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000   0.02708   0.00000   0.26164   0.00000
  62        4PZ         0.03724   0.00000   0.08211   0.00000   0.08576
  63        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000  -0.44807   0.00000   1.77688   0.00000
  65        5PZ        -0.40067   0.00000   1.00078   0.00000  -0.21409
  66        6D 0        0.01183   0.00000  -0.00318   0.00000   0.03767
  67        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.05020   0.00000  -0.02561   0.00000
  69        6D+2       -0.01636   0.00000   0.06195   0.00000  -0.01627
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.09979   0.00000  -0.03099   0.00000  -0.02588
  72        2S         -0.06621   0.00000  -0.02954   0.00000   0.03622
  73        3S         -2.51943   0.00000   1.50799   0.00000   0.40612
  74        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000  -0.02708   0.00000  -0.26164   0.00000
  76        4PZ         0.03724   0.00000   0.08211   0.00000  -0.08576
  77        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000   0.44807   0.00000  -1.77688   0.00000
  79        5PZ        -0.40067   0.00000   1.00078   0.00000   0.21409
  80        6D 0       -0.01183   0.00000   0.00318   0.00000   0.03767
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.05020   0.00000  -0.02561   0.00000
  83        6D+2        0.01636   0.00000  -0.06195   0.00000  -0.01627
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.12038  -0.00474  -0.06942   0.18721   0.38432
  86        2S         -0.04711  -0.79765   0.73981  -0.33774  -0.26372
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  88        3PY         0.01218   0.00140   0.01152   0.01427   0.07389
  89        3PZ         0.00416  -0.00420  -0.03223   0.03526   0.05583
  90 8   H  1S          0.12038   0.00474  -0.06942  -0.18721   0.38432
  91        2S         -0.04711   0.79765   0.73981   0.33774  -0.26372
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY        -0.01218   0.00140  -0.01152   0.01427  -0.07389
  94        3PZ         0.00416   0.00420  -0.03223  -0.03526   0.05583
  95 9   H  1S         -0.12038   0.00474   0.06942  -0.18721   0.38432
  96        2S          0.04711   0.79765  -0.73981   0.33774  -0.26372
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  98        3PY        -0.01218  -0.00140  -0.01152  -0.01427   0.07389
  99        3PZ         0.00416  -0.00420  -0.03223   0.03526  -0.05583
 100 10  H  1S         -0.12038  -0.00474   0.06942   0.18721   0.38432
 101        2S          0.04711  -0.79765  -0.73981  -0.33774  -0.26372
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.01218  -0.00140   0.01152  -0.01427  -0.07389
 104        3PZ         0.00416   0.00420  -0.03223  -0.03526  -0.05583
                          36        37        38        39        40
                       (B2U)--V  (B3U)--V  (B2U)--V  (B1G)--V   (AG)--V
     Eigenvalues --     0.64085   0.65510   0.70075   0.70309   0.70971
   1 1   C  1S         -0.00032   0.00000  -0.04287   0.00000  -0.01369
   2        2S         -0.16523   0.00000  -0.26400   0.00000   0.46791
   3        3S          0.45057   0.00000   0.68336   0.00000  -0.33757
   4        4PX         0.00000   0.48755   0.00000  -0.47578   0.00000
   5        4PY         0.27750   0.00000  -0.01331   0.00000  -0.11090
   6        4PZ        -0.17823   0.00000   0.32429   0.00000  -0.14332
   7        5PX         0.00000  -0.44071   0.00000   0.50547   0.00000
   8        5PY        -0.36550   0.00000  -0.34958   0.00000   0.10848
   9        5PZ         0.46037   0.00000  -0.17992   0.00000   0.40377
  10        6D 0        0.03409   0.00000  -0.06457   0.00000   0.09070
  11        6D+1        0.00000  -0.05850   0.00000   0.07449   0.00000
  12        6D-1       -0.12992   0.00000  -0.03055   0.00000  -0.06842
  13        6D+2        0.01978   0.00000   0.10937   0.00000   0.05016
  14        6D-2        0.00000  -0.00667   0.00000   0.05598   0.00000
  15 2   C  1S          0.00032   0.00000   0.04287   0.00000  -0.01369
  16        2S          0.16523   0.00000   0.26400   0.00000   0.46791
  17        3S         -0.45057   0.00000  -0.68336   0.00000  -0.33757
  18        4PX         0.00000   0.48755   0.00000   0.47578   0.00000
  19        4PY         0.27750   0.00000  -0.01331   0.00000   0.11090
  20        4PZ         0.17823   0.00000  -0.32429   0.00000  -0.14332
  21        5PX         0.00000  -0.44071   0.00000  -0.50547   0.00000
  22        5PY        -0.36550   0.00000  -0.34958   0.00000  -0.10848
  23        5PZ        -0.46037   0.00000   0.17992   0.00000   0.40377
  24        6D 0       -0.03409   0.00000   0.06457   0.00000   0.09070
  25        6D+1        0.00000  -0.05850   0.00000  -0.07449   0.00000
  26        6D-1       -0.12992   0.00000  -0.03055   0.00000   0.06842
  27        6D+2       -0.01978   0.00000  -0.10937   0.00000   0.05016
  28        6D-2        0.00000   0.00667   0.00000   0.05598   0.00000
  29 3   C  1S         -0.00032   0.00000  -0.04287   0.00000  -0.01369
  30        2S         -0.16523   0.00000  -0.26400   0.00000   0.46791
  31        3S          0.45057   0.00000   0.68336   0.00000  -0.33757
  32        4PX         0.00000   0.48755   0.00000  -0.47578   0.00000
  33        4PY         0.27750   0.00000  -0.01331   0.00000  -0.11090
  34        4PZ         0.17823   0.00000  -0.32429   0.00000   0.14332
  35        5PX         0.00000  -0.44071   0.00000   0.50547   0.00000
  36        5PY        -0.36550   0.00000  -0.34958   0.00000   0.10848
  37        5PZ        -0.46037   0.00000   0.17992   0.00000  -0.40377
  38        6D 0        0.03409   0.00000  -0.06457   0.00000   0.09070
  39        6D+1        0.00000   0.05850   0.00000  -0.07449   0.00000
  40        6D-1        0.12992   0.00000   0.03055   0.00000   0.06842
  41        6D+2        0.01978   0.00000   0.10937   0.00000   0.05016
  42        6D-2        0.00000  -0.00667   0.00000   0.05598   0.00000
  43 4   C  1S          0.00032   0.00000   0.04287   0.00000  -0.01369
  44        2S          0.16523   0.00000   0.26400   0.00000   0.46791
  45        3S         -0.45057   0.00000  -0.68336   0.00000  -0.33757
  46        4PX         0.00000   0.48755   0.00000   0.47578   0.00000
  47        4PY         0.27750   0.00000  -0.01331   0.00000   0.11090
  48        4PZ        -0.17823   0.00000   0.32429   0.00000   0.14332
  49        5PX         0.00000  -0.44071   0.00000  -0.50547   0.00000
  50        5PY        -0.36550   0.00000  -0.34958   0.00000  -0.10848
  51        5PZ         0.46037   0.00000  -0.17992   0.00000  -0.40377
  52        6D 0       -0.03409   0.00000   0.06457   0.00000   0.09070
  53        6D+1        0.00000   0.05850   0.00000   0.07449   0.00000
  54        6D-1        0.12992   0.00000   0.03055   0.00000  -0.06842
  55        6D+2       -0.01978   0.00000  -0.10937   0.00000   0.05016
  56        6D-2        0.00000   0.00667   0.00000   0.05598   0.00000
  57 5   N  1S          0.00000   0.00000   0.00000   0.00000   0.00862
  58        2S          0.00000   0.00000   0.00000   0.00000   0.03414
  59        3S          0.00000   0.00000   0.00000   0.00000  -0.07316
  60        4PX         0.00000   0.05539   0.00000   0.00000   0.00000
  61        4PY         0.07888   0.00000  -0.19982   0.00000   0.00000
  62        4PZ         0.00000   0.00000   0.00000   0.00000  -0.11768
  63        5PX         0.00000   0.14546   0.00000   0.00000   0.00000
  64        5PY        -0.15572   0.00000  -0.45543   0.00000   0.00000
  65        5PZ         0.00000   0.00000   0.00000   0.00000  -0.23757
  66        6D 0        0.00000   0.00000   0.00000   0.00000  -0.01373
  67        6D+1        0.00000  -0.02911   0.00000   0.00000   0.00000
  68        6D-1        0.09121   0.00000  -0.01722   0.00000   0.00000
  69        6D+2        0.00000   0.00000   0.00000   0.00000  -0.04383
  70        6D-2        0.00000   0.00000   0.00000  -0.03849   0.00000
  71 6   N  1S          0.00000   0.00000   0.00000   0.00000   0.00862
  72        2S          0.00000   0.00000   0.00000   0.00000   0.03414
  73        3S          0.00000   0.00000   0.00000   0.00000  -0.07316
  74        4PX         0.00000   0.05539   0.00000   0.00000   0.00000
  75        4PY         0.07888   0.00000  -0.19982   0.00000   0.00000
  76        4PZ         0.00000   0.00000   0.00000   0.00000   0.11768
  77        5PX         0.00000   0.14546   0.00000   0.00000   0.00000
  78        5PY        -0.15572   0.00000  -0.45543   0.00000   0.00000
  79        5PZ         0.00000   0.00000   0.00000   0.00000   0.23757
  80        6D 0        0.00000   0.00000   0.00000   0.00000  -0.01373
  81        6D+1        0.00000   0.02911   0.00000   0.00000   0.00000
  82        6D-1       -0.09121   0.00000   0.01722   0.00000   0.00000
  83        6D+2        0.00000   0.00000   0.00000   0.00000  -0.04383
  84        6D-2        0.00000   0.00000   0.00000  -0.03849   0.00000
  85 7   H  1S         -0.31998   0.00000  -0.27595   0.00000  -0.24075
  86        2S          0.27769   0.00000   0.24597   0.00000   0.26035
  87        3PX         0.00000   0.02130   0.00000   0.00346   0.00000
  88        3PY        -0.05370   0.00000  -0.05770   0.00000  -0.05297
  89        3PZ        -0.02979   0.00000  -0.03146   0.00000  -0.00075
  90 8   H  1S          0.31998   0.00000   0.27595   0.00000  -0.24075
  91        2S         -0.27769   0.00000  -0.24597   0.00000   0.26035
  92        3PX         0.00000   0.02130   0.00000  -0.00346   0.00000
  93        3PY        -0.05370   0.00000  -0.05770   0.00000   0.05297
  94        3PZ         0.02979   0.00000   0.03146   0.00000  -0.00075
  95 9   H  1S         -0.31998   0.00000  -0.27595   0.00000  -0.24075
  96        2S          0.27769   0.00000   0.24597   0.00000   0.26035
  97        3PX         0.00000   0.02130   0.00000   0.00346   0.00000
  98        3PY        -0.05370   0.00000  -0.05770   0.00000  -0.05297
  99        3PZ         0.02979   0.00000   0.03146   0.00000   0.00075
 100 10  H  1S          0.31998   0.00000   0.27595   0.00000  -0.24075
 101        2S         -0.27769   0.00000  -0.24597   0.00000   0.26035
 102        3PX         0.00000   0.02130   0.00000  -0.00346   0.00000
 103        3PY        -0.05370   0.00000  -0.05770   0.00000   0.05297
 104        3PZ        -0.02979   0.00000  -0.03146   0.00000   0.00075
                          41        42        43        44        45
                       (B2G)--V   (AG)--V  (B1U)--V   (AU)--V  (B3G)--V
     Eigenvalues --     0.74989   0.77172   0.77838   0.80183   0.85822
   1 1   C  1S          0.00000  -0.02836   0.04010   0.00000   0.01831
   2        2S          0.00000   0.16868  -0.21282   0.00000  -0.00313
   3        3S          0.00000  -0.56024  -0.98943   0.00000  -0.79750
   4        4PX        -0.51465   0.00000   0.00000  -0.52351   0.00000
   5        4PY         0.00000  -0.26055   0.08687   0.00000  -0.46163
   6        4PZ         0.00000   0.23083  -0.25406   0.00000  -0.10741
   7        5PX         0.83137   0.00000   0.00000   0.92935   0.00000
   8        5PY         0.00000   0.40092  -0.03525   0.00000   1.10394
   9        5PZ         0.00000  -0.46690   1.53948   0.00000   1.51227
  10        6D 0        0.00000   0.06114  -0.15948   0.00000  -0.07345
  11        6D+1       -0.04775   0.00000   0.00000  -0.05051   0.00000
  12        6D-1        0.00000   0.14690   0.05999   0.00000   0.05562
  13        6D+2        0.00000   0.10926  -0.14861   0.00000  -0.04722
  14        6D-2        0.03046   0.00000   0.00000   0.03344   0.00000
  15 2   C  1S          0.00000  -0.02836   0.04010   0.00000  -0.01831
  16        2S          0.00000   0.16868  -0.21282   0.00000   0.00313
  17        3S          0.00000  -0.56024  -0.98943   0.00000   0.79750
  18        4PX        -0.51465   0.00000   0.00000   0.52351   0.00000
  19        4PY         0.00000   0.26055  -0.08687   0.00000  -0.46163
  20        4PZ         0.00000   0.23083  -0.25406   0.00000   0.10741
  21        5PX         0.83137   0.00000   0.00000  -0.92935   0.00000
  22        5PY         0.00000  -0.40092   0.03525   0.00000   1.10394
  23        5PZ         0.00000  -0.46690   1.53948   0.00000  -1.51227
  24        6D 0        0.00000   0.06114  -0.15948   0.00000   0.07345
  25        6D+1       -0.04775   0.00000   0.00000   0.05051   0.00000
  26        6D-1        0.00000  -0.14690  -0.05999   0.00000   0.05562
  27        6D+2        0.00000   0.10926  -0.14861   0.00000   0.04722
  28        6D-2       -0.03046   0.00000   0.00000   0.03344   0.00000
  29 3   C  1S          0.00000  -0.02836  -0.04010   0.00000  -0.01831
  30        2S          0.00000   0.16868   0.21282   0.00000   0.00313
  31        3S          0.00000  -0.56024   0.98943   0.00000   0.79750
  32        4PX         0.51465   0.00000   0.00000   0.52351   0.00000
  33        4PY         0.00000  -0.26055  -0.08687   0.00000   0.46163
  34        4PZ         0.00000  -0.23083  -0.25406   0.00000  -0.10741
  35        5PX        -0.83137   0.00000   0.00000  -0.92935   0.00000
  36        5PY         0.00000   0.40092   0.03525   0.00000  -1.10394
  37        5PZ         0.00000   0.46690   1.53948   0.00000   1.51227
  38        6D 0        0.00000   0.06114   0.15948   0.00000   0.07345
  39        6D+1       -0.04775   0.00000   0.00000  -0.05051   0.00000
  40        6D-1        0.00000  -0.14690   0.05999   0.00000   0.05562
  41        6D+2        0.00000   0.10926   0.14861   0.00000   0.04722
  42        6D-2       -0.03046   0.00000   0.00000  -0.03344   0.00000
  43 4   C  1S          0.00000  -0.02836  -0.04010   0.00000   0.01831
  44        2S          0.00000   0.16868   0.21282   0.00000  -0.00313
  45        3S          0.00000  -0.56024   0.98943   0.00000  -0.79750
  46        4PX         0.51465   0.00000   0.00000  -0.52351   0.00000
  47        4PY         0.00000   0.26055   0.08687   0.00000   0.46163
  48        4PZ         0.00000  -0.23083  -0.25406   0.00000   0.10741
  49        5PX        -0.83137   0.00000   0.00000   0.92935   0.00000
  50        5PY         0.00000  -0.40092  -0.03525   0.00000  -1.10394
  51        5PZ         0.00000   0.46690   1.53948   0.00000  -1.51227
  52        6D 0        0.00000   0.06114   0.15948   0.00000  -0.07345
  53        6D+1       -0.04775   0.00000   0.00000   0.05051   0.00000
  54        6D-1        0.00000   0.14690  -0.05999   0.00000   0.05562
  55        6D+2        0.00000   0.10926   0.14861   0.00000  -0.04722
  56        6D-2        0.03046   0.00000   0.00000  -0.03344   0.00000
  57 5   N  1S          0.00000   0.01848  -0.01776   0.00000   0.00000
  58        2S          0.00000  -0.19793   0.08652   0.00000   0.00000
  59        3S          0.00000   1.13034  -0.58022   0.00000   0.00000
  60        4PX        -0.07802   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000   0.00000   0.00000   0.00000  -0.08595
  62        4PZ         0.00000   0.39590  -0.24872   0.00000   0.00000
  63        5PX        -0.15638   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000   0.00000   0.00000   0.00000  -0.46324
  65        5PZ         0.00000  -0.32831  -0.01450   0.00000   0.00000
  66        6D 0        0.00000  -0.01313   0.03447   0.00000   0.00000
  67        6D+1        0.05328   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.00000   0.00000   0.00000  -0.06283
  69        6D+2        0.00000  -0.12083   0.07638   0.00000   0.00000
  70        6D-2        0.00000   0.00000   0.00000  -0.04175   0.00000
  71 6   N  1S          0.00000   0.01848   0.01776   0.00000   0.00000
  72        2S          0.00000  -0.19793  -0.08652   0.00000   0.00000
  73        3S          0.00000   1.13034   0.58022   0.00000   0.00000
  74        4PX         0.07802   0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000   0.00000   0.00000   0.00000   0.08595
  76        4PZ         0.00000  -0.39590  -0.24872   0.00000   0.00000
  77        5PX         0.15638   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000   0.00000   0.00000   0.00000   0.46324
  79        5PZ         0.00000   0.32831  -0.01450   0.00000   0.00000
  80        6D 0        0.00000  -0.01313  -0.03447   0.00000   0.00000
  81        6D+1        0.05328   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.00000   0.00000   0.00000  -0.06283
  83        6D+2        0.00000  -0.12083  -0.07638   0.00000   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.04175   0.00000
  85 7   H  1S          0.00000  -0.00108   0.24135   0.00000   0.19007
  86        2S          0.00000   0.00447  -0.82074   0.00000  -1.20124
  87        3PX        -0.01762   0.00000   0.00000   0.00454   0.00000
  88        3PY         0.00000  -0.00375   0.09914   0.00000   0.10708
  89        3PZ         0.00000   0.00843   0.02977   0.00000   0.08909
  90 8   H  1S          0.00000  -0.00108   0.24135   0.00000  -0.19007
  91        2S          0.00000   0.00447  -0.82074   0.00000   1.20124
  92        3PX        -0.01762   0.00000   0.00000  -0.00454   0.00000
  93        3PY         0.00000   0.00375  -0.09914   0.00000   0.10708
  94        3PZ         0.00000   0.00843   0.02977   0.00000  -0.08909
  95 9   H  1S          0.00000  -0.00108  -0.24135   0.00000  -0.19007
  96        2S          0.00000   0.00447   0.82074   0.00000   1.20124
  97        3PX         0.01762   0.00000   0.00000  -0.00454   0.00000
  98        3PY         0.00000  -0.00375  -0.09914   0.00000  -0.10708
  99        3PZ         0.00000  -0.00843   0.02977   0.00000   0.08909
 100 10  H  1S          0.00000  -0.00108  -0.24135   0.00000   0.19007
 101        2S          0.00000   0.00447   0.82074   0.00000  -1.20124
 102        3PX         0.01762   0.00000   0.00000   0.00454   0.00000
 103        3PY         0.00000   0.00375   0.09914   0.00000  -0.10708
 104        3PZ         0.00000  -0.00843   0.02977   0.00000  -0.08909
                          46        47        48        49        50
                       (B2U)--V  (B3G)--V  (B1U)--V   (AG)--V  (B3U)--V
     Eigenvalues --     0.91124   0.93816   0.95385   0.97819   1.07219
   1 1   C  1S          0.00926  -0.00039  -0.03139  -0.01245   0.00000
   2        2S         -0.54782  -0.05550   0.17407  -0.43342   0.00000
   3        3S          1.35126  -1.01657  -0.50665   1.43024   0.00000
   4        4PX         0.00000   0.00000   0.00000   0.00000   0.05313
   5        4PY        -0.27166   0.11374  -0.46544  -0.37284   0.00000
   6        4PZ        -0.18608  -0.49060  -0.23078  -0.11746   0.00000
   7        5PX         0.00000   0.00000   0.00000   0.00000  -0.00251
   8        5PY         1.00691   1.16331   1.42010   0.68006   0.00000
   9        5PZ         0.74889   0.68615   0.71958   0.47109   0.00000
  10        6D 0       -0.03914  -0.15482  -0.09048  -0.05692   0.00000
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.20309
  12        6D-1        0.08795  -0.05016   0.09046   0.10065   0.00000
  13        6D+2       -0.00912  -0.01164   0.02045  -0.08966   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.28910
  15 2   C  1S         -0.00926   0.00039  -0.03139  -0.01245   0.00000
  16        2S          0.54782   0.05550   0.17407  -0.43342   0.00000
  17        3S         -1.35126   1.01657  -0.50665   1.43024   0.00000
  18        4PX         0.00000   0.00000   0.00000   0.00000   0.05313
  19        4PY        -0.27166   0.11374   0.46544   0.37284   0.00000
  20        4PZ         0.18608   0.49060  -0.23078  -0.11746   0.00000
  21        5PX         0.00000   0.00000   0.00000   0.00000  -0.00251
  22        5PY         1.00691   1.16331  -1.42010  -0.68006   0.00000
  23        5PZ        -0.74889  -0.68615   0.71958   0.47109   0.00000
  24        6D 0        0.03914   0.15482  -0.09048  -0.05692   0.00000
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.20309
  26        6D-1        0.08795  -0.05016  -0.09046  -0.10065   0.00000
  27        6D+2        0.00912   0.01164   0.02045  -0.08966   0.00000
  28        6D-2        0.00000   0.00000   0.00000   0.00000  -0.28910
  29 3   C  1S          0.00926   0.00039   0.03139  -0.01245   0.00000
  30        2S         -0.54782   0.05550  -0.17407  -0.43342   0.00000
  31        3S          1.35126   1.01657   0.50665   1.43024   0.00000
  32        4PX         0.00000   0.00000   0.00000   0.00000   0.05313
  33        4PY        -0.27166  -0.11374   0.46544  -0.37284   0.00000
  34        4PZ         0.18608  -0.49060  -0.23078   0.11746   0.00000
  35        5PX         0.00000   0.00000   0.00000   0.00000  -0.00251
  36        5PY         1.00691  -1.16331  -1.42010   0.68006   0.00000
  37        5PZ        -0.74889   0.68615   0.71958  -0.47109   0.00000
  38        6D 0       -0.03914   0.15482   0.09048  -0.05692   0.00000
  39        6D+1        0.00000   0.00000   0.00000   0.00000  -0.20309
  40        6D-1       -0.08795  -0.05016   0.09046  -0.10065   0.00000
  41        6D+2       -0.00912   0.01164  -0.02045  -0.08966   0.00000
  42        6D-2        0.00000   0.00000   0.00000   0.00000   0.28910
  43 4   C  1S         -0.00926  -0.00039   0.03139  -0.01245   0.00000
  44        2S          0.54782  -0.05550  -0.17407  -0.43342   0.00000
  45        3S         -1.35126  -1.01657   0.50665   1.43024   0.00000
  46        4PX         0.00000   0.00000   0.00000   0.00000   0.05313
  47        4PY        -0.27166  -0.11374  -0.46544   0.37284   0.00000
  48        4PZ        -0.18608   0.49060  -0.23078   0.11746   0.00000
  49        5PX         0.00000   0.00000   0.00000   0.00000  -0.00251
  50        5PY         1.00691  -1.16331   1.42010  -0.68006   0.00000
  51        5PZ         0.74889  -0.68615   0.71958  -0.47109   0.00000
  52        6D 0        0.03914  -0.15482   0.09048  -0.05692   0.00000
  53        6D+1        0.00000   0.00000   0.00000   0.00000  -0.20309
  54        6D-1       -0.08795  -0.05016  -0.09046   0.10065   0.00000
  55        6D+2        0.00912  -0.01164  -0.02045  -0.08966   0.00000
  56        6D-2        0.00000   0.00000   0.00000   0.00000  -0.28910
  57 5   N  1S          0.00000   0.00000   0.02874   0.01861   0.00000
  58        2S          0.00000   0.00000  -0.23753  -0.09029   0.00000
  59        3S          0.00000   0.00000   1.10359  -0.15501   0.00000
  60        4PX         0.00000   0.00000   0.00000   0.00000   0.18560
  61        4PY        -0.00374   0.23456   0.00000   0.00000   0.00000
  62        4PZ         0.00000   0.00000   0.23046  -0.17719   0.00000
  63        5PX         0.00000   0.00000   0.00000   0.00000  -0.06857
  64        5PY        -0.10369   0.62730   0.00000   0.00000   0.00000
  65        5PZ         0.00000   0.00000  -0.26687   0.19184   0.00000
  66        6D 0        0.00000   0.00000   0.05907   0.01927   0.00000
  67        6D+1        0.00000   0.00000   0.00000   0.00000   0.07568
  68        6D-1        0.00849   0.05165   0.00000   0.00000   0.00000
  69        6D+2        0.00000   0.00000  -0.06909  -0.00895   0.00000
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000   0.00000  -0.02874   0.01861   0.00000
  72        2S          0.00000   0.00000   0.23753  -0.09029   0.00000
  73        3S          0.00000   0.00000  -1.10359  -0.15501   0.00000
  74        4PX         0.00000   0.00000   0.00000   0.00000   0.18560
