Entering Gaussian System, Link 0=g09
 Input=Cl2.inp
 Output=Cl2.out
 Initial command:
 /share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/41496/Gau-39890.inp" -scrdir="/mnt/beegfs/tmpdir/41496/"
 Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID=     39891.
  
 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
                25-Mar-2019 
 ******************************************
 -------------------------------------
 #p ROCCSD(T) cc-pVDZ pop=full gfprint
 -------------------------------------
 1/38=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=16,11=2,16=1,24=100,25=1,30=1,116=101/1,2,3;
 4//1;
 5/5=2,38=5/2;
 8/5=-1,6=4,9=120000,10=1/1,4;
 9/5=7,14=2/13;
 6/7=3/1;
 99/5=1,9=1/99;
 Leave Link    1 at Mon Mar 25 23:53:17 2019, MaxMem=           0 cpu:         0.0
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
 --
 G2
 --
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 Cl
 Cl                   1    R
       Variables:
  R                     2.01648                  
 
 NAtoms=      2 NQM=        2 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
 IAtWgt=          35          35
 AtmWgt=  34.9688527  34.9688527
 NucSpn=           3           3
 AtZEff=   0.0000000   0.0000000
 NQMom=   -8.1650000  -8.1650000
 NMagM=    0.8218740   0.8218740
 AtZNuc=  17.0000000  17.0000000
 Leave Link  101 at Mon Mar 25 23:53:17 2019, MaxMem=    33554432 cpu:         0.1
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         17           0        0.000000    0.000000    0.000000
      2         17           0        0.000000    0.000000    2.016482
 ---------------------------------------------------------------------
 Stoichiometry    Cl2
 Framework group  D*H[C*(Cl.Cl)]
 Deg. of freedom     1
 Full point group                 D*H     NOp   8
 Largest Abelian subgroup         D2H     NOp   8
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         17           0        0.000000    0.000000    1.008241
      2         17           0        0.000000    0.000000   -1.008241
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0000000      7.1084842      7.1084842
 Leave Link  202 at Mon Mar 25 23:53:18 2019, MaxMem=    33554432 cpu:         0.0
 (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:  20 primitive shells out of 100 were deleted.
 AO basis set (Overlap normalization):
 Atom Cl1      Shell     1 S   9     bf    1 -     1          0.000000000000          0.000000000000          1.905299592714
      0.1279000000D+06  0.2408031561D-03
      0.1917000000D+05  0.1868281399D-02
      0.4363000000D+04  0.9694154040D-02
      0.1236000000D+04  0.3925828587D-01
      0.4036000000D+03  0.1257356400D+00
      0.1457000000D+03  0.2988351996D+00
      0.5681000000D+02  0.4208754485D+00
      0.2323000000D+02  0.2365405891D+00
      0.6644000000D+01  0.2173229091D-01
 Atom Cl1      Shell     2 S   8     bf    2 -     2          0.000000000000          0.000000000000          1.905299592714
      0.4363000000D+04 -0.5509651144D-04
      0.1236000000D+04 -0.1827052095D-03
      0.4036000000D+03 -0.3349963673D-02
      0.1457000000D+03 -0.1551112657D-01
      0.5681000000D+02 -0.8105480450D-01
      0.2323000000D+02 -0.6242986825D-01
      0.6644000000D+01  0.5017502668D+00
      0.2575000000D+01  0.6035924775D+00
 Atom Cl1      Shell     3 S   8     bf    3 -     3          0.000000000000          0.000000000000          1.905299592714
      0.4363000000D+04 -0.8775576945D-05
      0.1236000000D+04  0.3255402581D-04
      0.1457000000D+03  0.1779675118D-02
      0.5681000000D+02  0.5055938978D-02
      0.2323000000D+02  0.1351339040D-01
      0.6644000000D+01 -0.1324943422D+00
      0.2575000000D+01 -0.4360576759D+00
      0.5371000000D+00  0.1237601371D+01
 Atom Cl1      Shell     4 S   1     bf    4 -     4          0.000000000000          0.000000000000          1.905299592714
      0.1938000000D+00  0.1000000000D+01
 Atom Cl1      Shell     5 P   6     bf    5 -     7          0.000000000000          0.000000000000          1.905299592714
      0.4176000000D+03  0.5264464995D-02
      0.9833000000D+02  0.3986808520D-01
      0.3104000000D+02  0.1648068774D+00
      0.1119000000D+02  0.3876806852D+00
      0.4249000000D+01  0.4575650195D+00
      0.1624000000D+01  0.1513597742D+00
 Atom Cl1      Shell     6 P   6     bf    8 -    10          0.000000000000          0.000000000000          1.905299592714
      0.9833000000D+02  0.1400555738D-03
      0.3104000000D+02 -0.3104349717D-02
      0.1119000000D+02 -0.7983955198D-02
      0.4249000000D+01 -0.4288879095D-01
      0.1624000000D+01  0.1968140533D+00
      0.5322000000D+00  0.8722929134D+00
 Atom Cl1      Shell     7 P   1     bf   11 -    13          0.000000000000          0.000000000000          1.905299592714
      0.1620000000D+00  0.1000000000D+01
 Atom Cl1      Shell     8 D   1     bf   14 -    18          0.000000000000          0.000000000000          1.905299592714
      0.6000000000D+00  0.1000000000D+01
 Atom Cl2      Shell     9 S   9     bf   19 -    19          0.000000000000          0.000000000000         -1.905299592714
      0.1279000000D+06  0.2408031561D-03
      0.1917000000D+05  0.1868281399D-02
      0.4363000000D+04  0.9694154040D-02
      0.1236000000D+04  0.3925828587D-01
      0.4036000000D+03  0.1257356400D+00
      0.1457000000D+03  0.2988351996D+00
      0.5681000000D+02  0.4208754485D+00
      0.2323000000D+02  0.2365405891D+00
      0.6644000000D+01  0.2173229091D-01
 Atom Cl2      Shell    10 S   8     bf   20 -    20          0.000000000000          0.000000000000         -1.905299592714
      0.4363000000D+04 -0.5509651144D-04
      0.1236000000D+04 -0.1827052095D-03
      0.4036000000D+03 -0.3349963673D-02
      0.1457000000D+03 -0.1551112657D-01
      0.5681000000D+02 -0.8105480450D-01
      0.2323000000D+02 -0.6242986825D-01
      0.6644000000D+01  0.5017502668D+00
      0.2575000000D+01  0.6035924775D+00
 Atom Cl2      Shell    11 S   8     bf   21 -    21          0.000000000000          0.000000000000         -1.905299592714
      0.4363000000D+04 -0.8775576945D-05
      0.1236000000D+04  0.3255402581D-04
      0.1457000000D+03  0.1779675118D-02
      0.5681000000D+02  0.5055938978D-02
      0.2323000000D+02  0.1351339040D-01
      0.6644000000D+01 -0.1324943422D+00
      0.2575000000D+01 -0.4360576759D+00
      0.5371000000D+00  0.1237601371D+01
 Atom Cl2      Shell    12 S   1     bf   22 -    22          0.000000000000          0.000000000000         -1.905299592714
      0.1938000000D+00  0.1000000000D+01
 Atom Cl2      Shell    13 P   6     bf   23 -    25          0.000000000000          0.000000000000         -1.905299592714
      0.4176000000D+03  0.5264464995D-02
      0.9833000000D+02  0.3986808520D-01
      0.3104000000D+02  0.1648068774D+00
      0.1119000000D+02  0.3876806852D+00
      0.4249000000D+01  0.4575650195D+00
      0.1624000000D+01  0.1513597742D+00
 Atom Cl2      Shell    14 P   6     bf   26 -    28          0.000000000000          0.000000000000         -1.905299592714
      0.9833000000D+02  0.1400555738D-03
      0.3104000000D+02 -0.3104349717D-02
      0.1119000000D+02 -0.7983955198D-02
      0.4249000000D+01 -0.4288879095D-01
      0.1624000000D+01  0.1968140533D+00
      0.5322000000D+00  0.8722929134D+00
 Atom Cl2      Shell    15 P   1     bf   29 -    31          0.000000000000          0.000000000000         -1.905299592714
      0.1620000000D+00  0.1000000000D+01
 Atom Cl2      Shell    16 D   1     bf   32 -    36          0.000000000000          0.000000000000         -1.905299592714
      0.6000000000D+00  0.1000000000D+01
 There are    10 symmetry adapted cartesian basis functions of AG  symmetry.
 There are     1 symmetry adapted cartesian basis functions of B1G symmetry.
 There are     4 symmetry adapted cartesian basis functions of B2G symmetry.
 There are     4 symmetry adapted cartesian basis functions of B3G symmetry.
 There are     1 symmetry adapted cartesian basis functions of AU  symmetry.
 There are    10 symmetry adapted cartesian basis functions of B1U symmetry.
 There are     4 symmetry adapted cartesian basis functions of B2U symmetry.
 There are     4 symmetry adapted cartesian basis functions of B3U symmetry.
 There are     9 symmetry adapted basis functions of AG  symmetry.
 There are     1 symmetry adapted basis functions of B1G symmetry.
 There are     4 symmetry adapted basis functions of B2G symmetry.
 There are     4 symmetry adapted basis functions of B3G symmetry.
 There are     1 symmetry adapted basis functions of AU  symmetry.
 There are     9 symmetry adapted basis functions of B1U symmetry.
 There are     4 symmetry adapted basis functions of B2U symmetry.
 There are     4 symmetry adapted basis functions of B3U symmetry.
    36 basis functions,   142 primitive gaussians,    38 cartesian basis functions
    17 alpha electrons       17 beta electrons
       nuclear repulsion energy        75.8410911085 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=    2 NActive=    2 NUniq=    1 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 Mon Mar 25 23:53:18 2019, MaxMem=    33554432 cpu:         0.1
 (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=    36 RedAO= T EigKep=  5.37D-02  NBF=     9     1     4     4     1     9     4     4
 NBsUse=    36 1.00D-06 EigRej= -1.00D+00 NBFU=     9     1     4     4     1     9     4     4
 Leave Link  302 at Mon Mar 25 23:53:18 2019, MaxMem=    33554432 cpu:         0.1
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Mar 25 23:53:18 2019, MaxMem=    33554432 cpu:         0.0
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
 ExpMin= 1.62D-01 ExpMax= 1.28D+05 ExpMxC= 1.24D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  205 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         4 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= -918.058529251770    
 JPrj=0 DoOrth=F DoCkMO=F.
 Initial guess orbital symmetries:
       Occupied  (SGU) (SGG) (SGU) (SGG) (SGG) (SGU) (PIU) (PIU)
                 (PIG) (PIG) (SGG) (SGU) (SGG) (PIU) (PIU) (PIG)
                 (PIG)
       Virtual   (SGU) (SGG) (SGU) (PIU) (PIU) (PIG) (PIG) (SGG)
                 (PIU) (PIU) (DLTG) (DLTG) (DLTU) (DLTU) (SGU)
                 (SGG) (PIG) (PIG) (SGU)
 The electronic state of the initial guess is 1-SGG.
 Leave Link  401 at Mon Mar 25 23:53:18 2019, MaxMem=    33554432 cpu:         0.1
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l502.exe)
 Restricted 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=1111012.
 IVT=       23570 IEndB=       23570 NGot=    33554432 MDV=    33465865
 LenX=    33465865 LenY=    33463980
 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=    666 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.

 Cycle   1  Pass 1  IDiag  1:
 E= -918.937474776071    
 DIIS: error= 6.85D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -918.937474776071     IErMin= 1 ErrMin= 6.85D-02
 ErrMax= 6.85D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.29D-02 BMatP= 8.29D-02
 IDIUse=3 WtCom= 3.15D-01 WtEn= 6.85D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.472 Goal=   None    Shift=    0.000
 GapD=    0.472 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
 RMSDP=3.71D-03 MaxDP=2.33D-02              OVMax= 1.10D-02

 Cycle   2  Pass 1  IDiag  1:
 E= -918.959729201021     Delta-E=       -0.022254424951 Rises=F Damp=F
 DIIS: error= 5.97D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -918.959729201021     IErMin= 2 ErrMin= 5.97D-03
 ErrMax= 5.97D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-03 BMatP= 8.29D-02
 IDIUse=3 WtCom= 9.40D-01 WtEn= 5.97D-02
 Coeff-Com:  0.284D-01 0.972D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.267D-01 0.973D+00
 Gap=     0.478 Goal=   None    Shift=    0.000
 RMSDP=1.03D-03 MaxDP=7.44D-03 DE=-2.23D-02 OVMax= 1.28D-02

 Cycle   3  Pass 1  IDiag  1:
 E= -918.960823268707     Delta-E=       -0.001094067686 Rises=F Damp=F
 DIIS: error= 2.42D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -918.960823268707     IErMin= 3 ErrMin= 2.42D-03
 ErrMax= 2.42D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-04 BMatP= 1.05D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.42D-02
 Coeff-Com: -0.100D-01 0.193D+00 0.817D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.978D-02 0.188D+00 0.822D+00
 Gap=     0.478 Goal=   None    Shift=    0.000
 RMSDP=2.37D-04 MaxDP=1.98D-03 DE=-1.09D-03 OVMax= 1.06D-03

 Cycle   4  Pass 1  IDiag  1:
 E= -918.960941033184     Delta-E=       -0.000117764477 Rises=F Damp=F
 DIIS: error= 3.71D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -918.960941033184     IErMin= 4 ErrMin= 3.71D-04
 ErrMax= 3.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-06 BMatP= 1.10D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.71D-03
 Coeff-Com:  0.158D-02-0.801D-01-0.194D+00 0.127D+01
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.158D-02-0.798D-01-0.194D+00 0.127D+01
 Gap=     0.479 Goal=   None    Shift=    0.000
 RMSDP=5.67D-05 MaxDP=3.74D-04 DE=-1.18D-04 OVMax= 9.12D-04

 Cycle   5  Pass 1  IDiag  1:
 E= -918.960946024013     Delta-E=       -0.000004990829 Rises=F Damp=F
 DIIS: error= 3.06D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -918.960946024013     IErMin= 5 ErrMin= 3.06D-05
 ErrMax= 3.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-08 BMatP= 2.60D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.128D-03 0.274D-02 0.184D-03-0.871D-01 0.108D+01
 Coeff:      0.128D-03 0.274D-02 0.184D-03-0.871D-01 0.108D+01
 Gap=     0.479 Goal=   None    Shift=    0.000
 RMSDP=5.15D-06 MaxDP=3.16D-05 DE=-4.99D-06 OVMax= 5.50D-05

 Cycle   6  Pass 1  IDiag  1:
 E= -918.960946059657     Delta-E=       -0.000000035644 Rises=F Damp=F
 DIIS: error= 5.54D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -918.960946059657     IErMin= 6 ErrMin= 5.54D-06
 ErrMax= 5.54D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.85D-10 BMatP= 1.92D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.753D-04 0.199D-02 0.533D-02-0.268D-01-0.655D-01 0.109D+01
 Coeff:     -0.753D-04 0.199D-02 0.533D-02-0.268D-01-0.655D-01 0.109D+01
 Gap=     0.479 Goal=   None    Shift=    0.000
 RMSDP=1.09D-06 MaxDP=1.32D-05 DE=-3.56D-08 OVMax= 6.74D-06

 Cycle   7  Pass 1  IDiag  1:
 E= -918.960946060623     Delta-E=       -0.000000000966 Rises=F Damp=F
 DIIS: error= 6.16D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -918.960946060623     IErMin= 7 ErrMin= 6.16D-07
 ErrMax= 6.16D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.98D-12 BMatP= 5.85D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.489D-05-0.198D-03-0.381D-03 0.341D-02-0.174D-01-0.989D-01
 Coeff-Com:  0.111D+01
 Coeff:      0.489D-05-0.198D-03-0.381D-03 0.341D-02-0.174D-01-0.989D-01
 Coeff:      0.111D+01
 Gap=     0.479 Goal=   None    Shift=    0.000
 RMSDP=1.69D-07 MaxDP=1.57D-06 DE=-9.66D-10 OVMax= 9.17D-07

 Cycle   8  Pass 1  IDiag  1:
 E= -918.960946060641     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 4.65D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -918.960946060641     IErMin= 8 ErrMin= 4.65D-08
 ErrMax= 4.65D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.85D-14 BMatP= 8.98D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.356D-06 0.193D-04 0.287D-04-0.385D-03 0.324D-02 0.940D-02
 Coeff-Com: -0.185D+00 0.117D+01
 Coeff:     -0.356D-06 0.193D-04 0.287D-04-0.385D-03 0.324D-02 0.940D-02
 Coeff:     -0.185D+00 0.117D+01
 Gap=     0.479 Goal=   None    Shift=    0.000
 RMSDP=1.30D-08 MaxDP=8.33D-08 DE=-1.71D-11 OVMax= 5.46D-08

 Cycle   9  Pass 1  IDiag  1:
 E= -918.960946060641     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 3.91D-09 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -918.960946060641     IErMin= 9 ErrMin= 3.91D-09
 ErrMax= 3.91D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.48D-16 BMatP= 5.85D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.356D-07-0.212D-05-0.375D-05 0.495D-04-0.452D-03-0.102D-02
 Coeff-Com:  0.253D-01-0.203D+00 0.118D+01
 Coeff:      0.356D-07-0.212D-05-0.375D-05 0.495D-04-0.452D-03-0.102D-02
 Coeff:      0.253D-01-0.203D+00 0.118D+01
 Gap=     0.479 Goal=   None    Shift=    0.000
 RMSDP=1.06D-09 MaxDP=1.20D-08 DE=-4.55D-13 OVMax= 6.59D-09