  75        4PY        -0.00374  -0.23456   0.00000   0.00000   0.00000
  76        4PZ         0.00000   0.00000   0.23046   0.17719   0.00000
  77        5PX         0.00000   0.00000   0.00000   0.00000  -0.06857
  78        5PY        -0.10369  -0.62730   0.00000   0.00000   0.00000
  79        5PZ         0.00000   0.00000  -0.26687  -0.19184   0.00000
  80        6D 0        0.00000   0.00000  -0.05907   0.01927   0.00000
  81        6D+1        0.00000   0.00000   0.00000   0.00000  -0.07568
  82        6D-1       -0.00849   0.05165   0.00000   0.00000   0.00000
  83        6D+2        0.00000   0.00000   0.06909  -0.00895   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S         -0.16667  -0.13689  -0.07329  -0.15304   0.00000
  86        2S         -1.14470  -0.59280  -0.85541  -0.95417   0.00000
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.14606
  88        3PY         0.12371   0.05333   0.07443   0.13302   0.00000
  89        3PZ         0.05012  -0.05858   0.06557   0.06731   0.00000
  90 8   H  1S          0.16667   0.13689  -0.07329  -0.15304   0.00000
  91        2S          1.14470   0.59280  -0.85541  -0.95417   0.00000
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.14606
  93        3PY         0.12371   0.05333  -0.07443  -0.13302   0.00000
  94        3PZ        -0.05012   0.05858   0.06557   0.06731   0.00000
  95 9   H  1S         -0.16667   0.13689   0.07329  -0.15304   0.00000
  96        2S         -1.14470   0.59280   0.85541  -0.95417   0.00000
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.14606
  98        3PY         0.12371  -0.05333  -0.07443   0.13302   0.00000
  99        3PZ        -0.05012  -0.05858   0.06557  -0.06731   0.00000
 100 10  H  1S          0.16667  -0.13689   0.07329  -0.15304   0.00000
 101        2S          1.14470  -0.59280   0.85541  -0.95417   0.00000
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.14606
 103        3PY         0.12371  -0.05333   0.07443  -0.13302   0.00000
 104        3PZ         0.05012   0.05858   0.06557  -0.06731   0.00000
                          51        52        53        54        55
                       (B1U)--V   (AG)--V  (B3U)--V  (B1U)--V  (B2U)--V
     Eigenvalues --     1.07381   1.07693   1.10380   1.10956   1.14433
   1 1   C  1S         -0.01005   0.00189   0.00000  -0.01713  -0.00439
   2        2S         -0.65779   0.39460   0.00000  -0.37972   0.38163
   3        3S          0.89979  -0.47779   0.00000   4.45496  -1.58400
   4        4PX         0.00000   0.00000   0.05414   0.00000   0.00000
   5        4PY         0.04072  -0.07681   0.00000  -0.20494  -0.09671
   6        4PZ        -0.10401   0.21925   0.00000   0.29155  -0.02635
   7        5PX         0.00000   0.00000  -0.27334   0.00000   0.00000
   8        5PY         0.37640  -0.35454   0.00000  -1.75607   1.14956
   9        5PZ         0.31072  -0.63807   0.00000  -2.74077  -0.33486
  10        6D 0        0.09659  -0.04134   0.00000   0.14445   0.09028
  11        6D+1        0.00000   0.00000   0.00570   0.00000   0.00000
  12        6D-1       -0.03418   0.02900   0.00000   0.09380   0.18773
  13        6D+2        0.12874  -0.16677   0.00000  -0.09490   0.06168
  14        6D-2        0.00000   0.00000   0.11289   0.00000   0.00000
  15 2   C  1S         -0.01005   0.00189   0.00000  -0.01713   0.00439
  16        2S         -0.65779   0.39460   0.00000  -0.37972  -0.38163
  17        3S          0.89979  -0.47779   0.00000   4.45496   1.58400
  18        4PX         0.00000   0.00000   0.05414   0.00000   0.00000
  19        4PY        -0.04072   0.07681   0.00000   0.20494  -0.09671
  20        4PZ        -0.10401   0.21925   0.00000   0.29155   0.02635
  21        5PX         0.00000   0.00000  -0.27334   0.00000   0.00000
  22        5PY        -0.37640   0.35454   0.00000   1.75607   1.14956
  23        5PZ         0.31072  -0.63807   0.00000  -2.74077   0.33486
  24        6D 0        0.09659  -0.04134   0.00000   0.14445  -0.09028
  25        6D+1        0.00000   0.00000   0.00570   0.00000   0.00000
  26        6D-1        0.03418  -0.02900   0.00000  -0.09380   0.18773
  27        6D+2        0.12874  -0.16677   0.00000  -0.09490  -0.06168
  28        6D-2        0.00000   0.00000  -0.11289   0.00000   0.00000
  29 3   C  1S          0.01005   0.00189   0.00000   0.01713  -0.00439
  30        2S          0.65779   0.39460   0.00000   0.37972   0.38163
  31        3S         -0.89979  -0.47779   0.00000  -4.45496  -1.58400
  32        4PX         0.00000   0.00000   0.05414   0.00000   0.00000
  33        4PY        -0.04072  -0.07681   0.00000   0.20494  -0.09671
  34        4PZ        -0.10401  -0.21925   0.00000   0.29155   0.02635
  35        5PX         0.00000   0.00000  -0.27334   0.00000   0.00000
  36        5PY        -0.37640  -0.35454   0.00000   1.75607   1.14956
  37        5PZ         0.31072   0.63807   0.00000  -2.74077   0.33486
  38        6D 0       -0.09659  -0.04134   0.00000  -0.14445   0.09028
  39        6D+1        0.00000   0.00000  -0.00570   0.00000   0.00000
  40        6D-1       -0.03418  -0.02900   0.00000   0.09380  -0.18773
  41        6D+2       -0.12874  -0.16677   0.00000   0.09490   0.06168
  42        6D-2        0.00000   0.00000   0.11289   0.00000   0.00000
  43 4   C  1S          0.01005   0.00189   0.00000   0.01713   0.00439
  44        2S          0.65779   0.39460   0.00000   0.37972  -0.38163
  45        3S         -0.89979  -0.47779   0.00000  -4.45496   1.58400
  46        4PX         0.00000   0.00000   0.05414   0.00000   0.00000
  47        4PY         0.04072   0.07681   0.00000  -0.20494  -0.09671
  48        4PZ        -0.10401  -0.21925   0.00000   0.29155  -0.02635
  49        5PX         0.00000   0.00000  -0.27334   0.00000   0.00000
  50        5PY         0.37640   0.35454   0.00000  -1.75607   1.14956
  51        5PZ         0.31072   0.63807   0.00000  -2.74077  -0.33486
  52        6D 0       -0.09659  -0.04134   0.00000  -0.14445  -0.09028
  53        6D+1        0.00000   0.00000  -0.00570   0.00000   0.00000
  54        6D-1        0.03418   0.02900   0.00000  -0.09380  -0.18773
  55        6D+2       -0.12874  -0.16677   0.00000   0.09490  -0.06168
  56        6D-2        0.00000   0.00000  -0.11289   0.00000   0.00000
  57 5   N  1S         -0.02682   0.04399   0.00000   0.05982   0.00000
  58        2S          0.08806  -0.19680   0.00000  -0.12076   0.00000
  59        3S         -0.04860  -0.11910   0.00000  -1.85359   0.00000
  60        4PX         0.00000   0.00000  -0.69813   0.00000   0.00000
  61        4PY         0.00000   0.00000   0.00000   0.00000  -0.49506
  62        4PZ         0.35050  -0.37075   0.00000  -0.02496   0.00000
  63        5PX         0.00000   0.00000   1.03015   0.00000   0.00000
  64        5PY         0.00000   0.00000   0.00000   0.00000   1.70068
  65        5PZ        -0.88898   1.24755   0.00000   1.51297   0.00000
  66        6D 0       -0.06232   0.05368   0.00000  -0.02628   0.00000
  67        6D+1        0.00000   0.00000   0.05768   0.00000   0.00000
  68        6D-1        0.00000   0.00000   0.00000   0.00000  -0.06272
  69        6D+2        0.08180  -0.05688   0.00000   0.01872   0.00000
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.02682   0.04399   0.00000  -0.05982   0.00000
  72        2S         -0.08806  -0.19680   0.00000   0.12076   0.00000
  73        3S          0.04860  -0.11910   0.00000   1.85359   0.00000
  74        4PX         0.00000   0.00000  -0.69813   0.00000   0.00000
  75        4PY         0.00000   0.00000   0.00000   0.00000  -0.49506
  76        4PZ         0.35050   0.37075   0.00000  -0.02496   0.00000
  77        5PX         0.00000   0.00000   1.03015   0.00000   0.00000
  78        5PY         0.00000   0.00000   0.00000   0.00000   1.70068
  79        5PZ        -0.88898  -1.24755   0.00000   1.51297   0.00000
  80        6D 0        0.06232   0.05368   0.00000   0.02628   0.00000
  81        6D+1        0.00000   0.00000  -0.05768   0.00000   0.00000
  82        6D-1        0.00000   0.00000   0.00000   0.00000   0.06272
  83        6D+2       -0.08180  -0.05688   0.00000  -0.01872   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S         -0.02025   0.03467   0.00000   0.43446  -0.26218
  86        2S         -0.48285   0.36112   0.00000   0.60206  -0.17887
  87        3PX         0.00000   0.00000   0.00349   0.00000   0.00000
  88        3PY         0.04149  -0.02066   0.00000   0.11115  -0.07560
  89        3PZ         0.02054  -0.01964   0.00000   0.07231   0.01225
  90 8   H  1S         -0.02025   0.03467   0.00000   0.43446   0.26218
  91        2S         -0.48285   0.36112   0.00000   0.60206   0.17887
  92        3PX         0.00000   0.00000   0.00349   0.00000   0.00000
  93        3PY        -0.04149   0.02066   0.00000  -0.11115  -0.07560
  94        3PZ         0.02054  -0.01964   0.00000   0.07231  -0.01225
  95 9   H  1S          0.02025   0.03467   0.00000  -0.43446  -0.26218
  96        2S          0.48285   0.36112   0.00000  -0.60206  -0.17887
  97        3PX         0.00000   0.00000   0.00349   0.00000   0.00000
  98        3PY        -0.04149  -0.02066   0.00000  -0.11115  -0.07560
  99        3PZ         0.02054   0.01964   0.00000   0.07231  -0.01225
 100 10  H  1S          0.02025   0.03467   0.00000  -0.43446   0.26218
 101        2S          0.48285   0.36112   0.00000  -0.60206   0.17887
 102        3PX         0.00000   0.00000   0.00349   0.00000   0.00000
 103        3PY         0.04149   0.02066   0.00000   0.11115  -0.07560
 104        3PZ         0.02054   0.01964   0.00000   0.07231   0.01225
                          56        57        58        59        60
                       (B2G)--V  (B3G)--V  (B1G)--V  (B1G)--V  (B1U)--V
     Eigenvalues --     1.16680   1.18292   1.19304   1.25759   1.27572
   1 1   C  1S          0.00000  -0.02939   0.00000   0.00000  -0.02045
   2        2S          0.00000  -0.81296   0.00000   0.00000  -0.58964
   3        3S          0.00000   3.49384   0.00000   0.00000   3.30399
   4        4PX         0.10538   0.00000   0.11193   0.11400   0.00000
   5        4PY         0.00000  -0.09872   0.00000   0.00000  -0.12472
   6        4PZ         0.00000   0.11837   0.00000   0.00000   0.09115
   7        5PX        -0.61145   0.00000  -0.05146  -0.18599   0.00000
   8        5PY         0.00000   1.09549   0.00000   0.00000   1.14416
   9        5PZ         0.00000  -1.08183   0.00000   0.00000  -1.18619
  10        6D 0        0.00000   0.13464   0.00000   0.00000   0.02847
  11        6D+1       -0.05171   0.00000   0.36735   0.02254   0.00000
  12        6D-1        0.00000  -0.04464   0.00000   0.00000  -0.07663
  13        6D+2        0.00000   0.08628   0.00000   0.00000  -0.02284
  14        6D-2        0.06191   0.00000  -0.09143   0.36523   0.00000
  15 2   C  1S          0.00000   0.02939   0.00000   0.00000  -0.02045
  16        2S          0.00000   0.81296   0.00000   0.00000  -0.58964
  17        3S          0.00000  -3.49384   0.00000   0.00000   3.30399
  18        4PX         0.10538   0.00000  -0.11193  -0.11400   0.00000
  19        4PY         0.00000  -0.09872   0.00000   0.00000   0.12472
  20        4PZ         0.00000  -0.11837   0.00000   0.00000   0.09115
  21        5PX        -0.61145   0.00000   0.05146   0.18599   0.00000
  22        5PY         0.00000   1.09549   0.00000   0.00000  -1.14416
  23        5PZ         0.00000   1.08183   0.00000   0.00000  -1.18619
  24        6D 0        0.00000  -0.13464   0.00000   0.00000   0.02847
  25        6D+1       -0.05171   0.00000  -0.36735  -0.02254   0.00000
  26        6D-1        0.00000  -0.04464   0.00000   0.00000   0.07663
  27        6D+2        0.00000  -0.08628   0.00000   0.00000  -0.02284
  28        6D-2       -0.06191   0.00000  -0.09143   0.36523   0.00000
  29 3   C  1S          0.00000   0.02939   0.00000   0.00000   0.02045
  30        2S          0.00000   0.81296   0.00000   0.00000   0.58964
  31        3S          0.00000  -3.49384   0.00000   0.00000  -3.30399
  32        4PX        -0.10538   0.00000   0.11193   0.11400   0.00000
  33        4PY         0.00000   0.09872   0.00000   0.00000   0.12472
  34        4PZ         0.00000   0.11837   0.00000   0.00000   0.09115
  35        5PX         0.61145   0.00000  -0.05146  -0.18599   0.00000
  36        5PY         0.00000  -1.09549   0.00000   0.00000  -1.14416
  37        5PZ         0.00000  -1.08183   0.00000   0.00000  -1.18619
  38        6D 0        0.00000  -0.13464   0.00000   0.00000  -0.02847
  39        6D+1       -0.05171   0.00000  -0.36735  -0.02254   0.00000
  40        6D-1        0.00000  -0.04464   0.00000   0.00000  -0.07663
  41        6D+2        0.00000  -0.08628   0.00000   0.00000   0.02284
  42        6D-2       -0.06191   0.00000  -0.09143   0.36523   0.00000
  43 4   C  1S          0.00000  -0.02939   0.00000   0.00000   0.02045
  44        2S          0.00000  -0.81296   0.00000   0.00000   0.58964
  45        3S          0.00000   3.49384   0.00000   0.00000  -3.30399
  46        4PX        -0.10538   0.00000  -0.11193  -0.11400   0.00000
  47        4PY         0.00000   0.09872   0.00000   0.00000  -0.12472
  48        4PZ         0.00000  -0.11837   0.00000   0.00000   0.09115
  49        5PX         0.61145   0.00000   0.05146   0.18599   0.00000
  50        5PY         0.00000  -1.09549   0.00000   0.00000   1.14416
  51        5PZ         0.00000   1.08183   0.00000   0.00000  -1.18619
  52        6D 0        0.00000   0.13464   0.00000   0.00000  -0.02847
  53        6D+1       -0.05171   0.00000   0.36735   0.02254   0.00000
  54        6D-1        0.00000  -0.04464   0.00000   0.00000   0.07663
  55        6D+2        0.00000   0.08628   0.00000   0.00000   0.02284
  56        6D-2        0.06191   0.00000  -0.09143   0.36523   0.00000
  57 5   N  1S          0.00000   0.00000   0.00000   0.00000   0.00356
  58        2S          0.00000   0.00000   0.00000   0.00000   0.00912
  59        3S          0.00000   0.00000   0.00000   0.00000   0.26848
  60        4PX        -0.70186   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000   0.02987   0.00000   0.00000   0.00000
  62        4PZ         0.00000   0.00000   0.00000   0.00000  -0.42817
  63        5PX         1.17732   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000  -0.26574   0.00000   0.00000   0.00000
  65        5PZ         0.00000   0.00000   0.00000   0.00000   0.80206
  66        6D 0        0.00000   0.00000   0.00000   0.00000  -0.00878
  67        6D+1        0.03002   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.04212   0.00000   0.00000   0.00000
  69        6D+2        0.00000   0.00000   0.00000   0.00000   0.00580
  70        6D-2        0.00000   0.00000   0.13183  -0.05866   0.00000
  71 6   N  1S          0.00000   0.00000   0.00000   0.00000  -0.00356
  72        2S          0.00000   0.00000   0.00000   0.00000  -0.00912
  73        3S          0.00000   0.00000   0.00000   0.00000  -0.26848
  74        4PX         0.70186   0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000  -0.02987   0.00000   0.00000   0.00000
  76        4PZ         0.00000   0.00000   0.00000   0.00000  -0.42817
  77        5PX        -1.17732   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000   0.26574   0.00000   0.00000   0.00000
  79        5PZ         0.00000   0.00000   0.00000   0.00000   0.80206
  80        6D 0        0.00000   0.00000   0.00000   0.00000   0.00878
  81        6D+1        0.03002   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.04212   0.00000   0.00000   0.00000
  83        6D+2        0.00000   0.00000   0.00000   0.00000  -0.00580
  84        6D-2        0.00000   0.00000   0.13183  -0.05866   0.00000
  85 7   H  1S          0.00000  -0.43458   0.00000   0.00000  -0.46686
  86        2S          0.00000  -0.53184   0.00000   0.00000  -0.50344
  87        3PX        -0.08328   0.00000   0.08470   0.19774   0.00000
  88        3PY         0.00000   0.05499   0.00000   0.00000   0.06734
  89        3PZ         0.00000   0.00757   0.00000   0.00000  -0.04123
  90 8   H  1S          0.00000   0.43458   0.00000   0.00000  -0.46686
  91        2S          0.00000   0.53184   0.00000   0.00000  -0.50344
  92        3PX        -0.08328   0.00000  -0.08470  -0.19774   0.00000
  93        3PY         0.00000   0.05499   0.00000   0.00000  -0.06734
  94        3PZ         0.00000  -0.00757   0.00000   0.00000  -0.04123
  95 9   H  1S          0.00000   0.43458   0.00000   0.00000   0.46686
  96        2S          0.00000   0.53184   0.00000   0.00000   0.50344
  97        3PX         0.08328   0.00000   0.08470   0.19774   0.00000
  98        3PY         0.00000  -0.05499   0.00000   0.00000  -0.06734
  99        3PZ         0.00000   0.00757   0.00000   0.00000  -0.04123
 100 10  H  1S          0.00000  -0.43458   0.00000   0.00000   0.46686
 101        2S          0.00000  -0.53184   0.00000   0.00000   0.50344
 102        3PX         0.08328   0.00000  -0.08470  -0.19774   0.00000
 103        3PY         0.00000  -0.05499   0.00000   0.00000   0.06734
 104        3PZ         0.00000  -0.00757   0.00000   0.00000  -0.04123
                          61        62        63        64        65
                       (B3G)--V  (B2U)--V   (AU)--V  (B2G)--V  (B3U)--V
     Eigenvalues --     1.31985   1.37971   1.39634   1.41295   1.42795
   1 1   C  1S          0.00997  -0.00748   0.00000   0.00000   0.00000
   2        2S          0.36860  -0.41602   0.00000   0.00000   0.00000
   3        3S         -3.53716  -1.62623   0.00000   0.00000   0.00000
   4        4PX         0.00000   0.00000   0.08566  -0.01308   0.09843
   5        4PY        -0.13566   0.29660   0.00000   0.00000   0.00000
   6        4PZ        -0.01820  -0.01729   0.00000   0.00000   0.00000
   7        5PX         0.00000   0.00000  -0.26909   0.53532   0.08656
   8        5PY         3.93667  -0.37677   0.00000   0.00000   0.00000
   9        5PZ        -0.92269  -1.43794   0.00000   0.00000   0.00000
  10        6D 0       -0.06397  -0.02150   0.00000   0.00000   0.00000
  11        6D+1        0.00000   0.00000  -0.07558  -0.13458   0.34215
  12        6D-1        0.15334   0.18643   0.00000   0.00000   0.00000
  13        6D+2        0.18746   0.15615   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.32895  -0.36194  -0.30000
  15 2   C  1S         -0.00997   0.00748   0.00000   0.00000   0.00000
  16        2S         -0.36860   0.41602   0.00000   0.00000   0.00000
  17        3S          3.53716   1.62623   0.00000   0.00000   0.00000
  18        4PX         0.00000   0.00000  -0.08566  -0.01308   0.09843
  19        4PY        -0.13566   0.29660   0.00000   0.00000   0.00000
  20        4PZ         0.01820   0.01729   0.00000   0.00000   0.00000
  21        5PX         0.00000   0.00000   0.26909   0.53532   0.08656
  22        5PY         3.93667  -0.37677   0.00000   0.00000   0.00000
  23        5PZ         0.92269   1.43794   0.00000   0.00000   0.00000
  24        6D 0        0.06397   0.02150   0.00000   0.00000   0.00000
  25        6D+1        0.00000   0.00000   0.07558  -0.13458   0.34215
  26        6D-1        0.15334   0.18643   0.00000   0.00000   0.00000
  27        6D+2       -0.18746  -0.15615   0.00000   0.00000   0.00000
  28        6D-2        0.00000   0.00000   0.32895   0.36194   0.30000
  29 3   C  1S         -0.00997  -0.00748   0.00000   0.00000   0.00000
  30        2S         -0.36860  -0.41602   0.00000   0.00000   0.00000
  31        3S          3.53716  -1.62623   0.00000   0.00000   0.00000
  32        4PX         0.00000   0.00000  -0.08566   0.01308   0.09843
  33        4PY         0.13566   0.29660   0.00000   0.00000   0.00000
  34        4PZ        -0.01820   0.01729   0.00000   0.00000   0.00000
  35        5PX         0.00000   0.00000   0.26909  -0.53532   0.08656
  36        5PY        -3.93667  -0.37677   0.00000   0.00000   0.00000
  37        5PZ        -0.92269   1.43794   0.00000   0.00000   0.00000
  38        6D 0        0.06397  -0.02150   0.00000   0.00000   0.00000
  39        6D+1        0.00000   0.00000  -0.07558  -0.13458  -0.34215
  40        6D-1        0.15334  -0.18643   0.00000   0.00000   0.00000
  41        6D+2       -0.18746   0.15615   0.00000   0.00000   0.00000
  42        6D-2        0.00000   0.00000  -0.32895   0.36194  -0.30000
  43 4   C  1S          0.00997   0.00748   0.00000   0.00000   0.00000
  44        2S          0.36860   0.41602   0.00000   0.00000   0.00000
  45        3S         -3.53716   1.62623   0.00000   0.00000   0.00000
  46        4PX         0.00000   0.00000   0.08566   0.01308   0.09843
  47        4PY         0.13566   0.29660   0.00000   0.00000   0.00000
  48        4PZ         0.01820  -0.01729   0.00000   0.00000   0.00000
  49        5PX         0.00000   0.00000  -0.26909  -0.53532   0.08656
  50        5PY        -3.93667  -0.37677   0.00000   0.00000   0.00000
  51        5PZ         0.92269  -1.43794   0.00000   0.00000   0.00000
  52        6D 0       -0.06397   0.02150   0.00000   0.00000   0.00000
  53        6D+1        0.00000   0.00000   0.07558  -0.13458  -0.34215
  54        6D-1        0.15334  -0.18643   0.00000   0.00000   0.00000
  55        6D+2        0.18746  -0.15615   0.00000   0.00000   0.00000
  56        6D-2        0.00000   0.00000  -0.32895  -0.36194   0.30000
  57 5   N  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  58        2S          0.00000   0.00000   0.00000   0.00000   0.00000
  59        3S          0.00000   0.00000   0.00000   0.00000   0.00000
  60        4PX         0.00000   0.00000   0.00000  -0.02234  -0.16595
  61        4PY        -0.53245  -0.11826   0.00000   0.00000   0.00000
  62        4PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  63        5PX         0.00000   0.00000   0.00000  -0.52539  -0.32949
  64        5PY         3.49708   2.13285   0.00000   0.00000   0.00000
  65        5PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  66        6D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  67        6D+1        0.00000   0.00000   0.00000  -0.20366  -0.13594
  68        6D-1       -0.08730   0.07601   0.00000   0.00000   0.00000
  69        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  70        6D-2        0.00000   0.00000  -0.14715   0.00000   0.00000
  71 6   N  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  72        2S          0.00000   0.00000   0.00000   0.00000   0.00000
  73        3S          0.00000   0.00000   0.00000   0.00000   0.00000
  74        4PX         0.00000   0.00000   0.00000   0.02234  -0.16595
  75        4PY         0.53245  -0.11826   0.00000   0.00000   0.00000
  76        4PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  77        5PX         0.00000   0.00000   0.00000   0.52539  -0.32949
  78        5PY        -3.49708   2.13285   0.00000   0.00000   0.00000
  79        5PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  80        6D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  81        6D+1        0.00000   0.00000   0.00000  -0.20366   0.13594
  82        6D-1       -0.08730  -0.07601   0.00000   0.00000   0.00000
  83        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  84        6D-2        0.00000   0.00000   0.14715   0.00000   0.00000
  85 7   H  1S         -0.34767   0.46610   0.00000   0.00000   0.00000