 SCF Done:  E(ROHF) =  -918.960946061     A.U. after    9 cycles
            NFock=  9  Conv=0.11D-08     -V/T= 1.9999
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
 <L.S>= 0.000000000000E+00
 KE= 9.190747799908D+02 PE=-2.339903072157D+03 EE= 4.260262549967D+02
 Annihilation of the first spin contaminant:
 S**2 before annihilation     0.0000,   after     0.0000
 Leave Link  502 at Mon Mar 25 23:53:19 2019, MaxMem=    33554432 cpu:         0.2
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l801.exe)
 Windowed orbitals will be sorted by symmetry type.
 GenMOA:  NOpAll=  8 NOp2=8 NOpUse=  8 JSym2X=1
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       0 IOpCl=  1 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
 ExpMin= 1.62D-01 ExpMax= 1.28D+05 ExpMxC= 1.24D+03 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  3.15D-04
 Largest core mixing into a valence orbital is  2.15D-04
 Largest valence mixing into a core orbital is  3.15D-04
 Largest core mixing into a valence orbital is  2.15D-04
 Range of M.O.s used for correlation:    11    36
 NBasis=    36 NAE=    17 NBE=    17 NFC=    10 NFV=     0
 NROrb=     26 NOA=     7 NOB=     7 NVA=    19 NVB=    19
 Singles contribution to E2=   -0.1879726776D-16
 Leave Link  801 at Mon Mar 25 23:53:19 2019, MaxMem=    33554432 cpu:         0.3
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe)
 Open-shell transformation, MDV=    33554432 ITran=4 ISComp=2.
 Semi-Direct transformation.
 ModeAB=           4 MOrb=             7 LenV=      33344091
 LASXX=         6117 LTotXX=        6117 LenRXX=       13659
 LTotAB=        7542 MaxLAS=       77714 LenRXY=           0
 NonZer=       19776 LenScr=      720896 LnRSAI=       77714
 LnScr1=      720896 LExtra=           0 Total=      1533165
 MaxDsk=          -1 SrtSym=           T ITran=            4
 DoSDTr:  NPSUse=  1
 JobTyp=1 Pass  1:  I=   1 to   7.
 (rs|ai) integrals will be sorted in core.
 Complete sort for first half transformation.
 First half transformation complete.
 Complete sort for second half transformation.
 Second half transformation complete.
 ModeAB=           4 MOrb=             7 LenV=      33344091
 LASXX=         6117 LTotXX=        6117 LenRXX=       10204
 LTotAB=        4087 MaxLAS=       77714 LenRXY=           0
 NonZer=       16321 LenScr=      720896 LnRSAI=       77714
 LnScr1=      720896 LExtra=           0 Total=      1529710
 MaxDsk=          -1 SrtSym=           T ITran=            4
 DoSDTr:  NPSUse=  1
 JobTyp=2 Pass  1:  I=   1 to   7.
 (rs|ai) integrals will be sorted in core.
 Complete sort for first half transformation.
 First half transformation complete.
 Complete sort for second half transformation.
 Second half transformation complete.
 Spin components of T(2) and E(2):
     alpha-alpha T2 =       0.1346980953D-01 E2=     -0.3548868901D-01
     alpha-beta  T2 =       0.7709378789D-01 E2=     -0.1999699650D+00
     beta-beta   T2 =       0.1346980953D-01 E2=     -0.3548868901D-01
 ANorm=    0.1050729940D+01
 E2 =    -0.2709473430D+00 EUMP2 =    -0.91923189340364D+03
 (S**2,0)=  0.00000D+00           (S**2,1)=  0.00000D+00
 E(PUHF)=      -0.91896094606D+03        E(PMP2)=      -0.91923189340D+03
 Leave Link  804 at Mon Mar 25 23:53:19 2019, MaxMem=    33554432 cpu:         0.4
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe)
 CIDS:  MDV=    33554432.
 Frozen-core window:  NFC=  10 NFV=   0.
 IFCWin=0 IBDFC=1 NFBD=     0     0 NFCmp=     0     0 NFFFC=     0     0
 Using original routines for 1st iteration, S=T.
 Using DD4UQ or CC4UQ for 2nd and later iterations.
 Keep R2 and R3 ints in memory in symmetry-blocked form, NReq=1046801.
 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=    666 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 CCSD(T)
 =======
 Iterations=  50 Convergence= 0.100D-06
 Iteration Nr.   1
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=       140
 NAB=    49 NAA=    21 NBB=    21.
 DD1Dir will call FoFMem   1 times, MxPair=       140
 NAB=    49 NAA=    21 NBB=    21.
 MP4(R+Q)=  0.30502801D-01
 Maximum subspace dimension=  5
 Norm of the A-vectors is  6.7250537D-02 conv= 1.00D-05.
 RLE energy=       -0.2650789093
 E3=       -0.24504449D-01        EROMP3=      -0.91925639785D+03
 E4(SDQ)=  -0.10915661D-02        ROMP4(SDQ)=  -0.91925748942D+03
 VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
 DE(Corr)= -0.26494899     E(Corr)=     -919.22589505    
 NORM(A)=   0.10482630D+01
 Iteration Nr.   2
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=       140
 NAB=    49 NAA=    21 NBB=    21.
 Norm of the A-vectors is  3.6910416D-01 conv= 1.00D-05.
 RLE energy=       -0.2720060915
 DE(Corr)= -0.28910077     E(CORR)=     -919.25004683     Delta=-2.42D-02
 NORM(A)=   0.10508625D+01
 Iteration Nr.   3
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=       140
 NAB=    49 NAA=    21 NBB=    21.
 Norm of the A-vectors is  2.8911490D-01 conv= 1.00D-05.
 RLE energy=       -0.2794572304
 DE(Corr)= -0.29066405     E(CORR)=     -919.25161011     Delta=-1.56D-03
 NORM(A)=   0.10542132D+01
 Iteration Nr.   4
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=       140
 NAB=    49 NAA=    21 NBB=    21.
 Norm of the A-vectors is  2.0510099D-01 conv= 1.00D-05.
 RLE energy=       -0.2946625283
 DE(Corr)= -0.29240114     E(CORR)=     -919.25334720     Delta=-1.74D-03
 NORM(A)=   0.10620719D+01
 Iteration Nr.   5
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=       140
 NAB=    49 NAA=    21 NBB=    21.
 Norm of the A-vectors is  2.2704308D-02 conv= 1.00D-05.
 RLE energy=       -0.2961926867
 DE(Corr)= -0.29611002     E(CORR)=     -919.25705608     Delta=-3.71D-03
 NORM(A)=   0.10630135D+01
 Iteration Nr.   6
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=       140
 NAB=    49 NAA=    21 NBB=    21.
 Norm of the A-vectors is  5.1648064D-03 conv= 1.00D-05.
 RLE energy=       -0.2965580384
 DE(Corr)= -0.29646991     E(CORR)=     -919.25741597     Delta=-3.60D-04
 NORM(A)=   0.10632494D+01
 Iteration Nr.   7
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=       140
 NAB=    49 NAA=    21 NBB=    21.
 Norm of the A-vectors is  7.1479118D-04 conv= 1.00D-05.
 RLE energy=       -0.2965607117
 DE(Corr)= -0.29655944     E(CORR)=     -919.25750550     Delta=-8.95D-05
 NORM(A)=   0.10632562D+01
 Iteration Nr.   8
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=       140
 NAB=    49 NAA=    21 NBB=    21.
 Norm of the A-vectors is  2.2786652D-04 conv= 1.00D-05.
 RLE energy=       -0.2965605256
 DE(Corr)= -0.29656079     E(CORR)=     -919.25750685     Delta=-1.35D-06
 NORM(A)=   0.10632552D+01
 Iteration Nr.   9
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=       140
 NAB=    49 NAA=    21 NBB=    21.
 Norm of the A-vectors is  5.9179185D-05 conv= 1.00D-05.
 RLE energy=       -0.2965602916
 DE(Corr)= -0.29656023     E(CORR)=     -919.25750629     Delta= 5.66D-07
 NORM(A)=   0.10632550D+01
 Iteration Nr.  10
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=       140
 NAB=    49 NAA=    21 NBB=    21.
 Norm of the A-vectors is  1.6622364D-05 conv= 1.00D-05.
 RLE energy=       -0.2965604102
 DE(Corr)= -0.29656036     E(CORR)=     -919.25750642     Delta=-1.35D-07
 NORM(A)=   0.10632550D+01
 Iteration Nr.  11
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=       140
 NAB=    49 NAA=    21 NBB=    21.
 Norm of the A-vectors is  6.7871744D-06 conv= 1.00D-05.
 RLE energy=       -0.2965603540
 DE(Corr)= -0.29656035     E(CORR)=     -919.25750641     Delta= 1.10D-08
 NORM(A)=   0.10632550D+01
 CI/CC converged in   11 iterations to DelEn= 1.10D-08 Conv= 1.00D-07 ErrA1= 6.79D-06 Conv= 1.00D-05
 Dominant configurations:
 ***********************
 Spin Case        I    J    A    B          Value
   ABAB          13   13   18   18      -0.110911D+00
 Largest amplitude= 1.11D-01
 Time for triples=        5.44 seconds.
 T4(CCSD)= -0.65035530D-02
 T5(CCSD)=  0.10385113D-03
 CCSD(T)= -0.91926390611D+03
 Discarding MO integrals.
 Leave Link  913 at Mon Mar 25 23:53:43 2019, MaxMem=    33554432 cpu:        11.2
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=1.

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (SGG) (SGU) (SGG) (SGU) (SGG) (SGU) (PIU) (PIU)
                 (PIG) (PIG) (SGG) (SGU) (SGG) (PIU) (PIU) (PIG)
                 (PIG)
       Virtual   (SGU) (SGG) (SGU) (PIU) (PIU) (PIG) (PIG) (SGG)
                 (PIU) (PIU) (DLTG) (DLTG) (SGU) (DLTU) (DLTU)
                 (SGG) (PIG) (PIG) (SGU)
 The electronic state is 1-SGG.
 Alpha  occ. eigenvalues -- -104.89523-104.89523 -10.61948 -10.61937  -8.08757
 Alpha  occ. eigenvalues --   -8.08736  -8.08216  -8.08216  -8.08215  -8.08215
 Alpha  occ. eigenvalues --   -1.21558  -1.02011  -0.59173  -0.56610  -0.56610
 Alpha  occ. eigenvalues --   -0.44772  -0.44772
 Alpha virt. eigenvalues --    0.03141   0.62194   0.67900   0.70381   0.70381
 Alpha virt. eigenvalues --    0.75869   0.75869   0.76329   0.78612   0.78612
 Alpha virt. eigenvalues --    0.91563   0.91563   0.96425   0.97241   0.97241
 Alpha virt. eigenvalues --    1.05859   1.16210   1.16210   1.62344
     Molecular Orbital Coefficients:
                           1         2         3         4         5
                       (SGG)--O  (SGU)--O  (SGG)--O  (SGU)--O  (SGG)--O
     Eigenvalues --  -104.89523-104.89523 -10.61948 -10.61937  -8.08757
   1 1   Cl 1S          0.70812   0.70812  -0.19748  -0.19744  -0.00127
   2        2S         -0.00354  -0.00351   0.73284   0.73325   0.00467
   3        3S          0.00053   0.00062   0.02436   0.02549  -0.00066
   4        4S         -0.00027  -0.00049  -0.00626  -0.01001   0.00023
   5        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   6        5PY         0.00000   0.00000   0.00000   0.00000   0.00000
   7        5PZ        -0.00004  -0.00004  -0.00417  -0.00415   0.70626
   8        6PX         0.00000   0.00000   0.00000   0.00000   0.00000
   9        6PY         0.00000   0.00000   0.00000   0.00000   0.00000
  10        6PZ         0.00000   0.00000  -0.00084  -0.00072   0.00228
  11        7PX         0.00000   0.00000   0.00000   0.00000   0.00000
  12        7PY         0.00000   0.00000   0.00000   0.00000   0.00000
  13        7PZ         0.00000   0.00014   0.00027   0.00261   0.00034
  14        8D 0        0.00000  -0.00002  -0.00009  -0.00011  -0.00043
  15        8D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  16        8D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  17        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S          0.70812  -0.70812  -0.19748   0.19744  -0.00127
  20        2S         -0.00354   0.00351   0.73284  -0.73325   0.00467
  21        3S          0.00053  -0.00062   0.02436  -0.02549  -0.00066
  22        4S         -0.00027   0.00049  -0.00626   0.01001   0.00023
  23        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  24        5PY         0.00000   0.00000   0.00000   0.00000   0.00000
  25        5PZ         0.00004  -0.00004   0.00417  -0.00415  -0.70626
  26        6PX         0.00000   0.00000   0.00000   0.00000   0.00000
  27        6PY         0.00000   0.00000   0.00000   0.00000   0.00000
  28        6PZ         0.00000   0.00000   0.00084  -0.00072  -0.00228
  29        7PX         0.00000   0.00000   0.00000   0.00000   0.00000
  30        7PY         0.00000   0.00000   0.00000   0.00000   0.00000
  31        7PZ         0.00000   0.00014  -0.00027   0.00261  -0.00034
  32        8D 0        0.00000   0.00002  -0.00009   0.00011  -0.00043
  33        8D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  34        8D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                           6         7         8         9        10
                       (SGU)--O  (PIU)--O  (PIU)--O  (PIG)--O  (PIG)--O
     Eigenvalues --    -8.08736  -8.08216  -8.08216  -8.08215  -8.08215
   1 1   Cl 1S         -0.00124   0.00000   0.00000   0.00000   0.00000
   2        2S          0.00454   0.00000   0.00000   0.00000   0.00000
   3        3S         -0.00057   0.00000   0.00000   0.00000   0.00000
   4        4S          0.00019   0.00000   0.00000   0.00000   0.00000
   5        5PX         0.00000   0.00000   0.70697   0.70700   0.00000
   6        5PY         0.00000   0.70697   0.00000   0.00000   0.70700
   7        5PZ         0.70640   0.00000   0.00000   0.00000   0.00000
   8        6PX         0.00000   0.00000   0.00013   0.00001   0.00000
   9        6PY         0.00000   0.00013   0.00000   0.00000   0.00001
  10        6PZ         0.00201   0.00000   0.00000   0.00000   0.00000
  11        7PX         0.00000   0.00000   0.00091   0.00126   0.00000
  12        7PY         0.00000   0.00091   0.00000   0.00000   0.00126
  13        7PZ         0.00033   0.00000   0.00000   0.00000   0.00000
  14        8D 0       -0.00021   0.00000   0.00000   0.00000   0.00000
  15        8D+1        0.00000   0.00000  -0.00021  -0.00026   0.00000
  16        8D-1        0.00000  -0.00021   0.00000   0.00000  -0.00026
  17        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S          0.00124   0.00000   0.00000   0.00000   0.00000
  20        2S         -0.00454   0.00000   0.00000   0.00000   0.00000
  21        3S          0.00057   0.00000   0.00000   0.00000   0.00000
  22        4S         -0.00019   0.00000   0.00000   0.00000   0.00000
  23        5PX         0.00000   0.00000   0.70697  -0.70700   0.00000
  24        5PY         0.00000   0.70697   0.00000   0.00000  -0.70700
  25        5PZ         0.70640   0.00000   0.00000   0.00000   0.00000
  26        6PX         0.00000   0.00000   0.00013  -0.00001   0.00000
  27        6PY         0.00000   0.00013   0.00000   0.00000  -0.00001
  28        6PZ         0.00201   0.00000   0.00000   0.00000   0.00000
  29        7PX         0.00000   0.00000   0.00091  -0.00126   0.00000
  30        7PY         0.00000   0.00091   0.00000   0.00000  -0.00126
  31        7PZ         0.00033   0.00000   0.00000   0.00000   0.00000
  32        8D 0        0.00021   0.00000   0.00000   0.00000   0.00000
  33        8D+1        0.00000   0.00000   0.00021  -0.00026   0.00000
  34        8D-1        0.00000   0.00021   0.00000   0.00000  -0.00026
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          11        12        13        14        15
                       (SGG)--O  (SGU)--O  (SGG)--O  (PIU)--O  (PIU)--O
     Eigenvalues --    -1.21558  -1.02011  -0.59173  -0.56610  -0.56610
   1 1   Cl 1S          0.05642   0.06067   0.01570   0.00000   0.00000
   2        2S         -0.20242  -0.21865  -0.05751   0.00000   0.00000
   3        3S          0.33965   0.37134   0.09925   0.00000   0.00000
   4        4S          0.33830   0.42861   0.17404   0.00000   0.00000
   5        5PX         0.00000   0.00000   0.00000   0.00000  -0.18510
   6        5PY         0.00000   0.00000   0.00000  -0.18510   0.00000
   7        5PZ         0.04235  -0.03129  -0.18723   0.00000   0.00000
   8        6PX         0.00000   0.00000   0.00000   0.00000   0.45061
   9        6PY         0.00000   0.00000   0.00000   0.45061   0.00000
  10        6PZ        -0.09274   0.07060   0.44803   0.00000   0.00000
  11        7PX         0.00000   0.00000   0.00000   0.00000   0.30723
  12        7PY         0.00000   0.00000   0.00000   0.30723   0.00000
  13        7PZ        -0.02984   0.02341   0.26115   0.00000   0.00000
  14        8D 0        0.03226  -0.01096  -0.06885   0.00000   0.00000
  15        8D+1        0.00000   0.00000   0.00000   0.00000  -0.03251
  16        8D-1        0.00000   0.00000   0.00000  -0.03251   0.00000
  17        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S          0.05642  -0.06067   0.01570   0.00000   0.00000
  20        2S         -0.20242   0.21865  -0.05751   0.00000   0.00000
  21        3S          0.33965  -0.37134   0.09925   0.00000   0.00000
  22        4S          0.33830  -0.42861   0.17404   0.00000   0.00000
  23        5PX         0.00000   0.00000   0.00000   0.00000  -0.18510
  24        5PY         0.00000   0.00000   0.00000  -0.18510   0.00000
  25        5PZ        -0.04235  -0.03129   0.18723   0.00000   0.00000
  26        6PX         0.00000   0.00000   0.00000   0.00000   0.45061
  27        6PY         0.00000   0.00000   0.00000   0.45061   0.00000
  28        6PZ         0.09274   0.07060  -0.44803   0.00000   0.00000
  29        7PX         0.00000   0.00000   0.00000   0.00000   0.30723
  30        7PY         0.00000   0.00000   0.00000   0.30723   0.00000
  31        7PZ         0.02984   0.02341  -0.26115   0.00000   0.00000
  32        8D 0        0.03226   0.01096  -0.06885   0.00000   0.00000
  33        8D+1        0.00000   0.00000   0.00000   0.00000   0.03251
  34        8D-1        0.00000   0.00000   0.00000   0.03251   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          16        17        18        19        20
                       (PIG)--O  (PIG)--O  (SGU)--V  (SGG)--V  (SGU)--V
     Eigenvalues --    -0.44772  -0.44772   0.03141   0.62194   0.67900
   1 1   Cl 1S          0.00000   0.00000  -0.01878   0.00280  -0.01984
   2        2S          0.00000   0.00000   0.08245   0.02454   0.02039
   3        3S          0.00000   0.00000  -0.10301   0.07627  -0.22213
   4        4S          0.00000   0.00000  -0.41101   0.02403  -0.26902
   5        5PX        -0.19878   0.00000   0.00000   0.00000   0.00000
   6        5PY         0.00000  -0.19878   0.00000   0.00000   0.00000
   7        5PZ         0.00000   0.00000  -0.18465   0.10513   0.21367
   8        6PX         0.49196   0.00000   0.00000   0.00000   0.00000
   9        6PY         0.00000   0.49196   0.00000   0.00000   0.00000
  10        6PZ         0.00000   0.00000   0.44226  -0.50077  -0.82474
  11        7PX         0.38507   0.00000   0.00000   0.00000   0.00000
  12        7PY         0.00000   0.38507   0.00000   0.00000   0.00000
  13        7PZ         0.00000   0.00000   0.70908   0.59213   1.21298
  14        8D 0        0.00000   0.00000   0.05332   0.47546  -0.07032
  15        8D+1        0.01271   0.00000   0.00000   0.00000   0.00000
  16        8D-1        0.00000   0.01271   0.00000   0.00000   0.00000
  17        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S          0.00000   0.00000   0.01878   0.00280   0.01984
  20        2S          0.00000   0.00000  -0.08245   0.02454  -0.02039
  21        3S          0.00000   0.00000   0.10301   0.07627   0.22213
  22        4S          0.00000   0.00000   0.41101   0.02403   0.26902
  23        5PX         0.19878   0.00000   0.00000   0.00000   0.00000
  24        5PY         0.00000   0.19878   0.00000   0.00000   0.00000
  25        5PZ         0.00000   0.00000  -0.18465  -0.10513   0.21367
  26        6PX        -0.49196   0.00000   0.00000   0.00000   0.00000
  27        6PY         0.00000  -0.49196   0.00000   0.00000   0.00000
  28        6PZ         0.00000   0.00000   0.44226   0.50077  -0.82474
  29        7PX        -0.38507   0.00000   0.00000   0.00000   0.00000
  30        7PY         0.00000  -0.38507   0.00000   0.00000   0.00000
  31        7PZ         0.00000   0.00000   0.70908  -0.59213   1.21298
  32        8D 0        0.00000   0.00000  -0.05332   0.47546   0.07032
  33        8D+1        0.01271   0.00000   0.00000   0.00000   0.00000
  34        8D-1        0.00000   0.01271   0.00000   0.00000   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          21        22        23        24        25
                       (PIU)--V  (PIU)--V  (PIG)--V  (PIG)--V  (SGG)--V
     Eigenvalues --     0.70381   0.70381   0.75869   0.75869   0.76329
   1 1   Cl 1S          0.00000   0.00000   0.00000   0.00000  -0.07817
   2        2S          0.00000   0.00000   0.00000   0.00000  -0.14300
   3        3S          0.00000   0.00000   0.00000   0.00000  -1.18985
   4        4S          0.00000   0.00000   0.00000   0.00000   1.20182
   5        5PX         0.00000  -0.20733   0.00000   0.20133   0.00000
   6        5PY        -0.20733   0.00000   0.20133   0.00000   0.00000
   7        5PZ         0.00000   0.00000   0.00000   0.00000   0.06721
   8        6PX         0.00000   0.80737   0.00000  -0.82396   0.00000
   9        6PY         0.80737   0.00000  -0.82396   0.00000   0.00000
  10        6PZ         0.00000   0.00000   0.00000   0.00000  -0.26555
  11        7PX         0.00000  -0.67382   0.00000   0.97755   0.00000
  12        7PY        -0.67382   0.00000   0.97755   0.00000   0.00000
  13        7PZ         0.00000   0.00000   0.00000   0.00000   0.30074
  14        8D 0        0.00000   0.00000   0.00000   0.00000  -0.14893
  15        8D+1        0.00000   0.21149   0.00000   0.15881   0.00000
  16        8D-1        0.21149   0.00000   0.15881   0.00000   0.00000
  17        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S          0.00000   0.00000   0.00000   0.00000  -0.07817
  20        2S          0.00000   0.00000   0.00000   0.00000  -0.14300
  21        3S          0.00000   0.00000   0.00000   0.00000  -1.18985
  22        4S          0.00000   0.00000   0.00000   0.00000   1.20182
  23        5PX         0.00000  -0.20733   0.00000  -0.20133   0.00000
  24        5PY        -0.20733   0.00000  -0.20133   0.00000   0.00000
  25        5PZ         0.00000   0.00000   0.00000   0.00000  -0.06721
  26        6PX         0.00000   0.80737   0.00000   0.82396   0.00000
  27        6PY         0.80737   0.00000   0.82396   0.00000   0.00000
  28        6PZ         0.00000   0.00000   0.00000   0.00000   0.26555
  29        7PX         0.00000  -0.67382   0.00000  -0.97755   0.00000
  30        7PY        -0.67382   0.00000  -0.97755   0.00000   0.00000
  31        7PZ         0.00000   0.00000   0.00000   0.00000  -0.30074
  32        8D 0        0.00000   0.00000   0.00000   0.00000  -0.14893
  33        8D+1        0.00000  -0.21149   0.00000   0.15881   0.00000
  34        8D-1       -0.21149   0.00000   0.15881   0.00000   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          26        27        28        29        30