  86        2S         -0.57442   0.48530   0.00000   0.00000   0.00000
  87        3PX         0.00000   0.00000   0.26809  -0.20752   0.07647
  88        3PY        -0.06284   0.02030   0.00000   0.00000   0.00000
  89        3PZ        -0.00713  -0.00547   0.00000   0.00000   0.00000
  90 8   H  1S          0.34767  -0.46610   0.00000   0.00000   0.00000
  91        2S          0.57442  -0.48530   0.00000   0.00000   0.00000
  92        3PX         0.00000   0.00000  -0.26809  -0.20752   0.07647
  93        3PY        -0.06284   0.02030   0.00000   0.00000   0.00000
  94        3PZ         0.00713   0.00547   0.00000   0.00000   0.00000
  95 9   H  1S          0.34767   0.46610   0.00000   0.00000   0.00000
  96        2S          0.57442   0.48530   0.00000   0.00000   0.00000
  97        3PX         0.00000   0.00000  -0.26809   0.20752   0.07647
  98        3PY         0.06284   0.02030   0.00000   0.00000   0.00000
  99        3PZ        -0.00713   0.00547   0.00000   0.00000   0.00000
 100 10  H  1S         -0.34767  -0.46610   0.00000   0.00000   0.00000
 101        2S         -0.57442  -0.48530   0.00000   0.00000   0.00000
 102        3PX         0.00000   0.00000   0.26809   0.20752   0.07647
 103        3PY         0.06284   0.02030   0.00000   0.00000   0.00000
 104        3PZ         0.00713  -0.00547   0.00000   0.00000   0.00000
                          66        67        68        69        70
                        (AG)--V  (B3G)--V   (AG)--V  (B2U)--V   (AG)--V
     Eigenvalues --     1.52194   1.58356   1.62682   1.74271   1.80678
   1 1   C  1S         -0.02646  -0.05097   0.01312  -0.00851   0.01419
   2        2S         -0.23395  -0.59286   0.18600   0.08530  -0.12382
   3        3S          0.37237   3.09216  -1.16040   0.21261  -0.47145
   4        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
   5        4PY         0.14538   0.19655   0.13342   0.03282   0.12881
   6        4PZ        -0.04070  -0.14335  -0.17474  -0.11831  -0.01600
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        5PY         0.48440  -2.27873   0.56107  -0.36933   0.31907
   9        5PZ         0.42031  -2.75502  -0.15574   0.37878  -0.52914
  10        6D 0        0.07588   0.05698  -0.05960  -0.25278   0.04116
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.22303   0.22328   0.20349  -0.03065   0.24443
  13        6D+2       -0.32349   0.09086   0.26967  -0.21886   0.19166
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S         -0.02646   0.05097   0.01312   0.00851   0.01419
  16        2S         -0.23395   0.59286   0.18600  -0.08530  -0.12382
  17        3S          0.37237  -3.09216  -1.16040  -0.21261  -0.47145
  18        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  19        4PY        -0.14538   0.19655  -0.13342   0.03282  -0.12881
  20        4PZ        -0.04070   0.14335  -0.17474   0.11831  -0.01600
  21        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  22        5PY        -0.48440  -2.27873  -0.56107  -0.36933  -0.31907
  23        5PZ         0.42031   2.75502  -0.15574  -0.37878  -0.52914
  24        6D 0        0.07588  -0.05698  -0.05960   0.25278   0.04116
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  26        6D-1       -0.22303   0.22328  -0.20349  -0.03065  -0.24443
  27        6D+2       -0.32349  -0.09086   0.26967   0.21886   0.19166
  28        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  29 3   C  1S         -0.02646   0.05097   0.01312  -0.00851   0.01419
  30        2S         -0.23395   0.59286   0.18600   0.08530  -0.12382
  31        3S          0.37237  -3.09216  -1.16040   0.21261  -0.47145
  32        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  33        4PY         0.14538  -0.19655   0.13342   0.03282   0.12881
  34        4PZ         0.04070  -0.14335   0.17474   0.11831   0.01600
  35        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  36        5PY         0.48440   2.27873   0.56107  -0.36933   0.31907
  37        5PZ        -0.42031  -2.75502   0.15574  -0.37878   0.52914
  38        6D 0        0.07588  -0.05698  -0.05960  -0.25278   0.04116
  39        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  40        6D-1       -0.22303   0.22328  -0.20349   0.03065  -0.24443
  41        6D+2       -0.32349  -0.09086   0.26967  -0.21886   0.19166
  42        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S         -0.02646  -0.05097   0.01312   0.00851   0.01419
  44        2S         -0.23395  -0.59286   0.18600  -0.08530  -0.12382
  45        3S          0.37237   3.09216  -1.16040  -0.21261  -0.47145
  46        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  47        4PY        -0.14538  -0.19655  -0.13342   0.03282  -0.12881
  48        4PZ         0.04070   0.14335   0.17474  -0.11831   0.01600
  49        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  50        5PY        -0.48440   2.27873  -0.56107  -0.36933  -0.31907
  51        5PZ        -0.42031   2.75502   0.15574   0.37878   0.52914
  52        6D 0        0.07588   0.05698  -0.05960   0.25278   0.04116
  53        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  54        6D-1        0.22303   0.22328   0.20349   0.03065   0.24443
  55        6D+2       -0.32349   0.09086   0.26967   0.21886   0.19166
  56        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  57 5   N  1S         -0.01651   0.00000  -0.04112   0.00000  -0.03692
  58        2S         -0.38317   0.00000  -0.98064   0.00000   0.26264
  59        3S          0.78473   0.00000   3.17477   0.00000   1.10107
  60        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000  -0.25729   0.00000  -0.28501   0.00000
  62        4PZ         0.20857   0.00000  -0.16574   0.00000  -0.33148
  63        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000   1.23648   0.00000   0.12652   0.00000
  65        5PZ        -0.72784   0.00000  -0.78138   0.00000   0.06496
  66        6D 0        0.07576   0.00000  -0.09222   0.00000   0.10959
  67        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.08857   0.00000  -0.01333   0.00000
  69        6D+2       -0.00895   0.00000   0.15534   0.00000   0.00163
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S         -0.01651   0.00000  -0.04112   0.00000  -0.03692
  72        2S         -0.38317   0.00000  -0.98064   0.00000   0.26264
  73        3S          0.78473   0.00000   3.17477   0.00000   1.10107
  74        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000   0.25729   0.00000  -0.28501   0.00000
  76        4PZ        -0.20857   0.00000   0.16574   0.00000   0.33148
  77        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000  -1.23648   0.00000   0.12652   0.00000
  79        5PZ         0.72784   0.00000   0.78138   0.00000  -0.06496
  80        6D 0        0.07576   0.00000  -0.09222   0.00000   0.10959
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.08857   0.00000   0.01333   0.00000
  83        6D+2       -0.00895   0.00000   0.15534   0.00000   0.00163
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S         -0.60519   0.54028   0.04181  -0.09718  -0.02017
  86        2S         -0.19565   1.03355  -0.02109   0.12127   0.04021
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  88        3PY        -0.07810   0.13248   0.03000   0.13912  -0.25670
  89        3PZ        -0.03796   0.07352  -0.12935  -0.33518   0.31833
  90 8   H  1S         -0.60519  -0.54028   0.04181   0.09718  -0.02017
  91        2S         -0.19565  -1.03355  -0.02109  -0.12127   0.04021
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY         0.07810   0.13248  -0.03000   0.13912   0.25670
  94        3PZ        -0.03796  -0.07352  -0.12935   0.33518   0.31833
  95 9   H  1S         -0.60519  -0.54028   0.04181  -0.09718  -0.02017
  96        2S         -0.19565  -1.03355  -0.02109   0.12127   0.04021
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  98        3PY        -0.07810  -0.13248   0.03000   0.13912  -0.25670
  99        3PZ         0.03796   0.07352   0.12935   0.33518  -0.31833
 100 10  H  1S         -0.60519   0.54028   0.04181   0.09718  -0.02017
 101        2S         -0.19565   1.03355  -0.02109  -0.12127   0.04021
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.07810  -0.13248  -0.03000   0.13912   0.25670
 104        3PZ         0.03796  -0.07352   0.12935  -0.33518  -0.31833
                          71        72        73        74        75
                        (AU)--V  (B1U)--V  (B3G)--V   (AG)--V  (B3U)--V
     Eigenvalues --     1.82223   1.82529   1.84134   1.88793   1.90607
   1 1   C  1S          0.00000  -0.00673  -0.00836  -0.01387   0.00000
   2        2S          0.00000  -0.18270   0.20034  -0.40728   0.00000
   3        3S          0.00000   1.08134   0.48582  -0.33937   0.00000
   4        4PX        -0.16035   0.00000   0.00000   0.00000  -0.14418
   5        4PY         0.00000   0.10384   0.06298   0.07851   0.00000
   6        4PZ         0.00000  -0.02006  -0.32967   0.15513   0.00000
   7        5PX        -0.46686   0.00000   0.00000   0.00000  -0.16632
   8        5PY         0.00000   1.11472   1.35092   0.09515   0.00000
   9        5PZ         0.00000  -1.40862  -1.15687  -0.54153   0.00000
  10        6D 0        0.00000  -0.01621   0.18948   0.39542   0.00000
  11        6D+1        0.48182   0.00000   0.00000   0.00000  -0.24814
  12        6D-1        0.00000   0.27675   0.07171  -0.10106   0.00000
  13        6D+2        0.00000   0.14255   0.16162  -0.03037   0.00000
  14        6D-2       -0.07227   0.00000   0.00000   0.00000  -0.17601
  15 2   C  1S          0.00000  -0.00673   0.00836  -0.01387   0.00000
  16        2S          0.00000  -0.18270  -0.20034  -0.40728   0.00000
  17        3S          0.00000   1.08134  -0.48582  -0.33937   0.00000
  18        4PX         0.16035   0.00000   0.00000   0.00000  -0.14418
  19        4PY         0.00000  -0.10384   0.06298  -0.07851   0.00000
  20        4PZ         0.00000  -0.02006   0.32967   0.15513   0.00000
  21        5PX         0.46686   0.00000   0.00000   0.00000  -0.16632
  22        5PY         0.00000  -1.11472   1.35092  -0.09515   0.00000
  23        5PZ         0.00000  -1.40862   1.15687  -0.54153   0.00000
  24        6D 0        0.00000  -0.01621  -0.18948   0.39542   0.00000
  25        6D+1       -0.48182   0.00000   0.00000   0.00000  -0.24814
  26        6D-1        0.00000  -0.27675   0.07171   0.10106   0.00000
  27        6D+2        0.00000   0.14255  -0.16162  -0.03037   0.00000
  28        6D-2       -0.07227   0.00000   0.00000   0.00000   0.17601
  29 3   C  1S          0.00000   0.00673   0.00836  -0.01387   0.00000
  30        2S          0.00000   0.18270  -0.20034  -0.40728   0.00000
  31        3S          0.00000  -1.08134  -0.48582  -0.33937   0.00000
  32        4PX         0.16035   0.00000   0.00000   0.00000  -0.14418
  33        4PY         0.00000  -0.10384  -0.06298   0.07851   0.00000
  34        4PZ         0.00000  -0.02006  -0.32967  -0.15513   0.00000
  35        5PX         0.46686   0.00000   0.00000   0.00000  -0.16632
  36        5PY         0.00000  -1.11472  -1.35092   0.09515   0.00000
  37        5PZ         0.00000  -1.40862  -1.15687   0.54153   0.00000
  38        6D 0        0.00000   0.01621  -0.18948   0.39542   0.00000
  39        6D+1        0.48182   0.00000   0.00000   0.00000   0.24814
  40        6D-1        0.00000   0.27675   0.07171   0.10106   0.00000
  41        6D+2        0.00000  -0.14255  -0.16162  -0.03037   0.00000
  42        6D-2        0.07227   0.00000   0.00000   0.00000  -0.17601
  43 4   C  1S          0.00000   0.00673  -0.00836  -0.01387   0.00000
  44        2S          0.00000   0.18270   0.20034  -0.40728   0.00000
  45        3S          0.00000  -1.08134   0.48582  -0.33937   0.00000
  46        4PX        -0.16035   0.00000   0.00000   0.00000  -0.14418
  47        4PY         0.00000   0.10384  -0.06298  -0.07851   0.00000
  48        4PZ         0.00000  -0.02006   0.32967  -0.15513   0.00000
  49        5PX        -0.46686   0.00000   0.00000   0.00000  -0.16632
  50        5PY         0.00000   1.11472  -1.35092  -0.09515   0.00000
  51        5PZ         0.00000  -1.40862   1.15687   0.54153   0.00000
  52        6D 0        0.00000   0.01621   0.18948   0.39542   0.00000
  53        6D+1       -0.48182   0.00000   0.00000   0.00000   0.24814
  54        6D-1        0.00000  -0.27675   0.07171  -0.10106   0.00000
  55        6D+2        0.00000  -0.14255   0.16162  -0.03037   0.00000
  56        6D-2        0.07227   0.00000   0.00000   0.00000   0.17601
  57 5   N  1S          0.00000  -0.03994   0.00000  -0.01781   0.00000
  58        2S          0.00000  -0.24503   0.00000  -0.65506   0.00000
  59        3S          0.00000   2.43099   0.00000   1.40976   0.00000
  60        4PX         0.00000   0.00000   0.00000   0.00000  -0.06200
  61        4PY         0.00000   0.00000   0.25662   0.00000   0.00000
  62        4PZ         0.00000  -0.23206   0.00000  -0.12541   0.00000
  63        5PX         0.00000   0.00000   0.00000   0.00000   0.24494
  64        5PY         0.00000   0.00000   0.62050   0.00000   0.00000
  65        5PZ         0.00000  -0.02441   0.00000  -0.11082   0.00000
  66        6D 0        0.00000   0.17371   0.00000  -0.23423   0.00000
  67        6D+1        0.00000   0.00000   0.00000   0.00000  -0.12013
  68        6D-1        0.00000   0.00000   0.02529   0.00000   0.00000
  69        6D+2        0.00000   0.06255   0.00000  -0.02244   0.00000
  70        6D-2        0.25234   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000   0.03994   0.00000  -0.01781   0.00000
  72        2S          0.00000   0.24503   0.00000  -0.65506   0.00000
  73        3S          0.00000  -2.43099   0.00000   1.40976   0.00000
  74        4PX         0.00000   0.00000   0.00000   0.00000  -0.06200
  75        4PY         0.00000   0.00000  -0.25662   0.00000   0.00000
  76        4PZ         0.00000  -0.23206   0.00000   0.12541   0.00000
  77        5PX         0.00000   0.00000   0.00000   0.00000   0.24494
  78        5PY         0.00000   0.00000  -0.62050   0.00000   0.00000
  79        5PZ         0.00000  -0.02441   0.00000   0.11082   0.00000
  80        6D 0        0.00000  -0.17371   0.00000  -0.23423   0.00000
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.12013
  82        6D-1        0.00000   0.00000   0.02529   0.00000   0.00000
  83        6D+2        0.00000  -0.06255   0.00000  -0.02244   0.00000
  84        6D-2       -0.25234   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.00000  -0.26448  -0.14145   0.19105   0.00000
  86        2S          0.00000   0.00424  -0.15244  -0.01347   0.00000
  87        3PX         0.27567   0.00000   0.00000   0.00000   0.55426
  88        3PY         0.00000  -0.23099  -0.20108   0.01678   0.00000
  89        3PZ         0.00000   0.36102   0.42342   0.10931   0.00000
  90 8   H  1S          0.00000  -0.26448   0.14145   0.19105   0.00000
  91        2S          0.00000   0.00424   0.15244  -0.01347   0.00000
  92        3PX        -0.27567   0.00000   0.00000   0.00000   0.55426
  93        3PY         0.00000   0.23099  -0.20108  -0.01678   0.00000
  94        3PZ         0.00000   0.36102  -0.42342   0.10931   0.00000
  95 9   H  1S          0.00000   0.26448   0.14145   0.19105   0.00000
  96        2S          0.00000  -0.00424   0.15244  -0.01347   0.00000
  97        3PX        -0.27567   0.00000   0.00000   0.00000   0.55426
  98        3PY         0.00000   0.23099   0.20108   0.01678   0.00000
  99        3PZ         0.00000   0.36102   0.42342  -0.10931   0.00000
 100 10  H  1S          0.00000   0.26448  -0.14145   0.19105   0.00000
 101        2S          0.00000  -0.00424  -0.15244  -0.01347   0.00000
 102        3PX         0.27567   0.00000   0.00000   0.00000   0.55426
 103        3PY         0.00000  -0.23099   0.20108  -0.01678   0.00000
 104        3PZ         0.00000   0.36102  -0.42342  -0.10931   0.00000
                          76        77        78        79        80
                       (B1U)--V  (B2U)--V  (B2G)--V  (B1G)--V  (B1U)--V
     Eigenvalues --     1.91577   1.91778   1.96183   1.97165   2.02626
   1 1   C  1S          0.03471  -0.01936   0.00000   0.00000   0.02719
   2        2S          0.41795  -0.41856   0.00000   0.00000  -0.02968
   3        3S         -2.94804   0.79153   0.00000   0.00000  -4.05778
   4        4PX         0.00000   0.00000  -0.14104  -0.11845   0.00000
   5        4PY         0.12800   0.05630   0.00000   0.00000   0.00268
   6        4PZ        -0.13919   0.02399   0.00000   0.00000   0.20422
   7        5PX         0.00000   0.00000  -0.42979  -0.06845   0.00000
   8        5PY         1.21555  -0.25398   0.00000   0.00000   1.96350
   9        5PZ         0.52366   0.07074   0.00000   0.00000   1.68622
  10        6D 0        0.00793   0.03456   0.00000   0.00000  -0.16530
  11        6D+1        0.00000   0.00000   0.22955  -0.17480   0.00000
  12        6D-1       -0.06520   0.26820   0.00000   0.00000   0.24232
  13        6D+2        0.37711  -0.30590   0.00000   0.00000   0.00208
  14        6D-2        0.00000   0.00000  -0.26519  -0.35590   0.00000
  15 2   C  1S          0.03471   0.01936   0.00000   0.00000   0.02719
  16        2S          0.41795   0.41856   0.00000   0.00000  -0.02968
  17        3S         -2.94804  -0.79153   0.00000   0.00000  -4.05778
  18        4PX         0.00000   0.00000  -0.14104   0.11845   0.00000
  19        4PY        -0.12800   0.05630   0.00000   0.00000  -0.00268
  20        4PZ        -0.13919  -0.02399   0.00000   0.00000   0.20422
  21        5PX         0.00000   0.00000  -0.42979   0.06845   0.00000
  22        5PY        -1.21555  -0.25398   0.00000   0.00000  -1.96350
  23        5PZ         0.52366  -0.07074   0.00000   0.00000   1.68622
  24        6D 0        0.00793  -0.03456   0.00000   0.00000  -0.16530
  25        6D+1        0.00000   0.00000   0.22955   0.17480   0.00000
  26        6D-1        0.06520   0.26820   0.00000   0.00000  -0.24232
  27        6D+2        0.37711   0.30590   0.00000   0.00000   0.00208
  28        6D-2        0.00000   0.00000   0.26519  -0.35590   0.00000
  29 3   C  1S         -0.03471  -0.01936   0.00000   0.00000  -0.02719
  30        2S         -0.41795  -0.41856   0.00000   0.00000   0.02968
  31        3S          2.94804   0.79153   0.00000   0.00000   4.05778
  32        4PX         0.00000   0.00000   0.14104  -0.11845   0.00000
  33        4PY        -0.12800   0.05630   0.00000   0.00000  -0.00268
  34        4PZ        -0.13919  -0.02399   0.00000   0.00000   0.20422
  35        5PX         0.00000   0.00000   0.42979  -0.06845   0.00000
  36        5PY        -1.21555  -0.25398   0.00000   0.00000  -1.96350
  37        5PZ         0.52366  -0.07074   0.00000   0.00000   1.68622
  38        6D 0       -0.00793   0.03456   0.00000   0.00000   0.16530
  39        6D+1        0.00000   0.00000   0.22955   0.17480   0.00000
  40        6D-1       -0.06520  -0.26820   0.00000   0.00000   0.24232
  41        6D+2       -0.37711  -0.30590   0.00000   0.00000  -0.00208
  42        6D-2        0.00000   0.00000   0.26519  -0.35590   0.00000
  43 4   C  1S         -0.03471   0.01936   0.00000   0.00000  -0.02719
  44        2S         -0.41795   0.41856   0.00000   0.00000   0.02968
  45        3S          2.94804  -0.79153   0.00000   0.00000   4.05778
  46        4PX         0.00000   0.00000   0.14104   0.11845   0.00000
  47        4PY         0.12800   0.05630   0.00000   0.00000   0.00268
  48        4PZ        -0.13919   0.02399   0.00000   0.00000   0.20422
  49        5PX         0.00000   0.00000   0.42979   0.06845   0.00000
  50        5PY         1.21555  -0.25398   0.00000   0.00000   1.96350
  51        5PZ         0.52366   0.07074   0.00000   0.00000   1.68622
  52        6D 0       -0.00793  -0.03456   0.00000   0.00000   0.16530
  53        6D+1        0.00000   0.00000   0.22955  -0.17480   0.00000
  54        6D-1        0.06520  -0.26820   0.00000   0.00000  -0.24232
  55        6D+2       -0.37711   0.30590   0.00000   0.00000  -0.00208
  56        6D-2        0.00000   0.00000  -0.26519  -0.35590   0.00000
  57 5   N  1S         -0.04689   0.00000   0.00000   0.00000  -0.04963
  58        2S         -0.79987   0.00000   0.00000   0.00000  -1.15514
  59        3S          3.57192   0.00000   0.00000   0.00000   4.27783
  60        4PX         0.00000   0.00000  -0.25919   0.00000   0.00000
  61        4PY         0.00000   0.30872   0.00000   0.00000   0.00000
  62        4PZ        -0.28157   0.00000   0.00000   0.00000   0.19476
  63        5PX         0.00000   0.00000   0.32744   0.00000   0.00000
  64        5PY         0.00000  -0.61439   0.00000   0.00000   0.00000
  65        5PZ        -0.78294   0.00000   0.00000   0.00000  -1.72321
  66        6D 0       -0.29118   0.00000   0.00000   0.00000   0.07001
  67        6D+1        0.00000   0.00000  -0.27133   0.00000   0.00000
  68        6D-1        0.00000   0.05666   0.00000   0.00000   0.00000
  69        6D+2        0.11080   0.00000   0.00000   0.00000   0.16694
  70        6D-2        0.00000   0.00000   0.00000  -0.07562   0.00000
  71 6   N  1S          0.04689   0.00000   0.00000   0.00000   0.04963
  72        2S          0.79987   0.00000   0.00000   0.00000   1.15514
  73        3S         -3.57192   0.00000   0.00000   0.00000  -4.27783
  74        4PX         0.00000   0.00000   0.25919   0.00000   0.00000
  75        4PY         0.00000   0.30872   0.00000   0.00000   0.00000
  76        4PZ        -0.28157   0.00000   0.00000   0.00000   0.19476
  77        5PX         0.00000   0.00000  -0.32744   0.00000   0.00000
  78        5PY         0.00000  -0.61439   0.00000   0.00000   0.00000
  79        5PZ        -0.78294   0.00000   0.00000   0.00000  -1.72321
  80        6D 0        0.29118   0.00000   0.00000   0.00000  -0.07001
  81        6D+1        0.00000   0.00000  -0.27133   0.00000   0.00000
  82        6D-1        0.00000  -0.05666   0.00000   0.00000   0.00000
  83        6D+2       -0.11080   0.00000   0.00000   0.00000  -0.16694
  84        6D-2        0.00000   0.00000   0.00000  -0.07562   0.00000
  85 7   H  1S          0.24509  -0.31256   0.00000   0.00000  -0.29355
  86        2S         -0.28105   0.14365   0.00000   0.00000  -0.51124
  87        3PX         0.00000   0.00000   0.43371   0.54886   0.00000
  88        3PY         0.09333  -0.25115   0.00000   0.00000  -0.01697
  89        3PZ         0.03871  -0.04220   0.00000   0.00000  -0.28976
  90 8   H  1S          0.24509   0.31256   0.00000   0.00000  -0.29355
  91        2S         -0.28105  -0.14365   0.00000   0.00000  -0.51124
  92        3PX         0.00000   0.00000   0.43371  -0.54886   0.00000
  93        3PY        -0.09333  -0.25115   0.00000   0.00000   0.01697
  94        3PZ         0.03871   0.04220   0.00000   0.00000  -0.28976
  95 9   H  1S         -0.24509  -0.31256   0.00000   0.00000   0.29355
  96        2S          0.28105   0.14365   0.00000   0.00000   0.51124
  97        3PX         0.00000   0.00000  -0.43371   0.54886   0.00000
  98        3PY        -0.09333  -0.25115   0.00000   0.00000   0.01697
  99        3PZ         0.03871   0.04220   0.00000   0.00000  -0.28976
 100 10  H  1S         -0.24509   0.31256   0.00000   0.00000   0.29355