                       (PIU)--V  (PIU)--V  (DLTG)--  (DLTG)--  (SGU)--V
     Eigenvalues --     0.78612   0.78612   0.91563   0.91563   0.96425
   1 1   Cl 1S          0.00000   0.00000   0.00000   0.00000  -0.07524
   2        2S          0.00000   0.00000   0.00000   0.00000  -0.21711
   3        3S          0.00000   0.00000   0.00000   0.00000  -1.25910
   4        4S          0.00000   0.00000   0.00000   0.00000   1.78854
   5        5PX         0.00000   0.06192   0.00000   0.00000   0.00000
   6        5PY         0.06192   0.00000   0.00000   0.00000   0.00000
   7        5PZ         0.00000   0.00000   0.00000   0.00000  -0.06284
   8        6PX         0.00000  -0.27196   0.00000   0.00000   0.00000
   9        6PY        -0.27196   0.00000   0.00000   0.00000   0.00000
  10        6PZ         0.00000   0.00000   0.00000   0.00000   0.25250
  11        7PX         0.00000   0.31805   0.00000   0.00000   0.00000
  12        7PY         0.31805   0.00000   0.00000   0.00000   0.00000
  13        7PZ         0.00000   0.00000   0.00000   0.00000  -0.73317
  14        8D 0        0.00000   0.00000   0.00000   0.00000  -0.32452
  15        8D+1        0.00000   0.64355   0.00000   0.00000   0.00000
  16        8D-1        0.64355   0.00000   0.00000   0.00000   0.00000
  17        8D+2        0.00000   0.00000   0.00000   0.70261   0.00000
  18        8D-2        0.00000   0.00000   0.70261   0.00000   0.00000
  19 2   Cl 1S          0.00000   0.00000   0.00000   0.00000   0.07524
  20        2S          0.00000   0.00000   0.00000   0.00000   0.21711
  21        3S          0.00000   0.00000   0.00000   0.00000   1.25910
  22        4S          0.00000   0.00000   0.00000   0.00000  -1.78854
  23        5PX         0.00000   0.06192   0.00000   0.00000   0.00000
  24        5PY         0.06192   0.00000   0.00000   0.00000   0.00000
  25        5PZ         0.00000   0.00000   0.00000   0.00000  -0.06284
  26        6PX         0.00000  -0.27196   0.00000   0.00000   0.00000
  27        6PY        -0.27196   0.00000   0.00000   0.00000   0.00000
  28        6PZ         0.00000   0.00000   0.00000   0.00000   0.25250
  29        7PX         0.00000   0.31805   0.00000   0.00000   0.00000
  30        7PY         0.31805   0.00000   0.00000   0.00000   0.00000
  31        7PZ         0.00000   0.00000   0.00000   0.00000  -0.73317
  32        8D 0        0.00000   0.00000   0.00000   0.00000   0.32452
  33        8D+1        0.00000  -0.64355   0.00000   0.00000   0.00000
  34        8D-1       -0.64355   0.00000   0.00000   0.00000   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.70261   0.00000
  36        8D-2        0.00000   0.00000   0.70261   0.00000   0.00000
                          31        32        33        34        35
                       (DLTU)--  (DLTU)--  (SGG)--V  (PIG)--V  (PIG)--V
     Eigenvalues --     0.97241   0.97241   1.05859   1.16210   1.16210
   1 1   Cl 1S          0.00000   0.00000  -0.03614   0.00000   0.00000
   2        2S          0.00000   0.00000  -0.04956   0.00000   0.00000
   3        3S          0.00000   0.00000  -0.52994   0.00000   0.00000
   4        4S          0.00000   0.00000   0.31083   0.00000   0.00000
   5        5PX         0.00000   0.00000   0.00000   0.00000  -0.04898
   6        5PY         0.00000   0.00000   0.00000  -0.04898   0.00000
   7        5PZ         0.00000   0.00000  -0.17719   0.00000   0.00000
   8        6PX         0.00000   0.00000   0.00000   0.00000   0.23623
   9        6PY         0.00000   0.00000   0.00000   0.23623   0.00000
  10        6PZ         0.00000   0.00000   0.73758   0.00000   0.00000
  11        7PX         0.00000   0.00000   0.00000   0.00000  -0.39975
  12        7PY         0.00000   0.00000   0.00000  -0.39975   0.00000
  13        7PZ         0.00000   0.00000  -0.57437   0.00000   0.00000
  14        8D 0        0.00000   0.00000   0.42198   0.00000   0.00000
  15        8D+1        0.00000   0.00000   0.00000   0.00000   0.73832
  16        8D-1        0.00000   0.00000   0.00000   0.73832   0.00000
  17        8D+2        0.00000   0.71169   0.00000   0.00000   0.00000
  18        8D-2        0.71169   0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S          0.00000   0.00000  -0.03614   0.00000   0.00000
  20        2S          0.00000   0.00000  -0.04956   0.00000   0.00000
  21        3S          0.00000   0.00000  -0.52994   0.00000   0.00000
  22        4S          0.00000   0.00000   0.31083   0.00000   0.00000
  23        5PX         0.00000   0.00000   0.00000   0.00000   0.04898
  24        5PY         0.00000   0.00000   0.00000   0.04898   0.00000
  25        5PZ         0.00000   0.00000   0.17719   0.00000   0.00000
  26        6PX         0.00000   0.00000   0.00000   0.00000  -0.23623
  27        6PY         0.00000   0.00000   0.00000  -0.23623   0.00000
  28        6PZ         0.00000   0.00000  -0.73758   0.00000   0.00000
  29        7PX         0.00000   0.00000   0.00000   0.00000   0.39975
  30        7PY         0.00000   0.00000   0.00000   0.39975   0.00000
  31        7PZ         0.00000   0.00000   0.57437   0.00000   0.00000
  32        8D 0        0.00000   0.00000   0.42198   0.00000   0.00000
  33        8D+1        0.00000   0.00000   0.00000   0.00000   0.73832
  34        8D-1        0.00000   0.00000   0.00000   0.73832   0.00000
  35        8D+2        0.00000  -0.71169   0.00000   0.00000   0.00000
  36        8D-2       -0.71169   0.00000   0.00000   0.00000   0.00000
                          36
                       (SGU)--V
     Eigenvalues --     1.62344
   1 1   Cl 1S         -0.05221
   2        2S         -0.29004
   3        3S         -1.08457
   4        4S          2.06078
   5        5PX         0.00000
   6        5PY         0.00000
   7        5PZ         0.02438
   8        6PX         0.00000
   9        6PY         0.00000
  10        6PZ         0.02329
  11        7PX         0.00000
  12        7PY         0.00000
  13        7PZ        -1.16256
  14        8D 0        0.84987
  15        8D+1        0.00000
  16        8D-1        0.00000
  17        8D+2        0.00000
  18        8D-2        0.00000
  19 2   Cl 1S          0.05221
  20        2S          0.29004
  21        3S          1.08457
  22        4S         -2.06078
  23        5PX         0.00000
  24        5PY         0.00000
  25        5PZ         0.02438
  26        6PX         0.00000
  27        6PY         0.00000
  28        6PZ         0.02329
  29        7PX         0.00000
  30        7PY         0.00000
  31        7PZ        -1.16256
  32        8D 0       -0.84987
  33        8D+1        0.00000
  34        8D-1        0.00000
  35        8D+2        0.00000
  36        8D-2        0.00000
     Alpha Density Matrix:
                           1         2         3         4         5
   1 1   Cl 1S          1.08796
   2        2S         -0.32009   1.16687
   3        3S          0.03422  -0.11912   0.26435
   4        4S          0.05050  -0.18413   0.29093   0.32858
   5        5PX         0.00000   0.00000   0.00000   0.00000   1.07344
   6        5PY         0.00000   0.00000   0.00000   0.00000   0.00000
   7        5PZ        -0.00264   0.00944  -0.01690  -0.03131   0.00000
   8        6PX         0.00000   0.00000   0.00000   0.00000  -0.18110
   9        6PY         0.00000   0.00000   0.00000   0.00000   0.00000
  10        6PZ         0.00639  -0.02356   0.03915   0.07687   0.00000
  11        7PX         0.00000   0.00000   0.00000   0.00000  -0.13188
  12        7PY         0.00000   0.00000   0.00000   0.00000   0.00000
  13        7PZ         0.00337  -0.01198   0.02455   0.04536   0.00000
  14        8D 0        0.00010  -0.00032   0.00005  -0.00577   0.00000
  15        8D+1        0.00000   0.00000   0.00000   0.00000   0.00315
  16        8D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  17        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S         -0.00024   0.00097  -0.00164  -0.00477   0.00000
  20        2S          0.00097  -0.00413   0.00589   0.01799   0.00000
  21        3S         -0.00164   0.00589  -0.01273  -0.02688   0.00000
  22        4S         -0.00477   0.01799  -0.02688  -0.03904   0.00000
  23        5PX         0.00000   0.00000   0.00000   0.00000  -0.00530
  24        5PY         0.00000   0.00000   0.00000   0.00000   0.00000
  25        5PZ        -0.00133   0.00457  -0.00736   0.00484   0.00000
  26        6PX         0.00000   0.00000   0.00000   0.00000   0.01447
  27        6PY         0.00000   0.00000   0.00000   0.00000   0.00000
  28        6PZ         0.00245  -0.00836   0.01325  -0.01634   0.00000
  29        7PX         0.00000   0.00000   0.00000   0.00000   0.01943
  30        7PY         0.00000   0.00000   0.00000   0.00000   0.00000
  31        7PZ        -0.00136   0.00557  -0.00703  -0.02534   0.00000
  32        8D 0        0.00141  -0.00495   0.00819   0.00363   0.00000
  33        8D+1        0.00000   0.00000   0.00000   0.00000  -0.00858
  34        8D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                           6         7         8         9        10
   6        5PY         1.07344
   7        5PZ         0.00000   1.03566
   8        6PX         0.00000   0.00000   0.44508
   9        6PY        -0.18110   0.00000   0.00000   0.44508
  10        6PZ         0.00000  -0.08698   0.00000   0.00000   0.21432
  11        7PX         0.00000   0.00000   0.32788   0.00000   0.00000
  12        7PY        -0.13188   0.00000   0.00000   0.32788   0.00000
  13        7PZ         0.00000  -0.05043   0.00000   0.00000   0.12142
  14        8D 0        0.00000   0.01415   0.00000   0.00000  -0.03461
  15        8D+1        0.00000   0.00000  -0.00840   0.00000   0.00000
  16        8D-1        0.00315   0.00000   0.00000  -0.00840   0.00000
  17        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S          0.00000   0.00133   0.00000   0.00000  -0.00245
  20        2S          0.00000  -0.00457   0.00000   0.00000   0.00836
  21        3S          0.00000   0.00736   0.00000   0.00000  -0.01325
  22        4S          0.00000  -0.00484   0.00000   0.00000   0.01634
  23        5PX         0.00000   0.00000   0.01447   0.00000   0.00000
  24        5PY        -0.00530   0.00000   0.00000   0.01447   0.00000
  25        5PZ         0.00000  -0.03567   0.00000   0.00000   0.08542
  26        6PX         0.00000   0.00000  -0.03898   0.00000   0.00000
  27        6PY         0.01447   0.00000   0.00000  -0.03898   0.00000
  28        6PZ         0.00000   0.08542   0.00000   0.00000  -0.20435
  29        7PX         0.00000   0.00000  -0.05100   0.00000   0.00000
  30        7PY         0.01943   0.00000   0.00000  -0.05100   0.00000
  31        7PZ         0.00000   0.04942   0.00000   0.00000  -0.11812
  32        8D 0        0.00000   0.01376   0.00000   0.00000  -0.03306
  33        8D+1        0.00000   0.00000   0.02090   0.00000   0.00000
  34        8D-1       -0.00858   0.00000   0.00000   0.02090   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          11        12        13        14        15
  11        7PX         0.24267
  12        7PY         0.00000   0.24267
  13        7PZ         0.00000   0.00000   0.06964
  14        8D 0        0.00000   0.00000  -0.01920   0.00590
  15        8D+1       -0.00510   0.00000   0.00000   0.00000   0.00122
  16        8D-1        0.00000  -0.00510   0.00000   0.00000   0.00000
  17        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S          0.00000   0.00000   0.00136   0.00141   0.00000
  20        2S          0.00000   0.00000  -0.00557  -0.00495   0.00000
  21        3S          0.00000   0.00000   0.00703   0.00819   0.00000
  22        4S          0.00000   0.00000   0.02534   0.00363   0.00000
  23        5PX         0.01943   0.00000   0.00000   0.00000   0.00858
  24        5PY         0.00000   0.01943   0.00000   0.00000   0.00000
  25        5PZ         0.00000   0.00000   0.04942  -0.01376   0.00000
  26        6PX        -0.05100   0.00000   0.00000   0.00000  -0.02090
  27        6PY         0.00000  -0.05100   0.00000   0.00000   0.00000
  28        6PZ         0.00000   0.00000  -0.11812   0.03306   0.00000
  29        7PX        -0.05389   0.00000   0.00000   0.00000  -0.01488
  30        7PY         0.00000  -0.05389   0.00000   0.00000   0.00000
  31        7PZ         0.00000   0.00000  -0.06853   0.01869   0.00000
  32        8D 0        0.00000   0.00000  -0.01869   0.00566   0.00000
  33        8D+1        0.01488   0.00000   0.00000   0.00000  -0.00090
  34        8D-1        0.00000   0.01488   0.00000   0.00000   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          16        17        18        19        20
  16        8D-1        0.00122
  17        8D+2        0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000
  19 2   Cl 1S          0.00000   0.00000   0.00000   1.08796
  20        2S          0.00000   0.00000   0.00000  -0.32009   1.16687
  21        3S          0.00000   0.00000   0.00000   0.03422  -0.11912
  22        4S          0.00000   0.00000   0.00000   0.05050  -0.18413
  23        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  24        5PY         0.00858   0.00000   0.00000   0.00000   0.00000
  25        5PZ         0.00000   0.00000   0.00000   0.00264  -0.00944
  26        6PX         0.00000   0.00000   0.00000   0.00000   0.00000
  27        6PY        -0.02090   0.00000   0.00000   0.00000   0.00000
  28        6PZ         0.00000   0.00000   0.00000  -0.00639   0.02356
  29        7PX         0.00000   0.00000   0.00000   0.00000   0.00000
  30        7PY        -0.01488   0.00000   0.00000   0.00000   0.00000
  31        7PZ         0.00000   0.00000   0.00000  -0.00337   0.01198