 101        2S          0.28105  -0.14365   0.00000   0.00000   0.51124
 102        3PX         0.00000   0.00000  -0.43371  -0.54886   0.00000
 103        3PY         0.09333  -0.25115   0.00000   0.00000  -0.01697
 104        3PZ         0.03871  -0.04220   0.00000   0.00000  -0.28976
                          81        82        83        84        85
                       (B2G)--V  (B2U)--V  (B1U)--V   (AG)--V  (B3G)--V
     Eigenvalues --     2.10921   2.12410   2.20956   2.23138   2.26127
   1 1   C  1S          0.00000   0.05795  -0.05030  -0.00446  -0.07259
   2        2S          0.00000   0.52854  -0.09760   0.31482  -0.50546
   3        3S          0.00000  -0.37199   2.52090  -0.31349   3.80673
   4        4PX        -0.08374   0.00000   0.00000   0.00000   0.00000
   5        4PY         0.00000   0.00297   0.04701  -0.09164  -0.21987
   6        4PZ         0.00000  -0.23833  -0.60537   0.03982  -0.42414
   7        5PX         0.14501   0.00000   0.00000   0.00000   0.00000
   8        5PY         0.00000   0.83160   0.12629   0.16577  -1.19164
   9        5PZ         0.00000   0.61731  -1.59431  -0.08795  -1.67066
  10        6D 0        0.00000  -0.12741   0.71760  -0.22965   0.46630
  11        6D+1        0.72101   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.31150   0.05277  -0.29785   0.14500
  13        6D+2        0.00000   0.44089  -0.23190  -0.18667  -0.38562
  14        6D-2       -0.04439   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S          0.00000  -0.05795  -0.05030  -0.00446   0.07259
  16        2S          0.00000  -0.52854  -0.09760   0.31482   0.50546
  17        3S          0.00000   0.37199   2.52090  -0.31349  -3.80673
  18        4PX        -0.08374   0.00000   0.00000   0.00000   0.00000
  19        4PY         0.00000   0.00297  -0.04701   0.09164  -0.21987
  20        4PZ         0.00000   0.23833  -0.60537   0.03982   0.42414
  21        5PX         0.14501   0.00000   0.00000   0.00000   0.00000
  22        5PY         0.00000   0.83160  -0.12629  -0.16577  -1.19164
  23        5PZ         0.00000  -0.61731  -1.59431  -0.08795   1.67066
  24        6D 0        0.00000   0.12741   0.71760  -0.22965  -0.46630
  25        6D+1        0.72101   0.00000   0.00000   0.00000   0.00000
  26        6D-1        0.00000   0.31150  -0.05277   0.29785   0.14500
  27        6D+2        0.00000  -0.44089  -0.23190  -0.18667   0.38562
  28        6D-2        0.04439   0.00000   0.00000   0.00000   0.00000
  29 3   C  1S          0.00000   0.05795   0.05030  -0.00446   0.07259
  30        2S          0.00000   0.52854   0.09760   0.31482   0.50546
  31        3S          0.00000  -0.37199  -2.52090  -0.31349  -3.80673
  32        4PX         0.08374   0.00000   0.00000   0.00000   0.00000
  33        4PY         0.00000   0.00297  -0.04701  -0.09164   0.21987
  34        4PZ         0.00000   0.23833  -0.60537  -0.03982  -0.42414
  35        5PX        -0.14501   0.00000   0.00000   0.00000   0.00000
  36        5PY         0.00000   0.83160  -0.12629   0.16577   1.19164
  37        5PZ         0.00000  -0.61731  -1.59431   0.08795  -1.67066
  38        6D 0        0.00000  -0.12741  -0.71760  -0.22965  -0.46630
  39        6D+1        0.72101   0.00000   0.00000   0.00000   0.00000
  40        6D-1        0.00000  -0.31150   0.05277   0.29785   0.14500
  41        6D+2        0.00000   0.44089   0.23190  -0.18667   0.38562
  42        6D-2        0.04439   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S          0.00000  -0.05795   0.05030  -0.00446  -0.07259
  44        2S          0.00000  -0.52854   0.09760   0.31482  -0.50546
  45        3S          0.00000   0.37199  -2.52090  -0.31349   3.80673
  46        4PX         0.08374   0.00000   0.00000   0.00000   0.00000
  47        4PY         0.00000   0.00297   0.04701   0.09164   0.21987
  48        4PZ         0.00000  -0.23833  -0.60537  -0.03982   0.42414
  49        5PX        -0.14501   0.00000   0.00000   0.00000   0.00000
  50        5PY         0.00000   0.83160   0.12629  -0.16577   1.19164
  51        5PZ         0.00000   0.61731  -1.59431   0.08795   1.67066
  52        6D 0        0.00000   0.12741  -0.71760  -0.22965   0.46630
  53        6D+1        0.72101   0.00000   0.00000   0.00000   0.00000
  54        6D-1        0.00000  -0.31150  -0.05277  -0.29785   0.14500
  55        6D+2        0.00000  -0.44089   0.23190  -0.18667  -0.38562
  56        6D-2       -0.04439   0.00000   0.00000   0.00000   0.00000
  57 5   N  1S          0.00000   0.00000  -0.01461   0.00408   0.00000
  58        2S          0.00000   0.00000  -0.51905  -0.75036   0.00000
  59        3S          0.00000   0.00000   0.89878   0.84681   0.00000
  60        4PX        -0.04796   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000   0.58587   0.00000   0.00000  -0.15400
  62        4PZ         0.00000   0.00000  -0.04733   0.35284   0.00000
  63        5PX        -0.37125   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000  -0.29098   0.00000   0.00000  -0.33581
  65        5PZ         0.00000   0.00000   0.06079  -0.24651   0.00000
  66        6D 0        0.00000   0.00000  -0.07901   0.13620   0.00000
  67        6D+1        0.16221   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000  -0.08422   0.00000   0.00000   0.09990
  69        6D+2        0.00000   0.00000  -0.09028   0.24613   0.00000
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000   0.00000   0.01461   0.00408   0.00000
  72        2S          0.00000   0.00000   0.51905  -0.75036   0.00000
  73        3S          0.00000   0.00000  -0.89878   0.84681   0.00000
  74        4PX         0.04796   0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000   0.58587   0.00000   0.00000   0.15400
  76        4PZ         0.00000   0.00000  -0.04733  -0.35284   0.00000
  77        5PX         0.37125   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000  -0.29098   0.00000   0.00000   0.33581
  79        5PZ         0.00000   0.00000   0.06079   0.24651   0.00000
  80        6D 0        0.00000   0.00000   0.07901   0.13620   0.00000
  81        6D+1        0.16221   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.08422   0.00000   0.00000   0.09990
  83        6D+2        0.00000   0.00000   0.09028   0.24613   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.00000  -0.17578  -0.15740   0.01518  -0.06267
  86        2S          0.00000  -0.34412   0.20284  -0.04759   0.61420
  87        3PX        -0.30290   0.00000   0.00000   0.00000   0.00000
  88        3PY         0.00000   0.03474  -0.07878  -0.07386  -0.27836
  89        3PZ         0.00000  -0.19996  -0.01834   0.40471  -0.16425
  90 8   H  1S          0.00000   0.17578  -0.15740   0.01518   0.06267
  91        2S          0.00000   0.34412   0.20284  -0.04759  -0.61420
  92        3PX        -0.30290   0.00000   0.00000   0.00000   0.00000
  93        3PY         0.00000   0.03474   0.07878   0.07386  -0.27836
  94        3PZ         0.00000   0.19996  -0.01834   0.40471   0.16425
  95 9   H  1S          0.00000  -0.17578   0.15740   0.01518   0.06267
  96        2S          0.00000  -0.34412  -0.20284  -0.04759  -0.61420
  97        3PX         0.30290   0.00000   0.00000   0.00000   0.00000
  98        3PY         0.00000   0.03474   0.07878  -0.07386   0.27836
  99        3PZ         0.00000   0.19996  -0.01834  -0.40471  -0.16425
 100 10  H  1S          0.00000   0.17578   0.15740   0.01518  -0.06267
 101        2S          0.00000   0.34412  -0.20284  -0.04759   0.61420
 102        3PX         0.30290   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.00000   0.03474  -0.07878   0.07386   0.27836
 104        3PZ         0.00000  -0.19996  -0.01834  -0.40471   0.16425
                          86        87        88        89        90
                        (AU)--V  (B2U)--V  (B3U)--V  (B3G)--V   (AG)--V
     Eigenvalues --     2.27814   2.34749   2.44763   2.47070   2.52761
   1 1   C  1S          0.00000   0.03426   0.00000  -0.03862  -0.00323
   2        2S          0.00000   0.21039   0.00000   0.50119   0.06792
   3        3S          0.00000  -1.61213   0.00000   2.20401  -0.01951
   4        4PX         0.01517   0.00000   0.07429   0.00000   0.00000
   5        4PY         0.00000   0.08650   0.00000   0.10619   0.57224
   6        4PZ         0.00000  -0.36216   0.00000  -0.22699   0.08854
   7        5PX         0.00999   0.00000   0.11082   0.00000   0.00000
   8        5PY         0.00000   0.52895   0.00000  -1.46012   0.43417
   9        5PZ         0.00000  -0.56890   0.00000   0.48110   0.17056
  10        6D 0        0.00000  -0.49634   0.00000   0.68636   0.07765
  11        6D+1       -0.44282   0.00000   0.05733   0.00000   0.00000
  12        6D-1        0.00000  -0.02218   0.00000  -0.29716   0.24418
  13        6D+2        0.00000   0.03184   0.00000  -0.20087   0.06568
  14        6D-2       -0.48402   0.00000  -0.34127   0.00000   0.00000
  15 2   C  1S          0.00000  -0.03426   0.00000   0.03862  -0.00323
  16        2S          0.00000  -0.21039   0.00000  -0.50119   0.06792
  17        3S          0.00000   1.61213   0.00000  -2.20401  -0.01951
  18        4PX        -0.01517   0.00000   0.07429   0.00000   0.00000
  19        4PY         0.00000   0.08650   0.00000   0.10619  -0.57224
  20        4PZ         0.00000   0.36216   0.00000   0.22699   0.08854
  21        5PX        -0.00999   0.00000   0.11082   0.00000   0.00000
  22        5PY         0.00000   0.52895   0.00000  -1.46012  -0.43417
  23        5PZ         0.00000   0.56890   0.00000  -0.48110   0.17056
  24        6D 0        0.00000   0.49634   0.00000  -0.68636   0.07765
  25        6D+1        0.44282   0.00000   0.05733   0.00000   0.00000
  26        6D-1        0.00000  -0.02218   0.00000  -0.29716  -0.24418
  27        6D+2        0.00000  -0.03184   0.00000   0.20087   0.06568
  28        6D-2       -0.48402   0.00000   0.34127   0.00000   0.00000
  29 3   C  1S          0.00000   0.03426   0.00000   0.03862  -0.00323
  30        2S          0.00000   0.21039   0.00000  -0.50119   0.06792
  31        3S          0.00000  -1.61213   0.00000  -2.20401  -0.01951
  32        4PX        -0.01517   0.00000   0.07429   0.00000   0.00000
  33        4PY         0.00000   0.08650   0.00000  -0.10619   0.57224
  34        4PZ         0.00000   0.36216   0.00000  -0.22699  -0.08854
  35        5PX        -0.00999   0.00000   0.11082   0.00000   0.00000
  36        5PY         0.00000   0.52895   0.00000   1.46012   0.43417
  37        5PZ         0.00000   0.56890   0.00000   0.48110  -0.17056
  38        6D 0        0.00000  -0.49634   0.00000  -0.68636   0.07765
  39        6D+1       -0.44282   0.00000  -0.05733   0.00000   0.00000
  40        6D-1        0.00000   0.02218   0.00000  -0.29716  -0.24418
  41        6D+2        0.00000   0.03184   0.00000   0.20087   0.06568
  42        6D-2        0.48402   0.00000  -0.34127   0.00000   0.00000
  43 4   C  1S          0.00000  -0.03426   0.00000  -0.03862  -0.00323
  44        2S          0.00000  -0.21039   0.00000   0.50119   0.06792
  45        3S          0.00000   1.61213   0.00000   2.20401  -0.01951
  46        4PX         0.01517   0.00000   0.07429   0.00000   0.00000
  47        4PY         0.00000   0.08650   0.00000  -0.10619  -0.57224
  48        4PZ         0.00000  -0.36216   0.00000   0.22699  -0.08854
  49        5PX         0.00999   0.00000   0.11082   0.00000   0.00000
  50        5PY         0.00000   0.52895   0.00000   1.46012  -0.43417
  51        5PZ         0.00000  -0.56890   0.00000  -0.48110  -0.17056
  52        6D 0        0.00000   0.49634   0.00000   0.68636   0.07765
  53        6D+1        0.44282   0.00000  -0.05733   0.00000   0.00000
  54        6D-1        0.00000   0.02218   0.00000  -0.29716   0.24418
  55        6D+2        0.00000  -0.03184   0.00000  -0.20087   0.06568
  56        6D-2        0.48402   0.00000   0.34127   0.00000   0.00000
  57 5   N  1S          0.00000   0.00000   0.00000   0.00000  -0.03513
  58        2S          0.00000   0.00000   0.00000   0.00000  -0.31777
  59        3S          0.00000   0.00000   0.00000   0.00000   1.44176
  60        4PX         0.00000   0.00000   0.02198   0.00000   0.00000
  61        4PY         0.00000  -0.08083   0.00000  -0.22484   0.00000
  62        4PZ         0.00000   0.00000   0.00000   0.00000  -0.09092
  63        5PX         0.00000   0.00000  -0.40494   0.00000   0.00000
  64        5PY         0.00000   1.62168   0.00000  -1.79240   0.00000
  65        5PZ         0.00000   0.00000   0.00000   0.00000  -0.70263
  66        6D 0        0.00000   0.00000   0.00000   0.00000   0.38261
  67        6D+1        0.00000   0.00000   0.74745   0.00000   0.00000
  68        6D-1        0.00000  -0.19901   0.00000   0.16473   0.00000
  69        6D+2        0.00000   0.00000   0.00000   0.00000  -0.35270
  70        6D-2       -0.03883   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000   0.00000   0.00000   0.00000  -0.03513
  72        2S          0.00000   0.00000   0.00000   0.00000  -0.31777
  73        3S          0.00000   0.00000   0.00000   0.00000   1.44176
  74        4PX         0.00000   0.00000   0.02198   0.00000   0.00000
  75        4PY         0.00000  -0.08083   0.00000   0.22484   0.00000
  76        4PZ         0.00000   0.00000   0.00000   0.00000   0.09092
  77        5PX         0.00000   0.00000  -0.40494   0.00000   0.00000
  78        5PY         0.00000   1.62168   0.00000   1.79240   0.00000
  79        5PZ         0.00000   0.00000   0.00000   0.00000   0.70263
  80        6D 0        0.00000   0.00000   0.00000   0.00000   0.38261
  81        6D+1        0.00000   0.00000  -0.74745   0.00000   0.00000
  82        6D-1        0.00000   0.19901   0.00000   0.16473   0.00000
  83        6D+2        0.00000   0.00000   0.00000   0.00000  -0.35270
  84        6D-2        0.03883   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.00000   0.14931   0.00000  -0.07939  -0.44087
  86        2S          0.00000   0.07403   0.00000  -0.03573  -0.32446
  87        3PX         0.48653   0.00000   0.12457   0.00000   0.00000
  88        3PY         0.00000  -0.31931   0.00000   0.44295   0.53307
  89        3PZ         0.00000   0.36585   0.00000   0.00681   0.19953
  90 8   H  1S          0.00000  -0.14931   0.00000   0.07939  -0.44087
  91        2S          0.00000  -0.07403   0.00000   0.03573  -0.32446
  92        3PX        -0.48653   0.00000   0.12457   0.00000   0.00000
  93        3PY         0.00000  -0.31931   0.00000   0.44295  -0.53307
  94        3PZ         0.00000  -0.36585   0.00000  -0.00681   0.19953
  95 9   H  1S          0.00000   0.14931   0.00000   0.07939  -0.44087
  96        2S          0.00000   0.07403   0.00000   0.03573  -0.32446
  97        3PX        -0.48653   0.00000   0.12457   0.00000   0.00000
  98        3PY         0.00000  -0.31931   0.00000  -0.44295   0.53307
  99        3PZ         0.00000  -0.36585   0.00000   0.00681  -0.19953
 100 10  H  1S          0.00000  -0.14931   0.00000  -0.07939  -0.44087
 101        2S          0.00000  -0.07403   0.00000  -0.03573  -0.32446
 102        3PX         0.48653   0.00000   0.12457   0.00000   0.00000
 103        3PY         0.00000  -0.31931   0.00000  -0.44295  -0.53307
 104        3PZ         0.00000   0.36585   0.00000  -0.00681  -0.19953
                          91        92        93        94        95
                       (B1U)--V  (B1G)--V  (B2G)--V  (B2U)--V  (B3G)--V
     Eigenvalues --     2.53877   2.54889   2.69978   2.81791   2.85145
   1 1   C  1S          0.00155   0.00000   0.00000   0.00224  -0.05603
   2        2S          0.15242   0.00000   0.00000  -0.47737  -0.59164
   3        3S         -1.07487   0.00000   0.00000  -0.47077   1.90273
   4        4PX         0.00000  -0.15778   0.06884   0.00000   0.00000
   5        4PY         0.58048   0.00000   0.00000  -0.52835   0.41430
   6        4PZ         0.10219   0.00000   0.00000  -0.26011   0.06548
   7        5PX         0.00000  -0.08306   0.21589   0.00000   0.00000
   8        5PY         0.55959   0.00000   0.00000  -0.37703   0.52714
   9        5PZ         0.67657   0.00000   0.00000  -0.22026  -1.89844
  10        6D 0        0.09674   0.00000   0.00000   0.16796  -0.22168
  11        6D+1        0.00000  -0.22838  -0.07579   0.00000   0.00000
  12        6D-1        0.18409   0.00000   0.00000  -0.39789  -0.19538
  13        6D+2       -0.00779   0.00000   0.00000   0.35134  -0.45089
  14        6D-2        0.00000   0.20040  -0.53875   0.00000   0.00000
  15 2   C  1S          0.00155   0.00000   0.00000  -0.00224   0.05603
  16        2S          0.15242   0.00000   0.00000   0.47737   0.59164
  17        3S         -1.07487   0.00000   0.00000   0.47077  -1.90273
  18        4PX         0.00000   0.15778   0.06884   0.00000   0.00000
  19        4PY        -0.58048   0.00000   0.00000  -0.52835   0.41430
  20        4PZ         0.10219   0.00000   0.00000   0.26011  -0.06548
  21        5PX         0.00000   0.08306   0.21589   0.00000   0.00000
  22        5PY        -0.55959   0.00000   0.00000  -0.37703   0.52714
  23        5PZ         0.67657   0.00000   0.00000   0.22026   1.89844
  24        6D 0        0.09674   0.00000   0.00000  -0.16796   0.22168
  25        6D+1        0.00000   0.22838  -0.07579   0.00000   0.00000
  26        6D-1       -0.18409   0.00000   0.00000  -0.39789  -0.19538
  27        6D+2       -0.00779   0.00000   0.00000  -0.35134   0.45089
  28        6D-2        0.00000   0.20040   0.53875   0.00000   0.00000
  29 3   C  1S         -0.00155   0.00000   0.00000   0.00224   0.05603
  30        2S         -0.15242   0.00000   0.00000  -0.47737   0.59164
  31        3S          1.07487   0.00000   0.00000  -0.47077  -1.90273
  32        4PX         0.00000  -0.15778  -0.06884   0.00000   0.00000
  33        4PY        -0.58048   0.00000   0.00000  -0.52835  -0.41430
  34        4PZ         0.10219   0.00000   0.00000   0.26011   0.06548
  35        5PX         0.00000  -0.08306  -0.21589   0.00000   0.00000
  36        5PY        -0.55959   0.00000   0.00000  -0.37703  -0.52714
  37        5PZ         0.67657   0.00000   0.00000   0.22026  -1.89844
  38        6D 0       -0.09674   0.00000   0.00000   0.16796   0.22168
  39        6D+1        0.00000   0.22838  -0.07579   0.00000   0.00000
  40        6D-1        0.18409   0.00000   0.00000   0.39789  -0.19538
  41        6D+2        0.00779   0.00000   0.00000   0.35134   0.45089
  42        6D-2        0.00000   0.20040   0.53875   0.00000   0.00000
  43 4   C  1S         -0.00155   0.00000   0.00000  -0.00224  -0.05603
  44        2S         -0.15242   0.00000   0.00000   0.47737  -0.59164
  45        3S          1.07487   0.00000   0.00000   0.47077   1.90273
  46        4PX         0.00000   0.15778  -0.06884   0.00000   0.00000
  47        4PY         0.58048   0.00000   0.00000  -0.52835  -0.41430
  48        4PZ         0.10219   0.00000   0.00000  -0.26011  -0.06548
  49        5PX         0.00000   0.08306  -0.21589   0.00000   0.00000
  50        5PY         0.55959   0.00000   0.00000  -0.37703  -0.52714
  51        5PZ         0.67657   0.00000   0.00000  -0.22026   1.89844
  52        6D 0       -0.09674   0.00000   0.00000  -0.16796  -0.22168
  53        6D+1        0.00000  -0.22838  -0.07579   0.00000   0.00000
  54        6D-1       -0.18409   0.00000   0.00000   0.39789  -0.19538
  55        6D+2        0.00779   0.00000   0.00000  -0.35134  -0.45089
  56        6D-2        0.00000   0.20040  -0.53875   0.00000   0.00000
  57 5   N  1S         -0.03149   0.00000   0.00000   0.00000   0.00000
  58        2S         -0.43884   0.00000   0.00000   0.00000   0.00000
  59        3S          1.54263   0.00000   0.00000   0.00000   0.00000
  60        4PX         0.00000   0.00000  -0.03631   0.00000   0.00000
  61        4PY         0.00000   0.00000   0.00000  -0.10149  -0.46784
  62        4PZ         0.01492   0.00000   0.00000   0.00000   0.00000
  63        5PX         0.00000   0.00000  -0.43733   0.00000   0.00000
  64        5PY         0.00000   0.00000   0.00000   0.04705   1.63716
  65        5PZ        -0.85926   0.00000   0.00000   0.00000   0.00000
  66        6D 0        0.36549   0.00000   0.00000   0.00000   0.00000
  67        6D+1        0.00000   0.00000   0.69450   0.00000   0.00000
  68        6D-1        0.00000   0.00000   0.00000  -0.10067  -0.35917
  69        6D+2       -0.31987   0.00000   0.00000   0.00000   0.00000
  70        6D-2        0.00000   0.80081   0.00000   0.00000   0.00000
  71 6   N  1S          0.03149   0.00000   0.00000   0.00000   0.00000
  72        2S          0.43884   0.00000   0.00000   0.00000   0.00000
  73        3S         -1.54263   0.00000   0.00000   0.00000   0.00000
  74        4PX         0.00000   0.00000   0.03631   0.00000   0.00000
  75        4PY         0.00000   0.00000   0.00000  -0.10149   0.46784
  76        4PZ         0.01492   0.00000   0.00000   0.00000   0.00000
  77        5PX         0.00000   0.00000   0.43733   0.00000   0.00000
  78        5PY         0.00000   0.00000   0.00000   0.04705  -1.63716
  79        5PZ        -0.85926   0.00000   0.00000   0.00000   0.00000
  80        6D 0       -0.36549   0.00000   0.00000   0.00000   0.00000
  81        6D+1        0.00000   0.00000   0.69450   0.00000   0.00000
  82        6D-1        0.00000   0.00000   0.00000   0.10067  -0.35917
  83        6D+2        0.31987   0.00000   0.00000   0.00000   0.00000
  84        6D-2        0.00000   0.80081   0.00000   0.00000   0.00000
  85 7   H  1S         -0.40390   0.00000   0.00000   0.85586  -0.30781
  86        2S         -0.39577   0.00000   0.00000   0.38272   0.06313
  87        3PX         0.00000   0.05798   0.24287   0.00000   0.00000
  88        3PY         0.54765   0.00000   0.00000  -0.64771   0.02495
  89        3PZ         0.18196   0.00000   0.00000  -0.48160   0.46983
  90 8   H  1S         -0.40390   0.00000   0.00000  -0.85586   0.30781
  91        2S         -0.39577   0.00000   0.00000  -0.38272  -0.06313
  92        3PX         0.00000  -0.05798   0.24287   0.00000   0.00000
  93        3PY        -0.54765   0.00000   0.00000  -0.64771   0.02495
  94        3PZ         0.18196   0.00000   0.00000   0.48160  -0.46983
  95 9   H  1S          0.40390   0.00000   0.00000   0.85586   0.30781
  96        2S          0.39577   0.00000   0.00000   0.38272  -0.06313
  97        3PX         0.00000   0.05798  -0.24287   0.00000   0.00000
  98        3PY        -0.54765   0.00000   0.00000  -0.64771  -0.02495
  99        3PZ         0.18196   0.00000   0.00000   0.48160   0.46983
 100 10  H  1S          0.40390   0.00000   0.00000  -0.85586  -0.30781
 101        2S          0.39577   0.00000   0.00000  -0.38272   0.06313
 102        3PX         0.00000  -0.05798  -0.24287   0.00000   0.00000
 103        3PY         0.54765   0.00000   0.00000  -0.64771  -0.02495
 104        3PZ         0.18196   0.00000   0.00000  -0.48160  -0.46983
                          96        97        98        99       100
                        (AU)--V  (B1U)--V   (AG)--V  (B2U)--V   (AG)--V
     Eigenvalues --     2.85629   2.87712   2.89885   3.13151   3.17666
   1 1   C  1S          0.00000  -0.05405   0.00481  -0.00943   0.02725
   2        2S          0.00000   0.00896  -0.51745  -0.50207   0.07390
   3        3S          0.00000   2.90894  -0.96607  -0.55701  -0.54949
   4        4PX        -0.01598   0.00000   0.00000   0.00000   0.00000
   5        4PY         0.00000   0.00686  -0.17801   0.48604   0.25872
   6        4PZ         0.00000   0.34667  -0.33003  -0.08853  -0.34811
   7        5PX         0.01764   0.00000   0.00000   0.00000   0.00000
   8        5PY         0.00000  -0.05557   0.10210   0.21483   0.23668
   9        5PZ         0.00000  -0.94512  -0.15399  -0.39093  -0.16679
  10        6D 0        0.00000  -0.23432   0.13019   0.24669  -0.45398
  11        6D+1       -0.48911   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000  -0.43950  -0.32412   0.25438   0.20808
  13        6D+2        0.00000  -0.67086   0.38703   0.15213  -0.07925
  14        6D-2        0.33311   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S          0.00000  -0.05405   0.00481   0.00943   0.02725
  16        2S          0.00000   0.00896  -0.51745   0.50207   0.07390
  17        3S          0.00000   2.90894  -0.96607   0.55701  -0.54949
  18        4PX         0.01598   0.00000   0.00000   0.00000   0.00000
  19        4PY         0.00000  -0.00686   0.17801   0.48604  -0.25872
  20        4PZ         0.00000   0.34667  -0.33003   0.08853  -0.34811
  21        5PX        -0.01764   0.00000   0.00000   0.00000   0.00000
  22        5PY         0.00000   0.05557  -0.10210   0.21483  -0.23668
  23        5PZ         0.00000  -0.94512  -0.15399   0.39093  -0.16679
  24        6D 0        0.00000  -0.23432   0.13019  -0.24669  -0.45398
  25        6D+1        0.48911   0.00000   0.00000   0.00000   0.00000
  26        6D-1        0.00000   0.43950   0.32412   0.25438  -0.20808
  27        6D+2        0.00000  -0.67086   0.38703  -0.15213  -0.07925
  28        6D-2        0.33311   0.00000   0.00000   0.00000   0.00000
  29 3   C  1S          0.00000   0.05405   0.00481  -0.00943   0.02725
  30        2S          0.00000  -0.00896  -0.51745  -0.50207   0.07390
  31        3S          0.00000  -2.90894  -0.96607  -0.55701  -0.54949
  32        4PX         0.01598   0.00000   0.00000   0.00000   0.00000
  33        4PY         0.00000  -0.00686  -0.17801   0.48604   0.25872
  34        4PZ         0.00000   0.34667   0.33003   0.08853   0.34811
  35        5PX        -0.01764   0.00000   0.00000   0.00000   0.00000
  36        5PY         0.00000   0.05557   0.10210   0.21483   0.23668
  37        5PZ         0.00000  -0.94512   0.15399   0.39093   0.16679
  38        6D 0        0.00000   0.23432   0.13019   0.24669  -0.45398
  39        6D+1       -0.48911   0.00000   0.00000   0.00000   0.00000
  40        6D-1        0.00000  -0.43950   0.32412  -0.25438  -0.20808
  41        6D+2        0.00000   0.67086   0.38703   0.15213  -0.07925
  42        6D-2       -0.33311   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S          0.00000   0.05405   0.00481   0.00943   0.02725
  44        2S          0.00000  -0.00896  -0.51745   0.50207   0.07390
  45        3S          0.00000  -2.90894  -0.96607   0.55701  -0.54949
  46        4PX        -0.01598   0.00000   0.00000   0.00000   0.00000
  47        4PY         0.00000   0.00686   0.17801   0.48604  -0.25872
  48        4PZ         0.00000   0.34667   0.33003  -0.08853   0.34811
  49        5PX         0.01764   0.00000   0.00000   0.00000   0.00000
  50        5PY         0.00000  -0.05557  -0.10210   0.21483  -0.23668
  51        5PZ         0.00000  -0.94512   0.15399  -0.39093   0.16679
  52        6D 0        0.00000   0.23432   0.13019  -0.24669  -0.45398
  53        6D+1        0.48911   0.00000   0.00000   0.00000   0.00000
  54        6D-1        0.00000   0.43950  -0.32412  -0.25438   0.20808
  55        6D+2        0.00000   0.67086   0.38703  -0.15213  -0.07925
  56        6D-2       -0.33311   0.00000   0.00000   0.00000   0.00000
  57 5   N  1S          0.00000   0.03646  -0.05041   0.00000  -0.04038
  58        2S          0.00000  -0.27371  -0.71779   0.00000  -0.34112
  59        3S          0.00000  -1.45434   1.96611   0.00000   1.52027
  60        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000   0.00000   0.00000   0.13675   0.00000
  62        4PZ         0.00000   0.34112   0.02406   0.00000   0.00011
  63        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000   0.00000   0.00000   1.19524   0.00000
  65        5PZ         0.00000   0.85242  -0.84998   0.00000  -0.17263
  66        6D 0        0.00000  -0.19987   0.43874   0.00000  -0.54909
  67        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.00000   0.00000  -0.96650   0.00000
  69        6D+2        0.00000   0.39866  -0.36109   0.00000  -0.68002
  70        6D-2        0.80382   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000  -0.03646  -0.05041   0.00000  -0.04038
  72        2S          0.00000   0.27371  -0.71779   0.00000  -0.34112
  73        3S          0.00000   1.45434   1.96611   0.00000   1.52027
  74        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000   0.00000   0.00000   0.13675   0.00000
  76        4PZ         0.00000   0.34112  -0.02406   0.00000  -0.00011
  77        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000   0.00000   0.00000   1.19524   0.00000
  79        5PZ         0.00000   0.85242   0.84998   0.00000   0.17263
  80        6D 0        0.00000   0.19987   0.43874   0.00000  -0.54909
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.00000   0.00000   0.96650   0.00000
  83        6D+2        0.00000  -0.39866  -0.36109   0.00000  -0.68002
  84        6D-2       -0.80382   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.00000  -0.43517   0.69002  -0.05564  -0.11807
  86        2S          0.00000  -0.16730   0.21224  -0.03795   0.02201
  87        3PX        -0.01797   0.00000   0.00000   0.00000   0.00000
  88        3PY         0.00000   0.10738  -0.52118   0.15644  -0.07945
  89        3PZ         0.00000   0.52621  -0.33163  -0.04617   0.26413
  90 8   H  1S          0.00000  -0.43517   0.69002   0.05564  -0.11807
  91        2S          0.00000  -0.16730   0.21224   0.03795   0.02201
  92        3PX         0.01797   0.00000   0.00000   0.00000   0.00000
  93        3PY         0.00000  -0.10738   0.52118   0.15644   0.07945
  94        3PZ         0.00000   0.52621  -0.33163   0.04617   0.26413
  95 9   H  1S          0.00000   0.43517   0.69002  -0.05564  -0.11807
  96        2S          0.00000   0.16730   0.21224  -0.03795   0.02201
  97        3PX         0.01797   0.00000   0.00000   0.00000   0.00000
  98        3PY         0.00000  -0.10738  -0.52118   0.15644  -0.07945
  99        3PZ         0.00000   0.52621   0.33163   0.04617  -0.26413
 100 10  H  1S          0.00000   0.43517   0.69002   0.05564  -0.11807
 101        2S          0.00000   0.16730   0.21224   0.03795   0.02201
 102        3PX        -0.01797   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.00000   0.10738   0.52118   0.15644   0.07945
 104        3PZ         0.00000   0.52621   0.33163  -0.04617  -0.26413
                         101       102       103       104
                       (B1U)--V  (B3G)--V  (B3G)--V  (B1U)--V
     Eigenvalues --     3.20414   3.23599   3.32525   3.77329
   1 1   C  1S          0.01988  -0.03369  -0.02656   0.00292
   2        2S         -0.58007   0.05392   0.11043  -0.10175
   3        3S         -2.31451   1.36091   1.23726   0.23129
   4        4PX         0.00000   0.00000   0.00000   0.00000
   5        4PY         0.06776  -0.23386   0.40008   0.25539
   6        4PZ        -0.04839   0.47576   0.22636   0.20287
   7        5PX         0.00000   0.00000   0.00000   0.00000
   8        5PY         0.90985  -0.60329   0.12618   0.44549
   9        5PZ         0.27971   0.16703  -0.23887  -0.13486
  10        6D 0       -0.47652  -0.44882  -0.03525  -0.50156
  11        6D+1        0.00000   0.00000   0.00000   0.00000
  12        6D-1       -0.45903  -0.32789   1.12829   1.08378
  13        6D+2        0.17228  -0.50918  -0.39637  -0.28288
  14        6D-2        0.00000   0.00000   0.00000   0.00000
  15 2   C  1S          0.01988   0.03369   0.02656   0.00292
  16        2S         -0.58007  -0.05392  -0.11043  -0.10175
  17        3S         -2.31451  -1.36091  -1.23726   0.23129
  18        4PX         0.00000   0.00000   0.00000   0.00000
  19        4PY        -0.06776  -0.23386   0.40008  -0.25539
  20        4PZ        -0.04839  -0.47576  -0.22636   0.20287
  21        5PX         0.00000   0.00000   0.00000   0.00000
  22        5PY        -0.90985  -0.60329   0.12618  -0.44549
  23        5PZ         0.27971  -0.16703   0.23887  -0.13486
  24        6D 0       -0.47652   0.44882   0.03525  -0.50156
  25        6D+1        0.00000   0.00000   0.00000   0.00000
  26        6D-1        0.45903  -0.32789   1.12829  -1.08378
  27        6D+2        0.17228   0.50918   0.39637  -0.28288
  28        6D-2        0.00000   0.00000   0.00000   0.00000
  29 3   C  1S         -0.01988   0.03369   0.02656  -0.00292
  30        2S          0.58007  -0.05392  -0.11043   0.10175
  31        3S          2.31451  -1.36091  -1.23726  -0.23129
  32        4PX         0.00000   0.00000   0.00000   0.00000
  33        4PY        -0.06776   0.23386  -0.40008  -0.25539
  34        4PZ        -0.04839   0.47576   0.22636   0.20287
  35        5PX         0.00000   0.00000   0.00000   0.00000
  36        5PY        -0.90985   0.60329  -0.12618  -0.44549
  37        5PZ         0.27971   0.16703  -0.23887  -0.13486
  38        6D 0        0.47652   0.44882   0.03525   0.50156
  39        6D+1        0.00000   0.00000   0.00000   0.00000
  40        6D-1       -0.45903  -0.32789   1.12829   1.08378
  41        6D+2       -0.17228   0.50918   0.39637   0.28288
  42        6D-2        0.00000   0.00000   0.00000   0.00000
  43 4   C  1S         -0.01988  -0.03369  -0.02656  -0.00292
  44        2S          0.58007   0.05392   0.11043   0.10175
  45        3S          2.31451   1.36091   1.23726  -0.23129
  46        4PX         0.00000   0.00000   0.00000   0.00000
  47        4PY         0.06776   0.23386  -0.40008   0.25539
  48        4PZ        -0.04839  -0.47576  -0.22636   0.20287
  49        5PX         0.00000   0.00000   0.00000   0.00000
  50        5PY         0.90985   0.60329  -0.12618   0.44549
  51        5PZ         0.27971  -0.16703   0.23887  -0.13486
  52        6D 0        0.47652  -0.44882  -0.03525   0.50156
  53        6D+1        0.00000   0.00000   0.00000   0.00000
  54        6D-1        0.45903  -0.32789   1.12829  -1.08378
  55        6D+2       -0.17228  -0.50918  -0.39637   0.28288
  56        6D-2        0.00000   0.00000   0.00000   0.00000
  57 5   N  1S         -0.07845   0.00000   0.00000  -0.00974
  58        2S         -1.11783   0.00000   0.00000   0.28270
  59        3S          3.36716   0.00000   0.00000   0.80351
  60        4PX         0.00000   0.00000   0.00000   0.00000
  61        4PY         0.00000  -0.32079   0.38927   0.00000
  62        4PZ         0.12794   0.00000   0.00000  -0.07267
  63        5PX         0.00000   0.00000   0.00000   0.00000
  64        5PY         0.00000  -1.15058   0.13611   0.00000
  65        5PZ        -1.00185   0.00000   0.00000   0.15944
  66        6D 0       -0.03461   0.00000   0.00000  -0.77449
  67        6D+1        0.00000   0.00000   0.00000   0.00000
  68        6D-1        0.00000   0.95064  -0.08546   0.00000
  69        6D+2       -0.57056   0.00000   0.00000  -0.56450
  70        6D-2        0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.07845   0.00000   0.00000   0.00974
  72        2S          1.11783   0.00000   0.00000  -0.28270
  73        3S         -3.36716   0.00000   0.00000  -0.80351
  74        4PX         0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000   0.32079  -0.38927   0.00000
  76        4PZ         0.12794   0.00000   0.00000  -0.07267
  77        5PX         0.00000   0.00000   0.00000   0.00000
  78        5PY         0.00000   1.15058  -0.13611   0.00000
  79        5PZ        -1.00185   0.00000   0.00000   0.15944
  80        6D 0        0.03461   0.00000   0.00000   0.77449
  81        6D+1        0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.95064  -0.08546   0.00000
  83        6D+2        0.57056   0.00000   0.00000   0.56450
  84        6D-2        0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.46538  -0.18445  -1.04590  -0.79594
  86        2S         -0.02062   0.00099  -0.17390  -0.12926
  87        3PX         0.00000   0.00000   0.00000   0.00000
  88        3PY        -0.51571  -0.02155   0.69468   0.36750
  89        3PZ         0.02821   0.30544   0.22769   0.24444
  90 8   H  1S          0.46538   0.18445   1.04590  -0.79594
  91        2S         -0.02062  -0.00099   0.17390  -0.12926
  92        3PX         0.00000   0.00000   0.00000   0.00000
  93        3PY         0.51571  -0.02155   0.69468  -0.36750
  94        3PZ         0.02821  -0.30544  -0.22769   0.24444
  95 9   H  1S         -0.46538   0.18445   1.04590   0.79594
  96        2S          0.02062  -0.00099   0.17390   0.12926
  97        3PX         0.00000   0.00000   0.00000   0.00000
  98        3PY         0.51571   0.02155  -0.69468  -0.36750
  99        3PZ         0.02821   0.30544   0.22769   0.24444
 100 10  H  1S         -0.46538  -0.18445  -1.04590   0.79594
 101        2S          0.02062   0.00099  -0.17390   0.12926
 102        3PX         0.00000   0.00000   0.00000   0.00000
 103        3PY        -0.51571   0.02155  -0.69468   0.36750
 104        3PZ         0.02821  -0.30544  -0.22769   0.24444
     Alpha Density Matrix:
                           1         2         3         4         5
   1 1   C  1S          1.03084
   2        2S         -0.05629   0.15265
   3        3S         -0.05578   0.10394   0.08249
   4        4PX         0.00000   0.00000   0.00000   0.14945
   5        4PY        -0.00200  -0.00093   0.01718   0.00000   0.19611
   6        4PZ         0.00267  -0.00571  -0.01208   0.00000   0.00262
   7        5PX         0.00000   0.00000   0.00000   0.10849   0.00000
   8        5PY        -0.00396   0.00421   0.00627   0.00000   0.06305
   9        5PZ         0.01082  -0.01905  -0.01796   0.00000   0.00972
  10        6D 0       -0.00109   0.00284   0.00282   0.00000   0.00141
  11        6D+1        0.00000   0.00000   0.00000  -0.00366   0.00000
  12        6D-1        0.00088  -0.00191   0.00009   0.00000   0.01515
  13        6D+2        0.00136  -0.00433  -0.00146   0.00000   0.00502
  14        6D-2        0.00000   0.00000   0.00000  -0.00872   0.00000
  15 2   C  1S         -0.00167   0.00274   0.00885   0.00000  -0.00666
  16        2S          0.00274  -0.00537  -0.01296   0.00000   0.01751
  17        3S          0.00885  -0.01296  -0.01145   0.00000   0.02422
  18        4PX         0.00000   0.00000   0.00000  -0.01580   0.00000
  19        4PY         0.00666  -0.01751  -0.02422   0.00000   0.02751
  20        4PZ         0.00209  -0.00300  -0.01133   0.00000   0.00780
  21        5PX         0.00000   0.00000   0.00000  -0.02102   0.00000
  22        5PY         0.01153  -0.02278  -0.01833   0.00000   0.02675
  23        5PZ        -0.00534   0.00693   0.00389   0.00000   0.00608
  24        6D 0        0.00176  -0.00407  -0.00140   0.00000   0.00770
  25        6D+1        0.00000   0.00000   0.00000   0.00721   0.00000
  26        6D-1        0.00141  -0.00352  -0.00310   0.00000   0.00575
  27        6D+2        0.00051  -0.00161   0.00071   0.00000   0.00569
  28        6D-2        0.00000   0.00000   0.00000   0.00658   0.00000
  29 3   C  1S          0.00819  -0.01712  -0.00040   0.00000   0.00096
  30        2S         -0.01712   0.03288   0.00241   0.00000  -0.00433
  31        3S         -0.00040   0.00241  -0.01063   0.00000  -0.00289
  32        4PX         0.00000   0.00000   0.00000   0.10197   0.00000
  33        4PY         0.00096  -0.00433  -0.00289   0.00000   0.00733
  34        4PZ        -0.03791   0.07876   0.07341   0.00000  -0.00028
  35        5PX         0.00000   0.00000   0.00000   0.06982   0.00000
  36        5PY         0.00497  -0.00935  -0.00950   0.00000   0.00413
  37        5PZ        -0.00514   0.01303   0.01119   0.00000   0.00197
  38        6D 0       -0.00492   0.00951   0.00817   0.00000   0.00024
  39        6D+1        0.00000   0.00000   0.00000   0.00962   0.00000
  40        6D-1       -0.00035   0.00065   0.00189   0.00000   0.01025
  41        6D+2       -0.00107   0.00276   0.00372   0.00000  -0.00038
  42        6D-2        0.00000   0.00000   0.00000  -0.00125   0.00000
  43 4   C  1S         -0.00167   0.00364  -0.00277   0.00000  -0.00368
  44        2S          0.00364  -0.00762  -0.00019   0.00000   0.00683
  45        3S         -0.00277  -0.00019   0.00863   0.00000   0.01269
  46        4PX         0.00000   0.00000   0.00000  -0.06328   0.00000
  47        4PY         0.00368  -0.00683  -0.01269   0.00000   0.00405
  48        4PZ         0.00175  -0.00524  -0.00586   0.00000   0.01220
  49        5PX         0.00000   0.00000   0.00000  -0.05968   0.00000
  50        5PY        -0.00187   0.00347   0.00343   0.00000  -0.00168
  51        5PZ        -0.00077  -0.00169   0.00084   0.00000   0.00904
  52        6D 0       -0.00065   0.00122   0.00209   0.00000  -0.00005
  53        6D+1        0.00000   0.00000   0.00000  -0.00124   0.00000
  54        6D-1        0.00066  -0.00166  -0.00276   0.00000   0.00189
  55        6D+2       -0.00022   0.00031   0.00083   0.00000   0.00021
  56        6D-2        0.00000   0.00000   0.00000  -0.00090   0.00000
  57 5   N  1S          0.00633  -0.01061   0.00545   0.00000   0.02507
  58        2S         -0.01051   0.01723  -0.00653   0.00000  -0.05063
  59        3S         -0.01059   0.00937  -0.00705   0.00000  -0.04154
  60        4PX         0.00000   0.00000   0.00000   0.10199   0.00000
  61        4PY        -0.03136   0.06741   0.04653   0.00000  -0.11597
  62        4PZ         0.02213  -0.05133  -0.01394   0.00000   0.08619
  63        5PX         0.00000   0.00000   0.00000   0.07144   0.00000
  64        5PY        -0.01501   0.02887   0.01951   0.00000  -0.05056
  65        5PZ         0.01592  -0.03471  -0.00935   0.00000   0.05239
  66        6D 0       -0.00069   0.00145   0.00012   0.00000  -0.00565
  67        6D+1        0.00000   0.00000   0.00000  -0.00781   0.00000
  68        6D-1        0.00373  -0.00768  -0.00539   0.00000   0.01068
  69        6D+2        0.00205  -0.00345  -0.00143   0.00000   0.00086
  70        6D-2        0.00000   0.00000   0.00000   0.00664   0.00000
  71 6   N  1S         -0.00061   0.00052  -0.00484   0.00000  -0.00182
  72        2S          0.00076  -0.00066   0.00792   0.00000   0.00298
  73        3S          0.00253  -0.00201   0.01233   0.00000   0.01248
  74        4PX         0.00000   0.00000   0.00000  -0.00154   0.00000
  75        4PY         0.00337  -0.00799  -0.01857   0.00000   0.00480
  76        4PZ         0.00909  -0.01823  -0.04273   0.00000   0.00321
  77        5PX         0.00000   0.00000   0.00000  -0.00603   0.00000
  78        5PY         0.00196  -0.00372  -0.00844   0.00000   0.00497
  79        5PZ         0.00898  -0.01767  -0.03606   0.00000   0.00305
  80        6D 0       -0.00034   0.00082  -0.00034   0.00000   0.00034
  81        6D+1        0.00000   0.00000   0.00000   0.00092   0.00000
  82        6D-1       -0.00056   0.00124  -0.00020   0.00000  -0.00069
  83        6D+2       -0.00073   0.00141   0.00190   0.00000   0.00062
  84        6D-2        0.00000   0.00000   0.00000   0.00664   0.00000
  85 7   H  1S         -0.04127   0.08094   0.06252   0.00000   0.14291
  86        2S         -0.00595   0.01381   0.01062   0.00000   0.04612
  87        3PX         0.00000   0.00000   0.00000   0.00512   0.00000
  88        3PY         0.00480  -0.00858  -0.00614   0.00000  -0.00746
  89        3PZ         0.00270  -0.00512  -0.00439   0.00000  -0.00779
  90 8   H  1S         -0.00380   0.01274   0.00558   0.00000  -0.02051
  91        2S          0.00131   0.00063  -0.00214   0.00000  -0.01460
  92        3PX         0.00000   0.00000   0.00000  -0.00071   0.00000
  93        3PY        -0.00017   0.00052  -0.00012   0.00000  -0.00006
  94        3PZ        -0.00004   0.00011  -0.00028   0.00000  -0.00091
  95 9   H  1S          0.00870  -0.02041  -0.03700   0.00000  -0.00846
  96        2S          0.00449  -0.00928  -0.01426   0.00000  -0.01223
  97        3PX         0.00000   0.00000   0.00000   0.00353   0.00000
  98        3PY        -0.00050   0.00093   0.00234   0.00000  -0.00123
  99        3PZ        -0.00056   0.00120   0.00030   0.00000  -0.00051
 100 10  H  1S         -0.00061   0.00113   0.00669   0.00000  -0.00289
 101        2S         -0.00097   0.00161   0.00199   0.00000  -0.00013
 102        3PX         0.00000   0.00000   0.00000  -0.00229   0.00000
 103        3PY        -0.00005   0.00012   0.00079   0.00000  -0.00045
 104        3PZ         0.00001   0.00002   0.00073   0.00000   0.00020
                           6         7         8         9        10
   6        4PZ         0.20668
   7        5PX         0.00000   0.08032
   8        5PY         0.01540   0.00000   0.02792
   9        5PZ         0.05353   0.00000   0.00529   0.01892
  10        6D 0       -0.01335   0.00000  -0.00263  -0.00303   0.00186
  11        6D+1        0.00000  -0.00251   0.00000   0.00000   0.00000
  12        6D-1       -0.00289   0.00000   0.00613  -0.00004  -0.00044
  13        6D+2       -0.00765   0.00000  -0.00036  -0.00097   0.00099
  14        6D-2        0.00000  -0.00610   0.00000   0.00000   0.00000
  15 2   C  1S          0.00209   0.00000  -0.01153  -0.00534   0.00176
  16        2S         -0.00300   0.00000   0.02278   0.00693  -0.00407
  17        3S         -0.01133   0.00000   0.01833   0.00389  -0.00140
  18        4PX         0.00000  -0.02102   0.00000   0.00000   0.00000
  19        4PY        -0.00780   0.00000   0.02675  -0.00608  -0.00770
  20        4PZ        -0.00089   0.00000   0.00927   0.00526  -0.00374
  21        5PX         0.00000  -0.02118   0.00000   0.00000   0.00000
  22        5PY        -0.00927   0.00000   0.00948   0.00027  -0.00064
  23        5PZ         0.00526   0.00000  -0.00027   0.00239   0.00007
  24        6D 0       -0.00374   0.00000   0.00064   0.00007   0.00091
  25        6D+1        0.00000   0.00600   0.00000   0.00000   0.00000
  26        6D-1       -0.00344   0.00000   0.00250  -0.00051  -0.00012
  27        6D+2       -0.00106   0.00000  -0.00006   0.00008   0.00077
  28        6D-2        0.00000   0.00442   0.00000   0.00000   0.00000
  29 3   C  1S          0.03791   0.00000   0.00497   0.00514  -0.00492
  30        2S         -0.07876   0.00000  -0.00935  -0.01303   0.00951
  31        3S         -0.07341   0.00000  -0.00950  -0.01119   0.00817
  32        4PX         0.00000   0.06982   0.00000   0.00000   0.00000
  33        4PY         0.00028   0.00000   0.00413  -0.00197   0.00024
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  79        5PZ         0.00000   0.00267  -0.00204  -0.02020   0.00000
  80        6D 0        0.00000   0.00047  -0.00093  -0.00199   0.00000
  81        6D+1        0.00094   0.00000   0.00000   0.00000  -0.00243
  82        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  83        6D+2        0.00000   0.00026  -0.00062  -0.00018   0.00000
  84        6D-2       -0.00009   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.00000   0.00868  -0.02112  -0.02568   0.00000