  32        8D 0        0.00000   0.00000   0.00000   0.00010  -0.00032
  33        8D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  34        8D-1       -0.00090   0.00000   0.00000   0.00000   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          21        22        23        24        25
  21        3S          0.26435
  22        4S          0.29093   0.32858
  23        5PX         0.00000   0.00000   1.07344
  24        5PY         0.00000   0.00000   0.00000   1.07344
  25        5PZ         0.01690   0.03131   0.00000   0.00000   1.03566
  26        6PX         0.00000   0.00000  -0.18110   0.00000   0.00000
  27        6PY         0.00000   0.00000   0.00000  -0.18110   0.00000
  28        6PZ        -0.03915  -0.07687   0.00000   0.00000  -0.08698
  29        7PX         0.00000   0.00000  -0.13188   0.00000   0.00000
  30        7PY         0.00000   0.00000   0.00000  -0.13188   0.00000
  31        7PZ        -0.02455  -0.04536   0.00000   0.00000  -0.05043
  32        8D 0        0.00005  -0.00577   0.00000   0.00000  -0.01415
  33        8D+1        0.00000   0.00000  -0.00315   0.00000   0.00000
  34        8D-1        0.00000   0.00000   0.00000  -0.00315   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          26        27        28        29        30
  26        6PX         0.44508
  27        6PY         0.00000   0.44508
  28        6PZ         0.00000   0.00000   0.21432
  29        7PX         0.32788   0.00000   0.00000   0.24267
  30        7PY         0.00000   0.32788   0.00000   0.00000   0.24267
  31        7PZ         0.00000   0.00000   0.12142   0.00000   0.00000
  32        8D 0        0.00000   0.00000   0.03461   0.00000   0.00000
  33        8D+1        0.00840   0.00000   0.00000   0.00510   0.00000
  34        8D-1        0.00000   0.00840   0.00000   0.00000   0.00510
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          31        32        33        34        35
  31        7PZ         0.06964
  32        8D 0        0.01920   0.00590
  33        8D+1        0.00000   0.00000   0.00122
  34        8D-1        0.00000   0.00000   0.00000   0.00122
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          36
  36        8D-2        0.00000
     Beta Density Matrix:
                           1         2         3         4         5
   1 1   Cl 1S          1.08796
   2        2S         -0.32009   1.16687
   3        3S          0.03422  -0.11912   0.26435
   4        4S          0.05050  -0.18413   0.29093   0.32858
   5        5PX         0.00000   0.00000   0.00000   0.00000   1.07344
   6        5PY         0.00000   0.00000   0.00000   0.00000   0.00000
   7        5PZ        -0.00264   0.00944  -0.01690  -0.03131   0.00000
   8        6PX         0.00000   0.00000   0.00000   0.00000  -0.18110
   9        6PY         0.00000   0.00000   0.00000   0.00000   0.00000
  10        6PZ         0.00639  -0.02356   0.03915   0.07687   0.00000
  11        7PX         0.00000   0.00000   0.00000   0.00000  -0.13188
  12        7PY         0.00000   0.00000   0.00000   0.00000   0.00000
  13        7PZ         0.00337  -0.01198   0.02455   0.04536   0.00000
  14        8D 0        0.00010  -0.00032   0.00005  -0.00577   0.00000
  15        8D+1        0.00000   0.00000   0.00000   0.00000   0.00315
  16        8D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  17        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S         -0.00024   0.00097  -0.00164  -0.00477   0.00000
  20        2S          0.00097  -0.00413   0.00589   0.01799   0.00000
  21        3S         -0.00164   0.00589  -0.01273  -0.02688   0.00000
  22        4S         -0.00477   0.01799  -0.02688  -0.03904   0.00000
  23        5PX         0.00000   0.00000   0.00000   0.00000  -0.00530
  24        5PY         0.00000   0.00000   0.00000   0.00000   0.00000
  25        5PZ        -0.00133   0.00457  -0.00736   0.00484   0.00000
  26        6PX         0.00000   0.00000   0.00000   0.00000   0.01447
  27        6PY         0.00000   0.00000   0.00000   0.00000   0.00000
  28        6PZ         0.00245  -0.00836   0.01325  -0.01634   0.00000
  29        7PX         0.00000   0.00000   0.00000   0.00000   0.01943
  30        7PY         0.00000   0.00000   0.00000   0.00000   0.00000
  31        7PZ        -0.00136   0.00557  -0.00703  -0.02534   0.00000
  32        8D 0        0.00141  -0.00495   0.00819   0.00363   0.00000
  33        8D+1        0.00000   0.00000   0.00000   0.00000  -0.00858
  34        8D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                           6         7         8         9        10
   6        5PY         1.07344
   7        5PZ         0.00000   1.03566
   8        6PX         0.00000   0.00000   0.44508
   9        6PY        -0.18110   0.00000   0.00000   0.44508
  10        6PZ         0.00000  -0.08698   0.00000   0.00000   0.21432
  11        7PX         0.00000   0.00000   0.32788   0.00000   0.00000
  12        7PY        -0.13188   0.00000   0.00000   0.32788   0.00000
  13        7PZ         0.00000  -0.05043   0.00000   0.00000   0.12142
  14        8D 0        0.00000   0.01415   0.00000   0.00000  -0.03461
  15        8D+1        0.00000   0.00000  -0.00840   0.00000   0.00000
  16        8D-1        0.00315   0.00000   0.00000  -0.00840   0.00000
  17        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S          0.00000   0.00133   0.00000   0.00000  -0.00245
  20        2S          0.00000  -0.00457   0.00000   0.00000   0.00836
  21        3S          0.00000   0.00736   0.00000   0.00000  -0.01325
  22        4S          0.00000  -0.00484   0.00000   0.00000   0.01634
  23        5PX         0.00000   0.00000   0.01447   0.00000   0.00000
  24        5PY        -0.00530   0.00000   0.00000   0.01447   0.00000
  25        5PZ         0.00000  -0.03567   0.00000   0.00000   0.08542
  26        6PX         0.00000   0.00000  -0.03898   0.00000   0.00000
  27        6PY         0.01447   0.00000   0.00000  -0.03898   0.00000
  28        6PZ         0.00000   0.08542   0.00000   0.00000  -0.20435
  29        7PX         0.00000   0.00000  -0.05100   0.00000   0.00000
  30        7PY         0.01943   0.00000   0.00000  -0.05100   0.00000
  31        7PZ         0.00000   0.04942   0.00000   0.00000  -0.11812
  32        8D 0        0.00000   0.01376   0.00000   0.00000  -0.03306
  33        8D+1        0.00000   0.00000   0.02090   0.00000   0.00000
  34        8D-1       -0.00858   0.00000   0.00000   0.02090   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          11        12        13        14        15
  11        7PX         0.24267
  12        7PY         0.00000   0.24267
  13        7PZ         0.00000   0.00000   0.06964
  14        8D 0        0.00000   0.00000  -0.01920   0.00590
  15        8D+1       -0.00510   0.00000   0.00000   0.00000   0.00122
  16        8D-1        0.00000  -0.00510   0.00000   0.00000   0.00000
  17        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S          0.00000   0.00000   0.00136   0.00141   0.00000
  20        2S          0.00000   0.00000  -0.00557  -0.00495   0.00000
  21        3S          0.00000   0.00000   0.00703   0.00819   0.00000
  22        4S          0.00000   0.00000   0.02534   0.00363   0.00000
  23        5PX         0.01943   0.00000   0.00000   0.00000   0.00858
  24        5PY         0.00000   0.01943   0.00000   0.00000   0.00000
  25        5PZ         0.00000   0.00000   0.04942  -0.01376   0.00000
  26        6PX        -0.05100   0.00000   0.00000   0.00000  -0.02090
  27        6PY         0.00000  -0.05100   0.00000   0.00000   0.00000
  28        6PZ         0.00000   0.00000  -0.11812   0.03306   0.00000
  29        7PX        -0.05389   0.00000   0.00000   0.00000  -0.01488
  30        7PY         0.00000  -0.05389   0.00000   0.00000   0.00000
  31        7PZ         0.00000   0.00000  -0.06853   0.01869   0.00000
  32        8D 0        0.00000   0.00000  -0.01869   0.00566   0.00000
  33        8D+1        0.01488   0.00000   0.00000   0.00000  -0.00090
  34        8D-1        0.00000   0.01488   0.00000   0.00000   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          16        17        18        19        20
  16        8D-1        0.00122
  17        8D+2        0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000
  19 2   Cl 1S          0.00000   0.00000   0.00000   1.08796
  20        2S          0.00000   0.00000   0.00000  -0.32009   1.16687
  21        3S          0.00000   0.00000   0.00000   0.03422  -0.11912
  22        4S          0.00000   0.00000   0.00000   0.05050  -0.18413
  23        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  24        5PY         0.00858   0.00000   0.00000   0.00000   0.00000
  25        5PZ         0.00000   0.00000   0.00000   0.00264  -0.00944
  26        6PX         0.00000   0.00000   0.00000   0.00000   0.00000
  27        6PY        -0.02090   0.00000   0.00000   0.00000   0.00000
  28        6PZ         0.00000   0.00000   0.00000  -0.00639   0.02356
  29        7PX         0.00000   0.00000   0.00000   0.00000   0.00000
  30        7PY        -0.01488   0.00000   0.00000   0.00000   0.00000
  31        7PZ         0.00000   0.00000   0.00000  -0.00337   0.01198
  32        8D 0        0.00000   0.00000   0.00000   0.00010  -0.00032
  33        8D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  34        8D-1       -0.00090   0.00000   0.00000   0.00000   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          21        22        23        24        25
  21        3S          0.26435
  22        4S          0.29093   0.32858
  23        5PX         0.00000   0.00000   1.07344
  24        5PY         0.00000   0.00000   0.00000   1.07344
  25        5PZ         0.01690   0.03131   0.00000   0.00000   1.03566
  26        6PX         0.00000   0.00000  -0.18110   0.00000   0.00000
  27        6PY         0.00000   0.00000   0.00000  -0.18110   0.00000
  28        6PZ        -0.03915  -0.07687   0.00000   0.00000  -0.08698
  29        7PX         0.00000   0.00000  -0.13188   0.00000   0.00000
  30        7PY         0.00000   0.00000   0.00000  -0.13188   0.00000
  31        7PZ        -0.02455  -0.04536   0.00000   0.00000  -0.05043
  32        8D 0        0.00005  -0.00577   0.00000   0.00000  -0.01415
  33        8D+1        0.00000   0.00000  -0.00315   0.00000   0.00000
  34        8D-1        0.00000   0.00000   0.00000  -0.00315   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          26        27        28        29        30
  26        6PX         0.44508
  27        6PY         0.00000   0.44508
  28        6PZ         0.00000   0.00000   0.21432
  29        7PX         0.32788   0.00000   0.00000   0.24267
  30        7PY         0.00000   0.32788   0.00000   0.00000   0.24267
  31        7PZ         0.00000   0.00000   0.12142   0.00000   0.00000
  32        8D 0        0.00000   0.00000   0.03461   0.00000   0.00000
  33        8D+1        0.00840   0.00000   0.00000   0.00510   0.00000
  34        8D-1        0.00000   0.00840   0.00000   0.00000   0.00510
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          31        32        33        34        35
  31        7PZ         0.06964
  32        8D 0        0.01920   0.00590
  33        8D+1        0.00000   0.00000   0.00122
  34        8D-1        0.00000   0.00000   0.00000   0.00122
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          36
  36        8D-2        0.00000
    Full Mulliken population analysis:
                           1         2         3         4         5
   1 1   Cl 1S          2.17592
   2        2S         -0.17685   2.33374
   3        3S         -0.00360  -0.03943   0.52871
   4        4S          0.00468  -0.11327   0.49085   0.65716
   5        5PX         0.00000   0.00000   0.00000   0.00000   2.14687
   6        5PY         0.00000   0.00000   0.00000   0.00000   0.00000
   7        5PZ         0.00000   0.00000   0.00000   0.00000   0.00000
   8        6PX         0.00000   0.00000   0.00000   0.00000  -0.12322
   9        6PY         0.00000   0.00000   0.00000   0.00000   0.00000
  10        6PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  11        7PX         0.00000   0.00000   0.00000   0.00000  -0.02362
  12        7PY         0.00000   0.00000   0.00000   0.00000   0.00000
  13        7PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  14        8D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  15        8D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  16        8D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  17        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S          0.00000   0.00000   0.00000  -0.00003   0.00000
  20        2S          0.00000   0.00000   0.00001   0.00078   0.00000
  21        3S          0.00000   0.00001  -0.00076  -0.00627   0.00000
  22        4S         -0.00003   0.00078  -0.00627  -0.01912   0.00000
  23        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  24        5PY         0.00000   0.00000   0.00000   0.00000   0.00000
  25        5PZ         0.00000   0.00000  -0.00002   0.00013   0.00000
  26        6PX         0.00000   0.00000   0.00000   0.00000   0.00001
  27        6PY         0.00000   0.00000   0.00000   0.00000   0.00000
  28        6PZ         0.00000  -0.00005   0.00163  -0.00472   0.00000
  29        7PX         0.00000   0.00000   0.00000   0.00000   0.00038
  30        7PY         0.00000   0.00000   0.00000   0.00000   0.00000
  31        7PZ        -0.00003   0.00095  -0.00450  -0.02337   0.00000
  32        8D 0        0.00000  -0.00006   0.00142   0.00083   0.00000
  33        8D+1        0.00000   0.00000   0.00000   0.00000  -0.00002
  34        8D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                           6         7         8         9        10