  86        2S          0.00000   0.00438  -0.00841  -0.01085   0.00000
  87        3PX        -0.00003   0.00000   0.00000   0.00000   0.00338
  88        3PY         0.00000   0.00072  -0.00081  -0.00046   0.00000
  89        3PZ         0.00000  -0.00054   0.00095   0.00061   0.00000
  90 8   H  1S          0.00000   0.00868  -0.02112  -0.02568   0.00000
  91        2S          0.00000   0.00438  -0.00841  -0.01085   0.00000
  92        3PX         0.00004   0.00000   0.00000   0.00000   0.00338
  93        3PY         0.00000  -0.00072   0.00081   0.00046   0.00000
  94        3PZ         0.00000  -0.00054   0.00095   0.00061   0.00000
  95 9   H  1S          0.00000  -0.00208   0.00434   0.00549   0.00000
  96        2S          0.00000  -0.00034  -0.00043  -0.00178   0.00000
  97        3PX         0.00022   0.00000   0.00000   0.00000  -0.00008
  98        3PY         0.00000  -0.00020   0.00023   0.00008   0.00000
  99        3PZ         0.00000  -0.00023   0.00042   0.00094   0.00000
 100 10  H  1S          0.00000  -0.00208   0.00434   0.00549   0.00000
 101        2S          0.00000  -0.00034  -0.00043  -0.00178   0.00000
 102        3PX         0.00029   0.00000   0.00000   0.00000  -0.00008
 103        3PY         0.00000   0.00020  -0.00023  -0.00008   0.00000
 104        3PZ         0.00000  -0.00023   0.00042   0.00094   0.00000
                          61        62        63        64        65
  61        4PY         0.21662
  62        4PZ         0.00000   0.31431
  63        5PX         0.00000   0.00000   0.08803
  64        5PY         0.09702   0.00000   0.00000   0.04367
  65        5PZ         0.00000   0.23849   0.00000   0.00000   0.18564
  66        6D 0        0.00000  -0.01223   0.00000   0.00000  -0.00852
  67        6D+1        0.00000   0.00000  -0.00894   0.00000   0.00000
  68        6D-1       -0.01820   0.00000   0.00000  -0.00801   0.00000
  69        6D+2        0.00000   0.00651   0.00000   0.00000   0.00509
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000  -0.00257   0.00000   0.00000  -0.00267
  72        2S          0.00000   0.00222   0.00000   0.00000   0.00204
  73        3S          0.00000   0.02613   0.00000   0.00000   0.02020
  74        4PX         0.00000   0.00000  -0.04633   0.00000   0.00000
  75        4PY        -0.00766   0.00000   0.00000  -0.00362   0.00000
  76        4PZ         0.00000   0.00954   0.00000   0.00000  -0.00055
  77        5PX         0.00000   0.00000  -0.03837   0.00000   0.00000
  78        5PY        -0.00362   0.00000   0.00000  -0.00154   0.00000
  79        5PZ         0.00000  -0.00055   0.00000   0.00000  -0.00865
  80        6D 0        0.00000   0.00115   0.00000   0.00000   0.00102
  81        6D+1        0.00000   0.00000  -0.00231   0.00000   0.00000
  82        6D-1       -0.00061   0.00000   0.00000  -0.00043   0.00000
  83        6D+2        0.00000   0.00082   0.00000   0.00000   0.00098
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S         -0.02475  -0.01288   0.00000  -0.00967  -0.02292
  86        2S         -0.01519  -0.00585   0.00000  -0.00637  -0.00923
  87        3PX         0.00000   0.00000   0.00237   0.00000   0.00000
  88        3PY        -0.00179   0.00135   0.00000  -0.00089   0.00168
  89        3PZ         0.00138  -0.00421   0.00000   0.00062  -0.00283
  90 8   H  1S          0.02475  -0.01288   0.00000   0.00967  -0.02292
  91        2S          0.01519  -0.00585   0.00000   0.00637  -0.00923
  92        3PX         0.00000   0.00000   0.00237   0.00000   0.00000
  93        3PY        -0.00179  -0.00135   0.00000  -0.00089  -0.00168
  94        3PZ        -0.00138  -0.00421   0.00000  -0.00062  -0.00283
  95 9   H  1S          0.01318  -0.01925   0.00000   0.00943  -0.01888
  96        2S          0.01005  -0.02041   0.00000   0.00570  -0.01736
  97        3PX         0.00000   0.00000  -0.00022   0.00000   0.00000
  98        3PY         0.00057   0.00025   0.00000   0.00003   0.00053
  99        3PZ         0.00031   0.00039   0.00000   0.00023   0.00052
 100 10  H  1S         -0.01318  -0.01925   0.00000  -0.00943  -0.01888
 101        2S         -0.01005  -0.02041   0.00000  -0.00570  -0.01736
 102        3PX         0.00000   0.00000  -0.00022   0.00000   0.00000
 103        3PY         0.00057  -0.00025   0.00000   0.00003  -0.00053
 104        3PZ        -0.00031   0.00039   0.00000  -0.00023   0.00052
                          66        67        68        69        70
  66        6D 0        0.00071
  67        6D+1        0.00000   0.00094
  68        6D-1        0.00000   0.00000   0.00170
  69        6D+2       -0.00005   0.00000   0.00000   0.00045
  70        6D-2        0.00000   0.00000   0.00000   0.00000   0.00053
  71 6   N  1S          0.00047   0.00000   0.00000   0.00026   0.00000
  72        2S         -0.00093   0.00000   0.00000  -0.00062   0.00000
  73        3S         -0.00199   0.00000   0.00000  -0.00018   0.00000
  74        4PX         0.00000   0.00243   0.00000   0.00000   0.00000
  75        4PY         0.00000   0.00000   0.00061   0.00000   0.00000
  76        4PZ        -0.00115   0.00000   0.00000  -0.00082   0.00000
  77        5PX         0.00000   0.00231   0.00000   0.00000   0.00000
  78        5PY         0.00000   0.00000   0.00043   0.00000   0.00000
  79        5PZ        -0.00102   0.00000   0.00000  -0.00098   0.00000
  80        6D 0        0.00002   0.00000   0.00000   0.00003   0.00000
  81        6D+1        0.00000   0.00006   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.00000  -0.00012   0.00000   0.00000
  83        6D+2        0.00003   0.00000   0.00000   0.00004   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00053
  85 7   H  1S         -0.00338   0.00000   0.00306  -0.00395   0.00000
  86        2S         -0.00099   0.00000   0.00171  -0.00111   0.00000
  87        3PX         0.00000  -0.00026   0.00000   0.00000   0.00023
  88        3PY         0.00022   0.00000   0.00011   0.00035   0.00000
  89        3PZ         0.00028   0.00000  -0.00007   0.00004   0.00000
  90 8   H  1S         -0.00338   0.00000  -0.00306  -0.00395   0.00000
  91        2S         -0.00099   0.00000  -0.00171  -0.00111   0.00000
  92        3PX         0.00000  -0.00026   0.00000   0.00000  -0.00023
  93        3PY        -0.00022   0.00000   0.00011  -0.00035   0.00000
  94        3PZ         0.00028   0.00000   0.00007   0.00004   0.00000
  95 9   H  1S          0.00047   0.00000   0.00009  -0.00003   0.00000
  96        2S          0.00054   0.00000  -0.00033  -0.00042   0.00000
  97        3PX         0.00000  -0.00003   0.00000   0.00000   0.00023
  98        3PY         0.00001   0.00000  -0.00010  -0.00002   0.00000
  99        3PZ         0.00006   0.00000  -0.00006   0.00008   0.00000
 100 10  H  1S          0.00047   0.00000  -0.00009  -0.00003   0.00000
 101        2S          0.00054   0.00000   0.00033  -0.00042   0.00000
 102        3PX         0.00000  -0.00003   0.00000   0.00000  -0.00023
 103        3PY        -0.00001   0.00000  -0.00010   0.00002   0.00000
 104        3PZ         0.00006   0.00000   0.00006   0.00008   0.00000
                          71        72        73        74        75
  71 6   N  1S          1.03874
  72        2S         -0.07582   0.19740
  73        3S         -0.10330   0.19923   0.20761
  74        4PX         0.00000   0.00000   0.00000   0.17143
  75        4PY         0.00000   0.00000   0.00000   0.00000   0.21662
  76        4PZ         0.02291  -0.05587  -0.08857   0.00000   0.00000
  77        5PX         0.00000   0.00000   0.00000   0.12259   0.00000
  78        5PY         0.00000   0.00000   0.00000   0.00000   0.09702
  79        5PZ         0.02089  -0.05956  -0.08420   0.00000   0.00000
  80        6D 0        0.00104  -0.00255  -0.00375   0.00000   0.00000
  81        6D+1        0.00000   0.00000   0.00000   0.01261   0.00000
  82        6D-1        0.00000   0.00000   0.00000   0.00000   0.01820
  83        6D+2        0.00147  -0.00351  -0.00256   0.00000   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S         -0.00208   0.00434   0.00549   0.00000   0.01318
  86        2S         -0.00034  -0.00043  -0.00178   0.00000   0.01005
  87        3PX         0.00000   0.00000   0.00000  -0.00008   0.00000
  88        3PY        -0.00020   0.00023   0.00008   0.00000   0.00057
  89        3PZ         0.00023  -0.00042  -0.00094   0.00000  -0.00031
  90 8   H  1S         -0.00208   0.00434   0.00549   0.00000  -0.01318
  91        2S         -0.00034  -0.00043  -0.00178   0.00000  -0.01005
  92        3PX         0.00000   0.00000   0.00000  -0.00008   0.00000
  93        3PY         0.00020  -0.00023  -0.00008   0.00000   0.00057
  94        3PZ         0.00023  -0.00042  -0.00094   0.00000   0.00031
  95 9   H  1S          0.00868  -0.02112  -0.02568   0.00000  -0.02475
  96        2S          0.00438  -0.00841  -0.01085   0.00000  -0.01519
  97        3PX         0.00000   0.00000   0.00000   0.00338   0.00000
  98        3PY         0.00072  -0.00081  -0.00046   0.00000  -0.00179
  99        3PZ         0.00054  -0.00095  -0.00061   0.00000  -0.00138
 100 10  H  1S          0.00868  -0.02112  -0.02568   0.00000   0.02475
 101        2S          0.00438  -0.00841  -0.01085   0.00000   0.01519
 102        3PX         0.00000   0.00000   0.00000   0.00338   0.00000
 103        3PY        -0.00072   0.00081   0.00046   0.00000  -0.00179
 104        3PZ         0.00054  -0.00095  -0.00061   0.00000   0.00138
                          76        77        78        79        80
  76        4PZ         0.31431
  77        5PX         0.00000   0.08803
  78        5PY         0.00000   0.00000   0.04367
  79        5PZ         0.23849   0.00000   0.00000   0.18564
  80        6D 0        0.01223   0.00000   0.00000   0.00852   0.00071
  81        6D+1        0.00000   0.00894   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.00000   0.00801   0.00000   0.00000
  83        6D+2       -0.00651   0.00000   0.00000  -0.00509  -0.00005
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.01925   0.00000   0.00943   0.01888   0.00047
  86        2S          0.02041   0.00000   0.00570   0.01736   0.00054
  87        3PX         0.00000  -0.00022   0.00000   0.00000   0.00000
  88        3PY        -0.00025   0.00000   0.00003  -0.00053   0.00001
  89        3PZ         0.00039   0.00000  -0.00023   0.00052  -0.00006
  90 8   H  1S          0.01925   0.00000  -0.00943   0.01888   0.00047
  91        2S          0.02041   0.00000  -0.00570   0.01736   0.00054
  92        3PX         0.00000  -0.00022   0.00000   0.00000   0.00000
  93        3PY         0.00025   0.00000   0.00003   0.00053  -0.00001
  94        3PZ         0.00039   0.00000   0.00023   0.00052  -0.00006
  95 9   H  1S          0.01288   0.00000  -0.00967   0.02292  -0.00338
  96        2S          0.00585   0.00000  -0.00637   0.00923  -0.00099
  97        3PX         0.00000   0.00237   0.00000   0.00000   0.00000
  98        3PY        -0.00135   0.00000  -0.00089  -0.00168   0.00022
  99        3PZ        -0.00421   0.00000  -0.00062  -0.00283  -0.00028
 100 10  H  1S          0.01288   0.00000   0.00967   0.02292  -0.00338
 101        2S          0.00585   0.00000   0.00637   0.00923  -0.00099
 102        3PX         0.00000   0.00237   0.00000   0.00000   0.00000
 103        3PY         0.00135   0.00000  -0.00089   0.00168  -0.00022
 104        3PZ        -0.00421   0.00000   0.00062  -0.00283  -0.00028
                          81        82        83        84        85
  81        6D+1        0.00094
  82        6D-1        0.00000   0.00170
  83        6D+2        0.00000   0.00000   0.00045
  84        6D-2        0.00000   0.00000   0.00000   0.00053
  85 7   H  1S          0.00000  -0.00009  -0.00003   0.00000   0.19368
  86        2S          0.00000   0.00033  -0.00042   0.00000   0.05904
  87        3PX         0.00003   0.00000   0.00000   0.00023   0.00000
  88        3PY         0.00000   0.00010  -0.00002   0.00000  -0.01322
  89        3PZ         0.00000  -0.00006  -0.00008   0.00000  -0.00808
  90 8   H  1S          0.00000   0.00009  -0.00003   0.00000  -0.00444
  91        2S          0.00000  -0.00033  -0.00042   0.00000  -0.00772
  92        3PX         0.00003   0.00000   0.00000  -0.00023   0.00000
  93        3PY         0.00000   0.00010   0.00002   0.00000   0.00049
  94        3PZ         0.00000   0.00006  -0.00008   0.00000   0.00010
  95 9   H  1S          0.00000  -0.00306  -0.00395   0.00000  -0.00955
  96        2S          0.00000  -0.00171  -0.00111   0.00000  -0.00626
  97        3PX         0.00026   0.00000   0.00000   0.00023   0.00000
  98        3PY         0.00000  -0.00011   0.00035   0.00000  -0.00048
  99        3PZ         0.00000  -0.00007  -0.00004   0.00000  -0.00161
 100 10  H  1S          0.00000   0.00306  -0.00395   0.00000   0.00496
 101        2S          0.00000   0.00171  -0.00111   0.00000   0.00666
 102        3PX         0.00026   0.00000   0.00000  -0.00023   0.00000
 103        3PY         0.00000  -0.00011  -0.00035   0.00000   0.00001
 104        3PZ         0.00000   0.00007  -0.00004   0.00000  -0.00023
                          86        87        88        89        90
  86        2S          0.02015
  87        3PX         0.00000   0.00018
  88        3PY        -0.00365   0.00000   0.00103
  89        3PZ        -0.00215   0.00000   0.00057   0.00051
  90 8   H  1S         -0.00772   0.00000  -0.00049   0.00010   0.19368
  91        2S         -0.00362   0.00000   0.00024   0.00047   0.05904
  92        3PX         0.00000  -0.00003   0.00000   0.00000   0.00000
  93        3PY        -0.00024   0.00000  -0.00006  -0.00002   0.01322
  94        3PZ         0.00047   0.00000   0.00002   0.00008  -0.00808
  95 9   H  1S         -0.00626   0.00000  -0.00048   0.00161   0.00496
  96        2S         -0.00263   0.00000   0.00002   0.00109   0.00666
  97        3PX         0.00000   0.00012   0.00000   0.00000   0.00000
  98        3PY         0.00002   0.00000   0.00007  -0.00001  -0.00001
  99        3PZ        -0.00109   0.00000   0.00001  -0.00001  -0.00023
 100 10  H  1S          0.00666   0.00000  -0.00001   0.00023  -0.00955
 101        2S          0.00461   0.00000  -0.00020   0.00012  -0.00626
 102        3PX         0.00000  -0.00008   0.00000   0.00000   0.00000
 103        3PY         0.00020   0.00000  -0.00001   0.00001   0.00048
 104        3PZ        -0.00012   0.00000   0.00001  -0.00001  -0.00161
                          91        92        93        94        95
  91        2S          0.02015
  92        3PX         0.00000   0.00018
  93        3PY         0.00365   0.00000   0.00103
  94        3PZ        -0.00215   0.00000  -0.00057   0.00051
  95 9   H  1S          0.00666   0.00000   0.00001   0.00023   0.19368
  96        2S          0.00461   0.00000   0.00020   0.00012   0.05904
  97        3PX         0.00000  -0.00008   0.00000   0.00000   0.00000
  98        3PY        -0.00020   0.00000  -0.00001  -0.00001  -0.01322
  99        3PZ        -0.00012   0.00000  -0.00001  -0.00001   0.00808
 100 10  H  1S         -0.00626   0.00000   0.00048   0.00161  -0.00444
 101        2S         -0.00263   0.00000  -0.00002   0.00109  -0.00772
 102        3PX         0.00000   0.00012   0.00000   0.00000   0.00000
 103        3PY        -0.00002   0.00000   0.00007   0.00001   0.00049
 104        3PZ        -0.00109   0.00000  -0.00001  -0.00001  -0.00010
                          96        97        98        99       100
  96        2S          0.02015
  97        3PX         0.00000   0.00018
  98        3PY        -0.00365   0.00000   0.00103
  99        3PZ         0.00215   0.00000  -0.00057   0.00051
 100 10  H  1S         -0.00772   0.00000  -0.00049  -0.00010   0.19368
 101        2S         -0.00362   0.00000   0.00024  -0.00047   0.05904
 102        3PX         0.00000  -0.00003   0.00000   0.00000   0.00000
 103        3PY        -0.00024   0.00000  -0.00006   0.00002   0.01322
 104        3PZ        -0.00047   0.00000  -0.00002   0.00008   0.00808
                         101       102       103       104
 101        2S          0.02015
 102        3PX         0.00000   0.00018
 103        3PY         0.00365   0.00000   0.00103
 104        3PZ         0.00215   0.00000   0.00057   0.00051
     Beta Density Matrix:
                           1         2         3         4         5
   1 1   C  1S          1.03084
   2        2S         -0.05629   0.15265
   3        3S         -0.05578   0.10394   0.08249
   4        4PX         0.00000   0.00000   0.00000   0.14945
   5        4PY        -0.00200  -0.00093   0.01718   0.00000   0.19611
   6        4PZ         0.00267  -0.00571  -0.01208   0.00000   0.00262
   7        5PX         0.00000   0.00000   0.00000   0.10849   0.00000
   8        5PY        -0.00396   0.00421   0.00627   0.00000   0.06305
   9        5PZ         0.01082  -0.01905  -0.01796   0.00000   0.00972
  10        6D 0       -0.00109   0.00284   0.00282   0.00000   0.00141
  11        6D+1        0.00000   0.00000   0.00000  -0.00366   0.00000
  12        6D-1        0.00088  -0.00191   0.00009   0.00000   0.01515
  13        6D+2        0.00136  -0.00433  -0.00146   0.00000   0.00502
  14        6D-2        0.00000   0.00000   0.00000  -0.00872   0.00000
  15 2   C  1S         -0.00167   0.00274   0.00885   0.00000  -0.00666
  16        2S          0.00274  -0.00537  -0.01296   0.00000   0.01751
  17        3S          0.00885  -0.01296  -0.01145   0.00000   0.02422
  18        4PX         0.00000   0.00000   0.00000  -0.01580   0.00000
  19        4PY         0.00666  -0.01751  -0.02422   0.00000   0.02751
  20        4PZ         0.00209  -0.00300  -0.01133   0.00000   0.00780
  21        5PX         0.00000   0.00000   0.00000  -0.02102   0.00000
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  23        5PZ        -0.00534   0.00693   0.00389   0.00000   0.00608
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  79        5PZ         0.23849   0.00000   0.00000   0.18564
  80        6D 0        0.01223   0.00000   0.00000   0.00852   0.00071
  81        6D+1        0.00000   0.00894   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.00000   0.00801   0.00000   0.00000
  83        6D+2       -0.00651   0.00000   0.00000  -0.00509  -0.00005
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.01925   0.00000   0.00943   0.01888   0.00047
  86        2S          0.02041   0.00000   0.00570   0.01736   0.00054
  87        3PX         0.00000  -0.00022   0.00000   0.00000   0.00000
  88        3PY        -0.00025   0.00000   0.00003  -0.00053   0.00001
  89        3PZ         0.00039   0.00000  -0.00023   0.00052  -0.00006
  90 8   H  1S          0.01925   0.00000  -0.00943   0.01888   0.00047
  91        2S          0.02041   0.00000  -0.00570   0.01736   0.00054
  92        3PX         0.00000  -0.00022   0.00000   0.00000   0.00000
  93        3PY         0.00025   0.00000   0.00003   0.00053  -0.00001
  94        3PZ         0.00039   0.00000   0.00023   0.00052  -0.00006
  95 9   H  1S          0.01288   0.00000  -0.00967   0.02292  -0.00338
  96        2S          0.00585   0.00000  -0.00637   0.00923  -0.00099
  97        3PX         0.00000   0.00237   0.00000   0.00000   0.00000
  98        3PY        -0.00135   0.00000  -0.00089  -0.00168   0.00022
  99        3PZ        -0.00421   0.00000  -0.00062  -0.00283  -0.00028
 100 10  H  1S          0.01288   0.00000   0.00967   0.02292  -0.00338
 101        2S          0.00585   0.00000   0.00637   0.00923  -0.00099
 102        3PX         0.00000   0.00237   0.00000   0.00000   0.00000
 103        3PY         0.00135   0.00000  -0.00089   0.00168  -0.00022
 104        3PZ        -0.00421   0.00000   0.00062  -0.00283  -0.00028
                          81        82        83        84        85
  81        6D+1        0.00094
  82        6D-1        0.00000   0.00170
  83        6D+2        0.00000   0.00000   0.00045
  84        6D-2        0.00000   0.00000   0.00000   0.00053
  85 7   H  1S          0.00000  -0.00009  -0.00003   0.00000   0.19368
  86        2S          0.00000   0.00033  -0.00042   0.00000   0.05904
  87        3PX         0.00003   0.00000   0.00000   0.00023   0.00000
  88        3PY         0.00000   0.00010  -0.00002   0.00000  -0.01322
  89        3PZ         0.00000  -0.00006  -0.00008   0.00000  -0.00808
  90 8   H  1S          0.00000   0.00009  -0.00003   0.00000  -0.00444
  91        2S          0.00000  -0.00033  -0.00042   0.00000  -0.00772
  92        3PX         0.00003   0.00000   0.00000  -0.00023   0.00000
  93        3PY         0.00000   0.00010   0.00002   0.00000   0.00049
  94        3PZ         0.00000   0.00006  -0.00008   0.00000   0.00010
  95 9   H  1S          0.00000  -0.00306  -0.00395   0.00000  -0.00955
  96        2S          0.00000  -0.00171  -0.00111   0.00000  -0.00626
  97        3PX         0.00026   0.00000   0.00000   0.00023   0.00000
  98        3PY         0.00000  -0.00011   0.00035   0.00000  -0.00048
  99        3PZ         0.00000  -0.00007  -0.00004   0.00000  -0.00161
 100 10  H  1S          0.00000   0.00306  -0.00395   0.00000   0.00496
 101        2S          0.00000   0.00171  -0.00111   0.00000   0.00666
 102        3PX         0.00026   0.00000   0.00000  -0.00023   0.00000
 103        3PY         0.00000  -0.00011  -0.00035   0.00000   0.00001
 104        3PZ         0.00000   0.00007  -0.00004   0.00000  -0.00023
                          86        87        88        89        90
  86        2S          0.02015
  87        3PX         0.00000   0.00018
  88        3PY        -0.00365   0.00000   0.00103
  89        3PZ        -0.00215   0.00000   0.00057   0.00051
  90 8   H  1S         -0.00772   0.00000  -0.00049   0.00010   0.19368
  91        2S         -0.00362   0.00000   0.00024   0.00047   0.05904
  92        3PX         0.00000  -0.00003   0.00000   0.00000   0.00000
  93        3PY        -0.00024   0.00000  -0.00006  -0.00002   0.01322
  94        3PZ         0.00047   0.00000   0.00002   0.00008  -0.00808
  95 9   H  1S         -0.00626   0.00000  -0.00048   0.00161   0.00496
  96        2S         -0.00263   0.00000   0.00002   0.00109   0.00666
  97        3PX         0.00000   0.00012   0.00000   0.00000   0.00000
  98        3PY         0.00002   0.00000   0.00007  -0.00001  -0.00001
  99        3PZ        -0.00109   0.00000   0.00001  -0.00001  -0.00023
 100 10  H  1S          0.00666   0.00000  -0.00001   0.00023  -0.00955
 101        2S          0.00461   0.00000  -0.00020   0.00012  -0.00626
 102        3PX         0.00000  -0.00008   0.00000   0.00000   0.00000
 103        3PY         0.00020   0.00000  -0.00001   0.00001   0.00048
 104        3PZ        -0.00012   0.00000   0.00001  -0.00001  -0.00161
                          91        92        93        94        95
  91        2S          0.02015
  92        3PX         0.00000   0.00018
  93        3PY         0.00365   0.00000   0.00103
  94        3PZ        -0.00215   0.00000  -0.00057   0.00051
  95 9   H  1S          0.00666   0.00000   0.00001   0.00023   0.19368
  96        2S          0.00461   0.00000   0.00020   0.00012   0.05904
  97        3PX         0.00000  -0.00008   0.00000   0.00000   0.00000
  98        3PY        -0.00020   0.00000  -0.00001  -0.00001  -0.01322
  99        3PZ        -0.00012   0.00000  -0.00001  -0.00001   0.00808
 100 10  H  1S         -0.00626   0.00000   0.00048   0.00161  -0.00444
 101        2S         -0.00263   0.00000  -0.00002   0.00109  -0.00772
 102        3PX         0.00000   0.00012   0.00000   0.00000   0.00000
 103        3PY        -0.00002   0.00000   0.00007   0.00001   0.00049
 104        3PZ        -0.00109   0.00000  -0.00001  -0.00001  -0.00010
                          96        97        98        99       100
  96        2S          0.02015
  97        3PX         0.00000   0.00018
  98        3PY        -0.00365   0.00000   0.00103
  99        3PZ         0.00215   0.00000  -0.00057   0.00051
 100 10  H  1S         -0.00772   0.00000  -0.00049  -0.00010   0.19368
 101        2S         -0.00362   0.00000   0.00024  -0.00047   0.05904
 102        3PX         0.00000  -0.00003   0.00000   0.00000   0.00000
 103        3PY        -0.00024   0.00000  -0.00006   0.00002   0.01322
 104        3PZ        -0.00047   0.00000  -0.00002   0.00008   0.00808
                         101       102       103       104
 101        2S          0.02015
 102        3PX         0.00000   0.00018
 103        3PY         0.00365   0.00000   0.00103
 104        3PZ         0.00215   0.00000   0.00057   0.00051
    Full Mulliken population analysis:
                           1         2         3         4         5
   1 1   C  1S          2.06168
   2        2S         -0.02321   0.30530
   3        3S         -0.02004   0.16640   0.16497
   4        4PX         0.00000   0.00000   0.00000   0.29889
   5        4PY         0.00000   0.00000   0.00000   0.00000   0.39222
   6        4PZ         0.00000   0.00000   0.00000   0.00000   0.00000
   7        5PX         0.00000   0.00000   0.00000   0.11516   0.00000
   8        5PY         0.00000   0.00000   0.00000   0.00000   0.06693
   9        5PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  10        6D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S          0.00000   0.00000   0.00019   0.00000   0.00000
  16        2S          0.00000  -0.00011  -0.00232   0.00000  -0.00072
  17        3S          0.00019  -0.00232  -0.00537   0.00000  -0.00462
  18        4PX         0.00000   0.00000   0.00000  -0.00013   0.00000
  19        4PY         0.00000  -0.00072  -0.00462   0.00000  -0.00209
  20        4PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  21        5PX         0.00000   0.00000   0.00000  -0.00248   0.00000
  22        5PY         0.00089  -0.01106  -0.01517   0.00000  -0.01067
  23        5PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  24        6D 0        0.00000   0.00019   0.00013   0.00000   0.00061
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  26        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  27        6D+2        0.00000   0.00013  -0.00012   0.00000   0.00078
  28        6D-2        0.00000   0.00000   0.00000   0.00022   0.00000
  29 3   C  1S          0.00000  -0.00058  -0.00005   0.00000   0.00000
  30        2S         -0.00058   0.01233   0.00168   0.00000   0.00000
  31        3S         -0.00005   0.00168  -0.01224   0.00000   0.00000
  32        4PX         0.00000   0.00000   0.00000   0.02100   0.00000
  33        4PY         0.00000   0.00000   0.00000   0.00000   0.00151
  34        4PZ        -0.00278   0.04118   0.03552   0.00000   0.00000
  35        5PX         0.00000   0.00000   0.00000   0.03207   0.00000
  36        5PY         0.00000   0.00000   0.00000   0.00000   0.00190
  37        5PZ        -0.00128   0.01438   0.01372   0.00000   0.00000
  38        6D 0       -0.00093   0.00626   0.00236   0.00000   0.00000
  39        6D+1        0.00000   0.00000   0.00000   0.00486   0.00000
  40        6D-1        0.00000   0.00000   0.00000   0.00000   0.00518
  41        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  42        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S          0.00000   0.00000  -0.00002   0.00000   0.00000
  44        2S          0.00000  -0.00003  -0.00002   0.00000  -0.00004
  45        3S         -0.00002  -0.00002   0.00233   0.00000  -0.00102
  46        4PX         0.00000   0.00000   0.00000  -0.00008   0.00000
  47        4PY         0.00000  -0.00004  -0.00102   0.00000  -0.00005
  48        4PZ         0.00000  -0.00002  -0.00029   0.00000  -0.00009
  49        5PX         0.00000   0.00000   0.00000  -0.00306   0.00000
  50        5PY        -0.00005   0.00075   0.00166   0.00000   0.00029
  51        5PZ        -0.00001  -0.00023   0.00025   0.00000  -0.00125
  52        6D 0        0.00000   0.00000  -0.00002   0.00000   0.00000
  53        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  54        6D-1        0.00000  -0.00003  -0.00024   0.00000  -0.00005
  55        6D+2        0.00000   0.00000  -0.00006   0.00000   0.00000
  56        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  57 5   N  1S          0.00000  -0.00035   0.00058   0.00000  -0.00149
  58        2S         -0.00019   0.00545  -0.00391   0.00000   0.02086
  59        3S         -0.00123   0.00631  -0.00761   0.00000   0.02036
  60        4PX         0.00000   0.00000   0.00000   0.01643   0.00000
  61        4PY        -0.00102   0.02300   0.01359   0.00000   0.04076
  62        4PZ        -0.00046   0.01110   0.00258   0.00000   0.02800
  63        5PX         0.00000   0.00000   0.00000   0.03482   0.00000
  64        5PY        -0.00337   0.02708   0.01791   0.00000   0.01126
  65        5PZ        -0.00227   0.02063   0.00544   0.00000   0.02358
  66        6D 0        0.00001  -0.00005   0.00000   0.00000   0.00069
  67        6D+1        0.00000   0.00000   0.00000   0.00154   0.00000
  68        6D-1       -0.00031   0.00285   0.00074   0.00000   0.00470
  69        6D+2       -0.00013   0.00101   0.00015   0.00000   0.00017
  70        6D-2        0.00000   0.00000   0.00000   0.00207   0.00000
  71 6   N  1S          0.00000   0.00000  -0.00006   0.00000   0.00000
  72        2S          0.00000   0.00000   0.00076   0.00000  -0.00001
  73        3S          0.00001  -0.00015   0.00360   0.00000  -0.00062
  74        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  75        4PY         0.00000  -0.00003  -0.00082   0.00000  -0.00001
  76        4PZ         0.00000  -0.00013  -0.00353   0.00000  -0.00003
  77        5PX         0.00000   0.00000   0.00000  -0.00031   0.00000
  78        5PY         0.00002  -0.00042  -0.00213   0.00000  -0.00011
  79        5PZ         0.00020  -0.00371  -0.01695   0.00000  -0.00043
  80        6D 0        0.00000   0.00001  -0.00002   0.00000  -0.00001
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.00002  -0.00001   0.00000   0.00001
  83        6D+2        0.00000  -0.00001  -0.00003   0.00000   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.00002   0.00000
  85 7   H  1S         -0.00448   0.05600   0.05800   0.00000   0.09840
  86        2S         -0.00108   0.01318   0.01572   0.00000   0.01659
  87        3PX         0.00000   0.00000   0.00000   0.00234   0.00000
  88        3PY        -0.00086   0.00604   0.00259   0.00000   0.00367
  89        3PZ        -0.00029   0.00213   0.00109   0.00000   0.00437
  90 8   H  1S          0.00000   0.00000   0.00010   0.00000   0.00001
  91        2S          0.00000   0.00002  -0.00032   0.00000   0.00063
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  94        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  95 9   H  1S          0.00001  -0.00069  -0.00775   0.00000  -0.00022
  96        2S          0.00019  -0.00264  -0.00897   0.00000  -0.00126
  97        3PX         0.00000   0.00000   0.00000   0.00003   0.00000
  98        3PY         0.00000  -0.00002  -0.00020   0.00000   0.00001
  99        3PZ         0.00000   0.00004   0.00005   0.00000  -0.00002
 100 10  H  1S          0.00000   0.00000   0.00003   0.00000   0.00000
 101        2S          0.00000   0.00002   0.00013   0.00000   0.00000
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
 104        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
                           6         7         8         9        10
   6        4PZ         0.41336
   7        5PX         0.00000   0.16063
   8        5PY         0.00000   0.00000   0.05584
   9        5PZ         0.05682   0.00000   0.00000   0.03784
  10        6D 0        0.00000   0.00000   0.00000   0.00000   0.00372
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   C  1S          0.00000   0.00000   0.00089   0.00000   0.00000
  16        2S          0.00000   0.00000  -0.01106   0.00000   0.00019
  17        3S          0.00000   0.00000  -0.01517   0.00000   0.00013
  18        4PX         0.00000  -0.00248   0.00000   0.00000   0.00000
  19        4PY         0.00000   0.00000  -0.01067   0.00000   0.00061
  20        4PZ        -0.00001   0.00000   0.00000   0.00062   0.00000
  21        5PX         0.00000  -0.01067   0.00000   0.00000   0.00000
  22        5PY         0.00000   0.00000  -0.00839   0.00000   0.00008
  23        5PZ         0.00062   0.00000   0.00000   0.00120   0.00000
  24        6D 0        0.00000   0.00000   0.00008   0.00000   0.00007
  25        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  26        6D-1       -0.00012   0.00000   0.00000  -0.00010   0.00000
  27        6D+2        0.00000   0.00000  -0.00001   0.00000   0.00009
  28        6D-2        0.00000   0.00086   0.00000   0.00000   0.00000
  29 3   C  1S         -0.00278   0.00000   0.00000  -0.00128  -0.00093
  30        2S          0.04118   0.00000   0.00000   0.01438   0.00626
  31        3S          0.03552   0.00000   0.00000   0.01372   0.00236
  32        4PX         0.00000   0.03207   0.00000   0.00000   0.00000
  33        4PY         0.00000   0.00000   0.00190   0.00000   0.00000
  34        4PZ         0.10100   0.00000   0.00000   0.01669   0.00662
  35        5PX         0.00000   0.05778   0.00000   0.00000   0.00000
  36        5PY         0.00000   0.00000  -0.00173   0.00000   0.00000
  37        5PZ         0.01669   0.00000   0.00000   0.00081  -0.00044
  38        6D 0        0.00662   0.00000   0.00000  -0.00044   0.00014
  39        6D+1        0.00000   0.00336   0.00000   0.00000   0.00000
  40        6D-1        0.00000   0.00000   0.00190   0.00000   0.00000
  41        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  42        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  43 4   C  1S          0.00000   0.00000  -0.00005  -0.00001   0.00000
  44        2S         -0.00002   0.00000   0.00075  -0.00023   0.00000
  45        3S         -0.00029   0.00000   0.00166   0.00025  -0.00002
  46        4PX         0.00000  -0.00306   0.00000   0.00000   0.00000
  47        4PY        -0.00009   0.00000   0.00029  -0.00125   0.00000
  48        4PZ         0.00003   0.00000  -0.00098  -0.00007  -0.00001
  49        5PX         0.00000  -0.01570   0.00000   0.00000   0.00000
  50        5PY        -0.00098   0.00000  -0.00110  -0.00008  -0.00003
  51        5PZ        -0.00007   0.00000  -0.00008  -0.00002  -0.00010
  52        6D 0       -0.00001   0.00000  -0.00003  -0.00010   0.00000
  53        6D+1        0.00000  -0.00006   0.00000   0.00000   0.00000
  54        6D-1        0.00000   0.00000  -0.00022  -0.00002   0.00001
  55        6D+2       -0.00002   0.00000   0.00008  -0.00009   0.00000
  56        6D-2        0.00000  -0.00014   0.00000   0.00000   0.00000
  57 5   N  1S         -0.00056   0.00000  -0.00078  -0.00039   0.00000
  58        2S          0.00795   0.00000   0.01312   0.00379  -0.00001
  59        3S          0.00717   0.00000   0.01744   0.00378  -0.00005
  60        4PX         0.00000   0.02401   0.00000   0.00000   0.00000
  61        4PY         0.02447   0.00000   0.00283   0.00149   0.00035
  62        4PZ         0.00213   0.00000  -0.00279   0.00054   0.00540
  63        5PX         0.00000   0.05432   0.00000   0.00000   0.00000
  64        5PY         0.01646   0.00000  -0.00418   0.00206   0.00022
  65        5PZ        -0.00983   0.00000  -0.00699  -0.00176   0.00537
  66        6D 0        0.00064   0.00000   0.00008   0.00026   0.00015
  67        6D+1        0.00000   0.00081   0.00000   0.00000   0.00000
  68        6D-1        0.00028   0.00000   0.00012   0.00008  -0.00015
  69        6D+2        0.00156   0.00000   0.00010   0.00009  -0.00019
  70        6D-2        0.00000   0.00125   0.00000   0.00000   0.00000
  71 6   N  1S          0.00000   0.00000   0.00003  -0.00006   0.00000
  72        2S         -0.00006   0.00000  -0.00091   0.00061   0.00000
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  86        2S          0.00005   0.00000  -0.00003   0.00010   0.00000
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  88        3PY         0.00001   0.00000   0.00000   0.00003   0.00000
  89        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  90 8   H  1S          0.00011   0.00000  -0.00003   0.00023   0.00000
  91        2S          0.00005   0.00000  -0.00003   0.00010   0.00000
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY         0.00001   0.00000   0.00000   0.00003   0.00000
  94        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  95 9   H  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  96        2S          0.00000   0.00000   0.00001   0.00000   0.00000
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  98        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  99        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
 100 10  H  1S          0.00000   0.00000   0.00000   0.00000   0.00000
 101        2S          0.00000   0.00000   0.00001   0.00000   0.00000
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
 104        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
                          71        72        73        74        75
  71 6   N  1S          2.07748
  72        2S         -0.03282   0.39479
  73        3S         -0.03755   0.31687   0.41521
  74        4PX         0.00000   0.00000   0.00000   0.34286
  75        4PY         0.00000   0.00000   0.00000   0.00000   0.43324
  76        4PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  77        5PX         0.00000   0.00000   0.00000   0.12803   0.00000
  78        5PY         0.00000   0.00000   0.00000   0.00000   0.10132
  79        5PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  80        6D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  83        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.00000   0.00000   0.00002   0.00000   0.00000
  86        2S          0.00000  -0.00001  -0.00014   0.00000   0.00012
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  88        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  89        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  90 8   H  1S          0.00000   0.00000   0.00002   0.00000   0.00000
  91        2S          0.00000  -0.00001  -0.00014   0.00000   0.00012
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  94        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  95 9   H  1S          0.00001  -0.00051  -0.00423   0.00000  -0.00096
  96        2S          0.00017  -0.00207  -0.00608   0.00000  -0.00258
  97        3PX         0.00000   0.00000   0.00000   0.00002   0.00000
  98        3PY         0.00000   0.00002   0.00008   0.00000   0.00009
  99        3PZ         0.00000   0.00000   0.00001   0.00000   0.00001
 100 10  H  1S          0.00001  -0.00051  -0.00423   0.00000  -0.00096
 101        2S          0.00017  -0.00207  -0.00608   0.00000  -0.00258
 102        3PX         0.00000   0.00000   0.00000   0.00002   0.00000
 103        3PY         0.00000   0.00002   0.00008   0.00000   0.00009
 104        3PZ         0.00000   0.00000   0.00001   0.00000   0.00001
                          76        77        78        79        80
  76        4PZ         0.62862
  77        5PX         0.00000   0.17607
  78        5PY         0.00000   0.00000   0.08734
  79        5PZ         0.24905   0.00000   0.00000   0.37127
  80        6D 0        0.00000   0.00000   0.00000   0.00000   0.00142
  81        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  82        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  83        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  84        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  85 7   H  1S          0.00000   0.00000   0.00010   0.00025   0.00000
  86        2S          0.00031   0.00000   0.00059   0.00234   0.00000
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  88        3PY         0.00000   0.00000   0.00000   0.00001   0.00000
  89        3PZ         0.00000   0.00000   0.00000  -0.00001   0.00000
  90 8   H  1S          0.00000   0.00000   0.00010   0.00025   0.00000
  91        2S          0.00031   0.00000   0.00059   0.00234   0.00000
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY         0.00000   0.00000   0.00000   0.00001   0.00000
  94        3PZ         0.00000   0.00000   0.00000  -0.00001   0.00000
  95 9   H  1S          0.00004   0.00000  -0.00412   0.00079   0.00011
  96        2S          0.00008   0.00000  -0.00473   0.00055   0.00005
  97        3PX         0.00000   0.00024   0.00000   0.00000   0.00000
  98        3PY         0.00001   0.00000   0.00037   0.00007   0.00001
  99        3PZ        -0.00002   0.00000   0.00003  -0.00028   0.00000
 100 10  H  1S          0.00004   0.00000  -0.00412   0.00079   0.00011
 101        2S          0.00008   0.00000  -0.00473   0.00055   0.00005
 102        3PX         0.00000   0.00024   0.00000   0.00000   0.00000
 103        3PY         0.00001   0.00000   0.00037   0.00007   0.00001
 104        3PZ        -0.00002   0.00000   0.00003  -0.00028   0.00000
                          81        82        83        84        85
  81        6D+1        0.00189
  82        6D-1        0.00000   0.00339
  83        6D+2        0.00000   0.00000   0.00089
  84        6D-2        0.00000   0.00000   0.00000   0.00107
  85 7   H  1S          0.00000   0.00000   0.00000   0.00000   0.38735
  86        2S          0.00000   0.00001   0.00000   0.00000   0.08087
  87        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  88        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  89        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  90 8   H  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  91        2S          0.00000   0.00001   0.00000   0.00000  -0.00003
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  94        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  95 9   H  1S          0.00000  -0.00003   0.00023   0.00000  -0.00009
  96        2S          0.00000  -0.00003   0.00010   0.00000  -0.00099
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  98        3PY         0.00000   0.00000   0.00003   0.00000   0.00000
  99        3PZ         0.00000   0.00000   0.00000   0.00000  -0.00002
 100 10  H  1S          0.00000  -0.00003   0.00023   0.00000   0.00000
 101        2S          0.00000  -0.00003   0.00010   0.00000   0.00000
 102        3PX         0.00000   0.00000   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   0.00000   0.00000
                          86        87        88        89        90
  86        2S          0.04031
  87        3PX         0.00000   0.00035
  88        3PY         0.00000   0.00000   0.00206
  89        3PZ         0.00000   0.00000   0.00000   0.00102
  90 8   H  1S         -0.00003   0.00000   0.00000   0.00000   0.38735
  91        2S         -0.00018   0.00000   0.00000   0.00000   0.08087
  92        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  93        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  94        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  95 9   H  1S         -0.00099   0.00000   0.00000  -0.00002   0.00000
  96        2S         -0.00136   0.00000   0.00000  -0.00015   0.00000
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  98        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  99        3PZ        -0.00015   0.00000   0.00000   0.00000   0.00000
 100 10  H  1S          0.00000   0.00000   0.00000   0.00000  -0.00009
 101        2S          0.00006   0.00000   0.00000   0.00000  -0.00099
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
 104        3PZ         0.00000   0.00000   0.00000   0.00000  -0.00002
                          91        92        93        94        95
  91        2S          0.04031
  92        3PX         0.00000   0.00035
  93        3PY         0.00000   0.00000   0.00206
  94        3PZ         0.00000   0.00000   0.00000   0.00102
  95 9   H  1S          0.00000   0.00000   0.00000   0.00000   0.38735
  96        2S          0.00006   0.00000   0.00000   0.00000   0.08087
  97        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  98        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  99        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
 100 10  H  1S         -0.00099   0.00000   0.00000  -0.00002   0.00000
 101        2S         -0.00136   0.00000   0.00000  -0.00015  -0.00003
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
 104        3PZ        -0.00015   0.00000   0.00000   0.00000   0.00000
                          96        97        98        99       100
  96        2S          0.04031
  97        3PX         0.00000   0.00035
  98        3PY         0.00000   0.00000   0.00206
  99        3PZ         0.00000   0.00000   0.00000   0.00102
 100 10  H  1S         -0.00003   0.00000   0.00000   0.00000   0.38735
 101        2S         -0.00018   0.00000   0.00000   0.00000   0.08087
 102        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
 103        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
 104        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
                         101       102       103       104
 101        2S          0.04031
 102        3PX         0.00000   0.00035
 103        3PY         0.00000   0.00000   0.00206
 104        3PZ         0.00000   0.00000   0.00000   0.00102
     Gross orbital populations:
                         Total     Alpha     Beta      Spin
   1 1   C  1S          1.99859   0.99929   0.99929   0.00000
   2        2S          0.67695   0.33848   0.33848   0.00000
   3        3S          0.39838   0.19919   0.19919   0.00000
   4        4PX         0.52339   0.26170   0.26170   0.00000
   5        4PY         0.71868   0.35934   0.35934   0.00000
   6        4PZ         0.74967   0.37483   0.37483   0.00000
   7        5PX         0.41603   0.20801   0.20801   0.00000
   8        5PY         0.17752   0.08876   0.08876   0.00000
   9        5PZ         0.13026   0.06513   0.06513   0.00000
  10        6D 0        0.02997   0.01498   0.01498   0.00000
  11        6D+1        0.01269   0.00635   0.00635   0.00000
  12        6D-1        0.03960   0.01980   0.01980   0.00000
  13        6D+2        0.01431   0.00716   0.00716   0.00000
  14        6D-2        0.01242   0.00621   0.00621   0.00000
  15 2   C  1S          1.99859   0.99929   0.99929   0.00000
  16        2S          0.67695   0.33848   0.33848   0.00000
  17        3S          0.39838   0.19919   0.19919   0.00000
  18        4PX         0.52339   0.26170   0.26170   0.00000
  19        4PY         0.71868   0.35934   0.35934   0.00000
  20        4PZ         0.74967   0.37483   0.37483   0.00000