   6        5PY         2.14687
   7        5PZ         0.00000   2.07132
   8        6PX         0.00000   0.00000   0.89016
   9        6PY        -0.12322   0.00000   0.00000   0.89016
  10        6PZ         0.00000  -0.05918   0.00000   0.00000   0.42865
  11        7PX         0.00000   0.00000   0.40617   0.00000   0.00000
  12        7PY        -0.02362   0.00000   0.00000   0.40617   0.00000
  13        7PZ         0.00000  -0.00903   0.00000   0.00000   0.15041
  14        8D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  15        8D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  16        8D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  17        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S          0.00000   0.00000   0.00000   0.00000   0.00000
  20        2S          0.00000   0.00000   0.00000   0.00000  -0.00005
  21        3S          0.00000  -0.00002   0.00000   0.00000   0.00163
  22        4S          0.00000   0.00013   0.00000   0.00000  -0.00472
  23        5PX         0.00000   0.00000   0.00001   0.00000   0.00000
  24        5PY         0.00000   0.00000   0.00000   0.00001   0.00000
  25        5PZ         0.00000   0.00000   0.00000   0.00000  -0.00084
  26        6PX         0.00000   0.00000  -0.00130   0.00000   0.00000
  27        6PY         0.00001   0.00000   0.00000  -0.00130   0.00000
  28        6PZ         0.00000  -0.00084   0.00000   0.00000   0.04683
  29        7PX         0.00000   0.00000  -0.01020   0.00000   0.00000
  30        7PY         0.00038   0.00000   0.00000  -0.01020   0.00000
  31        7PZ         0.00000  -0.00331   0.00000   0.00000   0.06239
  32        8D 0        0.00000  -0.00025   0.00000   0.00000   0.00991
  33        8D+1        0.00000   0.00000   0.00172   0.00000   0.00000
  34        8D-1       -0.00002   0.00000   0.00000   0.00172   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          11        12        13        14        15
  11        7PX         0.48535
  12        7PY         0.00000   0.48535
  13        7PZ         0.00000   0.00000   0.13929
  14        8D 0        0.00000   0.00000   0.00000   0.01180
  15        8D+1        0.00000   0.00000   0.00000   0.00000   0.00244
  16        8D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  17        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S          0.00000   0.00000  -0.00003   0.00000   0.00000
  20        2S          0.00000   0.00000   0.00095  -0.00006   0.00000
  21        3S          0.00000   0.00000  -0.00450   0.00142   0.00000
  22        4S          0.00000   0.00000  -0.02337   0.00083   0.00000
  23        5PX         0.00038   0.00000   0.00000   0.00000  -0.00002
  24        5PY         0.00000   0.00038   0.00000   0.00000   0.00000
  25        5PZ         0.00000   0.00000  -0.00331  -0.00025   0.00000
  26        6PX        -0.01020   0.00000   0.00000   0.00000   0.00172
  27        6PY         0.00000  -0.01020   0.00000   0.00000   0.00000
  28        6PZ         0.00000   0.00000   0.06239   0.00991   0.00000
  29        7PX        -0.03324   0.00000   0.00000   0.00000   0.00355
  30        7PY         0.00000  -0.03324   0.00000   0.00000   0.00000
  31        7PZ         0.00000   0.00000   0.05718   0.00439   0.00000
  32        8D 0        0.00000   0.00000   0.00439   0.00213   0.00000
  33        8D+1        0.00355   0.00000   0.00000   0.00000   0.00018
  34        8D-1        0.00000   0.00355   0.00000   0.00000   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          16        17        18        19        20
  16        8D-1        0.00244
  17        8D+2        0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000
  19 2   Cl 1S          0.00000   0.00000   0.00000   2.17592
  20        2S          0.00000   0.00000   0.00000  -0.17685   2.33374
  21        3S          0.00000   0.00000   0.00000  -0.00360  -0.03943
  22        4S          0.00000   0.00000   0.00000   0.00468  -0.11327
  23        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  24        5PY        -0.00002   0.00000   0.00000   0.00000   0.00000
  25        5PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  26        6PX         0.00000   0.00000   0.00000   0.00000   0.00000
  27        6PY         0.00172   0.00000   0.00000   0.00000   0.00000
  28        6PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  29        7PX         0.00000   0.00000   0.00000   0.00000   0.00000
  30        7PY         0.00355   0.00000   0.00000   0.00000   0.00000
  31        7PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  32        8D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  33        8D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  34        8D-1        0.00018   0.00000   0.00000   0.00000   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          21        22        23        24        25
  21        3S          0.52871
  22        4S          0.49085   0.65716
  23        5PX         0.00000   0.00000   2.14687
  24        5PY         0.00000   0.00000   0.00000   2.14687
  25        5PZ         0.00000   0.00000   0.00000   0.00000   2.07132
  26        6PX         0.00000   0.00000  -0.12322   0.00000   0.00000
  27        6PY         0.00000   0.00000   0.00000  -0.12322   0.00000
  28        6PZ         0.00000   0.00000   0.00000   0.00000  -0.05918
  29        7PX         0.00000   0.00000  -0.02362   0.00000   0.00000
  30        7PY         0.00000   0.00000   0.00000  -0.02362   0.00000
  31        7PZ         0.00000   0.00000   0.00000   0.00000  -0.00903
  32        8D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  33        8D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  34        8D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          26        27        28        29        30
  26        6PX         0.89016
  27        6PY         0.00000   0.89016
  28        6PZ         0.00000   0.00000   0.42865
  29        7PX         0.40617   0.00000   0.00000   0.48535
  30        7PY         0.00000   0.40617   0.00000   0.00000   0.48535
  31        7PZ         0.00000   0.00000   0.15041   0.00000   0.00000
  32        8D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  33        8D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  34        8D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          31        32        33        34        35
  31        7PZ         0.13929
  32        8D 0        0.00000   0.01180
  33        8D+1        0.00000   0.00000   0.00244
  34        8D-1        0.00000   0.00000   0.00000   0.00244
  35        8D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000   0.00000
                          36
  36        8D-2        0.00000
     Gross orbital populations:
                         Total     Alpha     Beta      Spin
   1 1   Cl 1S          2.00009   1.00005   1.00005   0.00000
   2        2S          2.00583   1.00292   1.00292   0.00000
   3        3S          0.96804   0.48402   0.48402   0.00000
   4        4S          0.98765   0.49383   0.49383   0.00000
   5        5PX         2.00040   1.00020   1.00020   0.00000
   6        5PY         2.00040   1.00020   1.00020   0.00000
   7        5PZ         1.99882   0.99941   0.99941   0.00000
   8        6PX         1.16335   0.58168   0.58168   0.00000
   9        6PY         1.16335   0.58168   0.58168   0.00000
  10        6PZ         0.63503   0.31751   0.31751   0.00000
  11        7PX         0.82839   0.41419   0.41419   0.00000
  12        7PY         0.82839   0.41419   0.41419   0.00000
  13        7PZ         0.37436   0.18718   0.18718   0.00000
  14        8D 0        0.03017   0.01509   0.01509   0.00000
  15        8D+1        0.00786   0.00393   0.00393   0.00000
  16        8D-1        0.00786   0.00393   0.00393   0.00000
  17        8D+2        0.00000   0.00000   0.00000   0.00000
  18        8D-2        0.00000   0.00000   0.00000   0.00000
  19 2   Cl 1S          2.00009   1.00005   1.00005   0.00000
  20        2S          2.00583   1.00292   1.00292   0.00000
  21        3S          0.96804   0.48402   0.48402   0.00000
  22        4S          0.98765   0.49383   0.49383   0.00000
  23        5PX         2.00040   1.00020   1.00020   0.00000
  24        5PY         2.00040   1.00020   1.00020   0.00000
  25        5PZ         1.99882   0.99941   0.99941   0.00000
  26        6PX         1.16335   0.58168   0.58168   0.00000
  27        6PY         1.16335   0.58168   0.58168   0.00000
  28        6PZ         0.63503   0.31751   0.31751   0.00000
  29        7PX         0.82839   0.41419   0.41419   0.00000
  30        7PY         0.82839   0.41419   0.41419   0.00000
  31        7PZ         0.37436   0.18718   0.18718   0.00000
  32        8D 0        0.03017   0.01509   0.01509   0.00000
  33        8D+1        0.00786   0.00393   0.00393   0.00000
  34        8D-1        0.00786   0.00393   0.00393   0.00000
  35        8D+2        0.00000   0.00000   0.00000   0.00000
  36        8D-2        0.00000   0.00000   0.00000   0.00000
          Condensed to atoms (all electrons):
               1          2
     1  Cl  16.922715   0.077285
     2  Cl   0.077285  16.922715
          Atomic-Atomic Spin Densities.
               1          2
     1  Cl   0.000000   0.000000
     2  Cl   0.000000   0.000000
 Mulliken charges and spin densities:
               1          2
     1  Cl   0.000000   0.000000
     2  Cl   0.000000   0.000000
 Sum of Mulliken charges =   0.00000   0.00000
 Mulliken charges and spin densities with hydrogens summed into heavy atoms:
               1          2
     1  Cl   0.000000   0.000000
     2  Cl   0.000000   0.000000
 Electronic spatial extent (au):  <R**2>=            177.9257
 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=            -25.5401   YY=            -25.5401   ZZ=            -22.2243
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.1053   YY=             -1.1053   ZZ=              2.2105
   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=            -27.5738 YYYY=            -27.5738 ZZZZ=           -151.8150 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -9.1913 XXZZ=            -34.8585 YYZZ=            -34.8585
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 7.584109110850D+01 E-N=-2.339903072263D+03  KE= 9.190747799908D+02
 Symmetry AG   KE= 3.695468650429D+02
 Symmetry B1G  KE= 3.889564503872D-35
 Symmetry B2G  KE= 4.633552894602D+01
 Symmetry B3G  KE= 4.633552894602D+01
 Symmetry AU   KE= 8.016593626367D-35
 Symmetry B1U  KE= 3.656842357618D+02
 Symmetry B2U  KE= 4.558631064705D+01
 Symmetry B3U  KE= 4.558631064705D+01
 Orbital energies and kinetic energies (alpha):
                                 1                 2
   1 (SGG)--O               -104.895228        137.133433
   2 (SGU)--O               -104.895226        137.134079
   3 (SGG)--O                -10.619479         21.793525
   4 (SGU)--O                -10.619375         21.791399
   5 (SGG)--O                 -8.087567         20.615406
   6 (SGU)--O                 -8.087361         20.623506
   7 (PIU)--O                 -8.082156         20.652826
   8 (PIU)--O                 -8.082156         20.652826
   9 (PIG)--O                 -8.082148         20.654553
  10 (PIG)--O                 -8.082148         20.654553
  11 (SGG)--O                 -1.215576          2.809090
  12 (SGU)--O                 -1.020113          3.293135
  13 (SGG)--O                 -0.591726          2.421979
  14 (PIU)--O                 -0.566098          2.140329
  15 (PIU)--O                 -0.566098          2.140329
  16 (PIG)--O                 -0.447719          2.513211
  17 (PIG)--O                 -0.447719          2.513211
  18 (SGU)--V                  0.031405          2.662832
  19 (SGG)--V                  0.621936          1.871629
  20 (SGU)--V                  0.679000          3.407074
  21 (PIU)--V                  0.703808          3.172979
  22 (PIU)--V                  0.703808          3.172979
  23 (PIG)--V                  0.758687          3.026127
  24 (PIG)--V                  0.758687          3.026127
  25 (SGG)--V                  0.763289          3.552473
  26 (PIU)--V                  0.786123          2.005035
  27 (PIU)--V                  0.786123          2.005035
  28 (DLTG)--V                 0.915625          2.066898
  29 (DLTG)--V                 0.915625          2.066898
  30 (SGU)--V                  0.964252          3.445144
  31 (DLTU)--V                 0.972406          2.133962
  32 (DLTU)--V                 0.972406          2.133962
  33 (SGG)--V                  1.058591          3.756223
  34 (PIG)--V                  1.162102          2.419200
  35 (PIG)--V                  1.162102          2.419200
  36 (SGU)--V                  1.623438          3.175315
 Total kinetic energy from orbitals= 9.190747799908D+02
                          Isotropic Fermi Contact Couplings
        Atom                 a.u.       MegaHertz       Gauss      10(-4) cm-1
     1  Cl(35)             0.00000       0.00000       0.00000       0.00000
     2  Cl(35)             0.00000       0.00000       0.00000       0.00000
 --------------------------------------------------------
       Center         ----  Spin Dipole Couplings  ----
                      3XX-RR        3YY-RR        3ZZ-RR
 --------------------------------------------------------
     1   Atom        0.000000      0.000000      0.000000
     2   Atom        0.000000      0.000000      0.000000
 --------------------------------------------------------
                        XY            XZ            YZ
 --------------------------------------------------------
     1   Atom        0.000000      0.000000      0.000000
     2   Atom        0.000000      0.000000      0.000000
 --------------------------------------------------------