  21        5PX         0.41603   0.20801   0.20801   0.00000
  22        5PY         0.17752   0.08876   0.08876   0.00000
  23        5PZ         0.13026   0.06513   0.06513   0.00000
  24        6D 0        0.02997   0.01498   0.01498   0.00000
  25        6D+1        0.01269   0.00635   0.00635   0.00000
  26        6D-1        0.03960   0.01980   0.01980   0.00000
  27        6D+2        0.01431   0.00716   0.00716   0.00000
  28        6D-2        0.01242   0.00621   0.00621   0.00000
  29 3   C  1S          1.99859   0.99929   0.99929   0.00000
  30        2S          0.67695   0.33848   0.33848   0.00000
  31        3S          0.39838   0.19919   0.19919   0.00000
  32        4PX         0.52339   0.26170   0.26170   0.00000
  33        4PY         0.71868   0.35934   0.35934   0.00000
  34        4PZ         0.74967   0.37483   0.37483   0.00000
  35        5PX         0.41603   0.20801   0.20801   0.00000
  36        5PY         0.17752   0.08876   0.08876   0.00000
  37        5PZ         0.13026   0.06513   0.06513   0.00000
  38        6D 0        0.02997   0.01498   0.01498   0.00000
  39        6D+1        0.01269   0.00635   0.00635   0.00000
  40        6D-1        0.03960   0.01980   0.01980   0.00000
  41        6D+2        0.01431   0.00716   0.00716   0.00000
  42        6D-2        0.01242   0.00621   0.00621   0.00000
  43 4   C  1S          1.99859   0.99929   0.99929   0.00000
  44        2S          0.67695   0.33848   0.33848   0.00000
  45        3S          0.39838   0.19919   0.19919   0.00000
  46        4PX         0.52339   0.26170   0.26170   0.00000
  47        4PY         0.71868   0.35934   0.35934   0.00000
  48        4PZ         0.74967   0.37483   0.37483   0.00000
  49        5PX         0.41603   0.20801   0.20801   0.00000
  50        5PY         0.17752   0.08876   0.08876   0.00000
  51        5PZ         0.13026   0.06513   0.06513   0.00000
  52        6D 0        0.02997   0.01498   0.01498   0.00000
  53        6D+1        0.01269   0.00635   0.00635   0.00000
  54        6D-1        0.03960   0.01980   0.01980   0.00000
  55        6D+2        0.01431   0.00716   0.00716   0.00000
  56        6D-2        0.01242   0.00621   0.00621   0.00000
  57 5   N  1S          1.99897   0.99948   0.99948   0.00000
  58        2S          0.78606   0.39303   0.39303   0.00000
  59        3S          0.77804   0.38902   0.38902   0.00000
  60        4PX         0.56218   0.28109   0.28109   0.00000
  61        4PY         0.75056   0.37528   0.37528   0.00000
  62        4PZ         0.96511   0.48255   0.48255   0.00000
  63        5PX         0.48311   0.24156   0.24156   0.00000
  64        5PY         0.29619   0.14810   0.14810   0.00000
  65        5PZ         0.62283   0.31142   0.31142   0.00000
  66        6D 0        0.00572   0.00286   0.00286   0.00000
  67        6D+1        0.00737   0.00368   0.00368   0.00000
  68        6D-1        0.02046   0.01023   0.01023   0.00000
  69        6D+2        0.00701   0.00350   0.00350   0.00000
  70        6D-2        0.00788   0.00394   0.00394   0.00000
  71 6   N  1S          1.99897   0.99948   0.99948   0.00000
  72        2S          0.78606   0.39303   0.39303   0.00000
  73        3S          0.77804   0.38902   0.38902   0.00000
  74        4PX         0.56218   0.28109   0.28109   0.00000
  75        4PY         0.75056   0.37528   0.37528   0.00000
  76        4PZ         0.96511   0.48255   0.48255   0.00000
  77        5PX         0.48311   0.24156   0.24156   0.00000
  78        5PY         0.29619   0.14810   0.14810   0.00000
  79        5PZ         0.62283   0.31142   0.31142   0.00000
  80        6D 0        0.00572   0.00286   0.00286   0.00000
  81        6D+1        0.00737   0.00368   0.00368   0.00000
  82        6D-1        0.02046   0.01023   0.01023   0.00000
  83        6D+2        0.00701   0.00350   0.00350   0.00000
  84        6D-2        0.00788   0.00394   0.00394   0.00000
  85 7   H  1S          0.76369   0.38184   0.38184   0.00000
  86        2S          0.16052   0.08026   0.08026   0.00000
  87        3PX         0.00519   0.00260   0.00260   0.00000
  88        3PY         0.01753   0.00876   0.00876   0.00000
  89        3PZ         0.00888   0.00444   0.00444   0.00000
  90 8   H  1S          0.76369   0.38184   0.38184   0.00000
  91        2S          0.16052   0.08026   0.08026   0.00000
  92        3PX         0.00519   0.00260   0.00260   0.00000
  93        3PY         0.01753   0.00876   0.00876   0.00000
  94        3PZ         0.00888   0.00444   0.00444   0.00000
  95 9   H  1S          0.76369   0.38184   0.38184   0.00000
  96        2S          0.16052   0.08026   0.08026   0.00000
  97        3PX         0.00519   0.00260   0.00260   0.00000
  98        3PY         0.01753   0.00876   0.00876   0.00000
  99        3PZ         0.00888   0.00444   0.00444   0.00000
 100 10  H  1S          0.76369   0.38184   0.38184   0.00000
 101        2S          0.16052   0.08026   0.08026   0.00000
 102        3PX         0.00519   0.00260   0.00260   0.00000
 103        3PY         0.01753   0.00876   0.00876   0.00000
 104        3PZ         0.00888   0.00444   0.00444   0.00000
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.629159  -0.110452   0.542365  -0.025111   0.534082  -0.057425
     2  C   -0.110452   4.629159  -0.025111   0.542365   0.534082  -0.057425
     3  C    0.542365  -0.025111   4.629159  -0.110452  -0.057425   0.534082
     4  C   -0.025111   0.542365  -0.110452   4.629159  -0.057425   0.534082
     5  N    0.534082   0.534082  -0.057425  -0.057425   6.385371  -0.009335
     6  N   -0.057425  -0.057425   0.534082   0.534082  -0.009335   6.385371
     7  H    0.423731   0.003148  -0.041125   0.000086  -0.022527   0.003592
     8  H    0.003148   0.423731   0.000086  -0.041125  -0.022527   0.003592
     9  H   -0.041125   0.000086   0.423731   0.003148   0.003592  -0.022527
    10  H    0.000086  -0.041125   0.003148   0.423731   0.003592  -0.022527
               7          8          9         10
     1  C    0.423731   0.003148  -0.041125   0.000086
     2  C    0.003148   0.423731   0.000086  -0.041125
     3  C   -0.041125   0.000086   0.423731   0.003148
     4  C    0.000086  -0.041125   0.003148   0.423731
     5  N   -0.022527  -0.022527   0.003592   0.003592
     6  N    0.003592   0.003592  -0.022527  -0.022527
     7  H    0.592832  -0.000243  -0.003759   0.000066
     8  H   -0.000243   0.592832   0.000066  -0.003759
     9  H   -0.003759   0.000066   0.592832  -0.000243
    10  H    0.000066  -0.003759  -0.000243   0.592832
          Atomic-Atomic Spin Densities.
               1          2          3          4          5          6
     1  C    0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     2  C    0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     3  C    0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     4  C    0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     5  N    0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     6  N    0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     7  H    0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     8  H    0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
     9  H    0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
    10  H    0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
               7          8          9         10
     1  C    0.000000   0.000000   0.000000   0.000000
     2  C    0.000000   0.000000   0.000000   0.000000
     3  C    0.000000   0.000000   0.000000   0.000000
     4  C    0.000000   0.000000   0.000000   0.000000
     5  N    0.000000   0.000000   0.000000   0.000000
     6  N    0.000000   0.000000   0.000000   0.000000
     7  H    0.000000   0.000000   0.000000   0.000000
     8  H    0.000000   0.000000   0.000000   0.000000
     9  H    0.000000   0.000000   0.000000   0.000000
    10  H    0.000000   0.000000   0.000000   0.000000
 Mulliken charges and spin densities:
               1          2
     1  C    0.101542   0.000000
     2  C    0.101542   0.000000
     3  C    0.101542   0.000000
     4  C    0.101542   0.000000
     5  N   -0.291479   0.000000
     6  N   -0.291479   0.000000
     7  H    0.044198   0.000000
     8  H    0.044198   0.000000
     9  H    0.044198   0.000000
    10  H    0.044198   0.000000
 Sum of Mulliken charges =   0.00000   0.00000
 Mulliken charges and spin densities with hydrogens summed into heavy atoms:
               1          2
     1  C    0.145740   0.000000
     2  C    0.145740   0.000000
     3  C    0.145740   0.000000
     4  C    0.145740   0.000000
     5  N   -0.291479   0.000000
     6  N   -0.291479   0.000000
 Electronic spatial extent (au):  <R**2>=            409.9616
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=              0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -36.3790   YY=            -26.5574   ZZ=            -40.9928
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.7360   YY=              8.0857   ZZ=             -6.3497
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=              0.0000  XYY=              0.0000
  XXY=              0.0000  XXZ=              0.0000  XZZ=              0.0000  YZZ=              0.0000
  YYZ=              0.0000  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -37.4017 YYYY=           -225.3489 ZZZZ=           -292.3681 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=            -53.3700 XXZZ=            -50.0710 YYZZ=            -68.9673
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 2.090820443772D+02 E-N=-1.031504678613D+03  KE= 2.624197163114D+02
 Symmetry AG   KE= 8.921916185484D+01
 Symmetry B1G  KE= 2.150008027062D+00
 Symmetry B2G  KE= 2.733203365431D+00
 Symmetry B3G  KE= 3.827736391577D+01
 Symmetry AU   KE= 1.837878654261D-16
 Symmetry B1U  KE= 8.677428777313D+01
 Symmetry B2U  KE= 4.113960359770D+01
 Symmetry B3U  KE= 2.126087777499D+00
 Orbital energies and kinetic energies (alpha):
                                 1                 2
   1         (B1U)--O        -15.595084         22.126723
   2         (AG)--O         -15.595063         22.127601
   3         (B2U)--O        -11.287137         16.021168
   4         (AG)--O         -11.287097         16.020659
   5         (B1U)--O        -11.285925         16.030930
   6         (B3G)--O        -11.285915         16.032511
   7         (AG)--O          -1.308504          1.785712
   8         (B1U)--O         -1.220450          2.065640
   9         (B2U)--O         -1.054088          1.652412
  10         (AG)--O          -0.902494          1.717859
  11         (B3G)--O         -0.887805          1.628782
  12         (AG)--O          -0.726312          1.106054
  13         (B2U)--O         -0.702009          1.665390
  14         (B1U)--O         -0.676477          1.257495
  15         (B2U)--O         -0.608919          1.230832
  16         (B3U)--O         -0.572400          1.063044
  17         (B3G)--O         -0.548513          1.477389
  18         (B1U)--O         -0.498722          1.906356
  19         (B2G)--O         -0.432678          1.366602
  20         (AG)--O          -0.409197          1.851695
  21         (B1G)--O         -0.357783          1.075004
  22         (B3U)--V          0.092744          1.536057
  23         (AU)--V           0.121671          1.206993
  24         (AG)--V           0.195746          0.628739
  25         (B2U)--V          0.208940          0.567510
  26         (B1U)--V          0.242419          0.643596
  27         (B3G)--V          0.247151          0.638291
  28         (B2G)--V          0.330666          1.582029
  29         (AG)--V           0.332074          1.326905
  30         (B2U)--V          0.434134          1.161971
  31         (B1U)--V          0.459097          1.384395
  32         (B3G)--V          0.463699          1.285266
  33         (B1U)--V          0.578554          1.816817
  34         (B3G)--V          0.607843          1.841529
  35         (AG)--V           0.632750          1.552528
  36         (B2U)--V          0.640845          1.768697
  37         (B3U)--V          0.655098          1.877241
  38         (B2U)--V          0.700749          1.839393
  39         (B1G)--V          0.703094          1.825485
  40         (AG)--V           0.709707          1.675727
  41         (B2G)--V          0.749889          2.092609
  42         (AG)--V           0.771721          2.717354
  43         (B1U)--V          0.778377          2.230705
  44         (AU)--V           0.801831          2.119540
  45         (B3G)--V          0.858224          2.388055
  46         (B2U)--V          0.911236          1.929193
  47         (B3G)--V          0.938163          2.842960
  48         (B1U)--V          0.953853          3.131298
  49         (AG)--V           0.978189          2.045385
  50         (B3U)--V          1.072195          1.792320
  51         (B1U)--V          1.073806          2.099003
  52         (AG)--V           1.076926          2.210841
  53         (B3U)--V          1.103796          2.884713
  54         (B1U)--V          1.109556          2.396669
  55         (B2U)--V          1.144334          2.590552
  56         (B2G)--V          1.166796          2.955587
  57         (B3G)--V          1.182925          1.994338
  58         (B1G)--V          1.193036          1.924852
  59         (B1G)--V          1.257589          1.881804
  60         (B1U)--V          1.275718          2.453503
  61         (B3G)--V          1.319853          2.662459
  62         (B2U)--V          1.379709          2.193853
  63         (AU)--V           1.396337          2.023410
  64         (B2G)--V          1.412955          2.009558
  65         (B3U)--V          1.427948          2.226912
  66         (AG)--V           1.521943          2.376722
  67         (B3G)--V          1.583562          2.350776
  68         (AG)--V           1.626819          2.577532
  69         (B2U)--V          1.742714          2.498105
  70         (AG)--V           1.806785          2.906693
  71         (AU)--V           1.822229          2.534051
  72         (B1U)--V          1.825294          2.552781
  73         (B3G)--V          1.841340          2.889399
  74         (AG)--V           1.887935          2.900487
  75         (B3U)--V          1.906070          2.408591
  76         (B1U)--V          1.915766          2.965146
  77         (B2U)--V          1.917780          2.900111
  78         (B2G)--V          1.961833          2.756851
  79         (B1G)--V          1.971649          2.452964
  80         (B1U)--V          2.026255          3.259907
  81         (B2G)--V          2.109205          2.715837
  82         (B2U)--V          2.124097          3.543822
  83         (B1U)--V          2.209564          3.781931
  84         (AG)--V           2.231378          3.648457
  85         (B3G)--V          2.261268          3.394476
  86         (AU)--V           2.278135          2.803082
  87         (B2U)--V          2.347495          3.237003
  88         (B3U)--V          2.447631          3.275988
  89         (B3G)--V          2.470695          3.818923
  90         (AG)--V           2.527608          3.957233
  91         (B1U)--V          2.538766          3.972872
  92         (B1G)--V          2.548894          3.506079
  93         (B2G)--V          2.699783          3.493187
  94         (B2U)--V          2.817905          4.459543
  95         (B3G)--V          2.851448          4.338339
  96         (AU)--V           2.856288          3.700859
  97         (B1U)--V          2.877120          4.362264
  98         (AG)--V           2.898850          4.243209
  99         (B2U)--V          3.131507          4.699483
 100         (AG)--V           3.176663          4.481892
 101         (B1U)--V          3.204139          4.579406
 102         (B3G)--V          3.235989          4.829245
 103         (B3G)--V          3.325247          4.928182
 104         (B1U)--V          3.773292          5.001748
 Orbital energies and kinetic energies (beta):
                                 1                 2
   1         (B1U)--O        -15.595084         22.126723
   2         (AG)--O         -15.595063         22.127601
   3         (B2U)--O        -11.287137         16.021168
   4         (AG)--O         -11.287097         16.020659
   5         (B1U)--O        -11.285925         16.030930
   6         (B3G)--O        -11.285915         16.032511
   7         (AG)--O          -1.308504          1.785712
   8         (B1U)--O         -1.220450          2.065640
   9         (B2U)--O         -1.054088          1.652412
  10         (AG)--O          -0.902494          1.717859
  11         (B3G)--O         -0.887805          1.628782
  12         (AG)--O          -0.726312          1.106054
  13         (B2U)--O         -0.702009          1.665390
  14         (B1U)--O         -0.676477          1.257495
  15         (B2U)--O         -0.608919          1.230832
  16         (B3U)--O         -0.572400          1.063044
  17         (B3G)--O         -0.548513          1.477389
  18         (B1U)--O         -0.498722          1.906356
  19         (B2G)--O         -0.432678          1.366602
  20         (AG)--O          -0.409197          1.851695
  21         (B1G)--O         -0.357783          1.075004
  22         (B3U)--V          0.092744          1.536057
  23         (AU)--V           0.121671          1.206993
  24         (AG)--V           0.195746          0.628739
  25         (B2U)--V          0.208940          0.567510
  26         (B1U)--V          0.242419          0.643596
  27         (B3G)--V          0.247151          0.638291
  28         (B2G)--V          0.330666          1.582029
  29         (AG)--V           0.332074          1.326905
  30         (B2U)--V          0.434134          1.161971
  31         (B1U)--V          0.459097          1.384395
  32         (B3G)--V          0.463699          1.285266
  33         (B1U)--V          0.578554          1.816817
  34         (B3G)--V          0.607843          1.841529
  35         (AG)--V           0.632750          1.552528
  36         (B2U)--V          0.640845          1.768697
  37         (B3U)--V          0.655098          1.877241
  38         (B2U)--V          0.700749          1.839393
  39         (B1G)--V          0.703094          1.825485
  40         (AG)--V           0.709707          1.675727
  41         (B2G)--V          0.749889          2.092609
  42         (AG)--V           0.771721          2.717354
  43         (B1U)--V          0.778377          2.230705
  44         (AU)--V           0.801831          2.119540
  45         (B3G)--V          0.858224          2.388055
  46         (B2U)--V          0.911236          1.929193
  47         (B3G)--V          0.938163          2.842960
  48         (B1U)--V          0.953853          3.131298
  49         (AG)--V           0.978189          2.045385
  50         (B3U)--V          1.072195          1.792320
  51         (B1U)--V          1.073806          2.099003
  52         (AG)--V           1.076926          2.210841
  53         (B3U)--V          1.103796          2.884713
  54         (B1U)--V          1.109556          2.396669
  55         (B2U)--V          1.144334          2.590552
  56         (B2G)--V          1.166796          2.955587
  57         (B3G)--V          1.182925          1.994338
  58         (B1G)--V          1.193036          1.924852
  59         (B1G)--V          1.257589          1.881804
  60         (B1U)--V          1.275718          2.453503
  61         (B3G)--V          1.319853          2.662459
  62         (B2U)--V          1.379709          2.193853
  63         (AU)--V           1.396337          2.023410
  64         (B2G)--V          1.412955          2.009558
  65         (B3U)--V          1.427948          2.226912
  66         (AG)--V           1.521943          2.376722
  67         (B3G)--V          1.583562          2.350776
  68         (AG)--V           1.626819          2.577532
  69         (B2U)--V          1.742714          2.498105
  70         (AG)--V           1.806785          2.906693
  71         (AU)--V           1.822229          2.534051
  72         (B1U)--V          1.825294          2.552781
  73         (B3G)--V          1.841340          2.889399
  74         (AG)--V           1.887935          2.900487
  75         (B3U)--V          1.906070          2.408591
  76         (B1U)--V          1.915766          2.965146
  77         (B2U)--V          1.917780          2.900111
  78         (B2G)--V          1.961833          2.756851
  79         (B1G)--V          1.971649          2.452964
  80         (B1U)--V          2.026255          3.259907
  81         (B2G)--V          2.109205          2.715837
  82         (B2U)--V          2.124097          3.543822
  83         (B1U)--V          2.209564          3.781931
  84         (AG)--V           2.231378          3.648457
  85         (B3G)--V          2.261268          3.394476
  86         (AU)--V           2.278135          2.803082
  87         (B2U)--V          2.347495          3.237003
  88         (B3U)--V          2.447631          3.275988
  89         (B3G)--V          2.470695          3.818923
  90         (AG)--V           2.527608          3.957233
  91         (B1U)--V          2.538766          3.972872
  92         (B1G)--V          2.548894          3.506079
  93         (B2G)--V          2.699783          3.493187
  94         (B2U)--V          2.817905          4.459543
  95         (B3G)--V          2.851448          4.338339
  96         (AU)--V           2.856288          3.700859
  97         (B1U)--V          2.877120          4.362264
  98         (AG)--V           2.898850          4.243209
  99         (B2U)--V          3.131507          4.699483
 100         (AG)--V           3.176663          4.481892
 101         (B1U)--V          3.204139          4.579406
 102         (B3G)--V          3.235989          4.829245
 103         (B3G)--V          3.325247          4.928182
 104         (B1U)--V          3.773292          5.001748
 Total kinetic energy from orbitals= 2.624197163114D+02
 Leave Link  601 at Thu Nov  5 17:54:28 2020, MaxMem= 16106127360 cpu:         1.3
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
 1\1\GINC-COMPUTE-40-3\SP\UMP5-FC\CC-pVDZ\C4H4N2\LOOS\05-Nov-2020\0\\#p
  MP5/cc-pvdz pop=full unit=au\\pyrazine\\0,1\C,0,0.,1.1281459376,0.695
 9255138\C,0,0.,-1.1281459376,0.6959255138\C,0,0.,1.1281459376,-0.69592
 55138\C,0,0.,-1.1281459376,-0.6959255138\N,0,0.,0.,1.4108928609\N,0,0.
 ,0.,-1.4108928609\H,0,0.,2.0571838704,1.2448059108\H,0,0.,-2.057183870
 4,1.2448059108\H,0,0.,2.0571838704,-1.2448059108\H,0,0.,-2.0571838704,
 -1.2448059108\\Version=ES64L-G09RevD.01\State=1-AG\HF=-262.7030109\MP2
 =-263.5376287\MP3=-263.5566663\MP4D=-263.5792775\MP4DQ=-263.555519\MP4
 SDTQ=-263.605918\MP5=-263.596846\PUHF=-262.7030109\PMP2-0=-263.5376287
 \PMP3-0=-263.5566663\S2=0.\S2-1=0.\S2A=0.\RMSD=3.069e-09\PG=D02H [C2"(
 N1.N1),SG(C4H4)]\\@


 A warm smile is the universal language of kindness.
                             -- William Arthur Ward
 Job cpu time:       0 days 15 hours  2 minutes  5.5 seconds.
 File lengths (MBytes):  RWF=  73721 Int=      0 D2E=      0 Chk=      2 Scr=      1
 Normal termination of Gaussian 09 at Thu Nov  5 17:54:29 2020.