 ---------------------------------------------------------------------------------
              Anisotropic Spin Dipole Couplings in Principal Axis System
 ---------------------------------------------------------------------------------

       Atom             a.u.   MegaHertz   Gauss  10(-4) cm-1        Axes

              Baa     0.0000     0.000     0.000     0.000  1.0000  0.0000  0.0000
     1 Cl(35) Bbb     0.0000     0.000     0.000     0.000  0.0000  1.0000  0.0000
              Bcc     0.0000     0.000     0.000     0.000  0.0000  0.0000  1.0000
 
              Baa     0.0000     0.000     0.000     0.000  1.0000  0.0000  0.0000
     2 Cl(35) Bbb     0.0000     0.000     0.000     0.000  0.0000  1.0000  0.0000
              Bcc     0.0000     0.000     0.000     0.000  0.0000  0.0000  1.0000
 

 ---------------------------------------------------------------------------------

 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Mar 25 23:53:44 2019, MaxMem=    33554432 cpu:         0.2
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
 1\1\GINC-COMPUTE-40-0\SP\ROCCSD(T)-FC\CC-pVDZ\Cl2\LOOS\25-Mar-2019\0\\
 #p ROCCSD(T) cc-pVDZ pop=full gfprint\\G2\\0,1\Cl\Cl,1,2.01648224\\Ver
 sion=ES64L-G09RevD.01\State=1-SGG\HF=-918.9609461\MP2=-919.2318934\MP3
 =-919.2563979\PUHF=-918.9609461\PMP2-0=-919.2318934\MP4SDQ=-919.257489
 4\CCSD=-919.2575064\CCSD(T)=-919.2639061\RMSD=1.057e-09\PG=D*H [C*(Cl1
 .Cl1)]\\@


 ... THE UNIVERSE IS NOT ONLY QUEERER THAN WE SUPPOSE,
 BUT QUEERER THAN WE CAN SUPPOSE ... 

                                   -- J. B. S. HALDANE
 Job cpu time:       0 days  0 hours  0 minutes 12.9 seconds.
 File lengths (MBytes):  RWF=     55 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 09 at Mon Mar 25 23:53:44 2019.