Entering Gaussian System, Link 0=g09
 Input=BeH.inp
 Output=BeH.out
 Initial command:
 /share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/41496/Gau-39782.inp" -scrdir="/mnt/beegfs/tmpdir/41496/"
 Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID=     39783.
  
 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 23:37:52 2019, MaxMem=           0 cpu:         0.1
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
 --
 G2
 --
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 2
 Be
 H                    1    RBEH
       Variables:
  RBEH                  1.34381                  
 
 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=           9           1
 AtmWgt=   9.0121825   1.0078250
 NucSpn=           3           1
 AtZEff=   0.0000000   0.0000000
 NQMom=    5.2880000   0.0000000
 NMagM=   -1.1779000   2.7928460
 AtZNuc=   4.0000000   1.0000000
 Leave Link  101 at Mon Mar 25 23:37:53 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          4           0        0.000000    0.000000    0.000000
      2          1           0        0.000000    0.000000    1.343807
 ---------------------------------------------------------------------
 Stoichiometry    BeH(2)
 Framework group  C*V[C*(HBe)]
 Deg. of freedom     1
 Full point group                 C*V     NOp   4
 Largest Abelian subgroup         C2V     NOp   4
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          4           0        0.000000    0.000000    0.268761
      2          1           0        0.000000    0.000000   -1.075046
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0000000    308.7422835    308.7422835
 Leave Link  202 at Mon Mar 25 23:37:53 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:  2 primitive shells out of 27 were deleted.
 AO basis set (Overlap normalization):
 Atom Be1      Shell     1 S   7     bf    1 -     1          0.000000000000          0.000000000000          0.507885565813
      0.2940000000D+04  0.6808458737D-03
      0.4412000000D+03  0.5242960077D-02
      0.1005000000D+03  0.2663953212D-01
      0.2843000000D+02  0.1001463950D+00
      0.9169000000D+01  0.2701437812D+00
      0.3196000000D+01  0.4529540905D+00
      0.1159000000D+01  0.2973339273D+00
 Atom Be1      Shell     2 S   7     bf    2 -     2          0.000000000000          0.000000000000          0.507885565813
      0.2940000000D+04  0.5041655189D-05
      0.1005000000D+03  0.1593778144D-03
      0.2843000000D+02 -0.1778962862D-02
      0.9169000000D+01 -0.7234511580D-02
      0.3196000000D+01 -0.7688272080D-01
      0.1159000000D+01 -0.1622588292D+00
      0.1811000000D+00  0.1094969306D+01
 Atom Be1      Shell     3 S   1     bf    3 -     3          0.000000000000          0.000000000000          0.507885565813
      0.5890000000D-01  0.1000000000D+01
 Atom Be1      Shell     4 P   3     bf    4 -     6          0.000000000000          0.000000000000          0.507885565813
      0.3619000000D+01  0.4556067900D-01
      0.7110000000D+00  0.2650676513D+00
      0.1951000000D+00  0.8035964108D+00
 Atom Be1      Shell     5 P   1     bf    7 -     9          0.000000000000          0.000000000000          0.507885565813
      0.6018000000D-01  0.1000000000D+01
 Atom Be1      Shell     6 D   1     bf   10 -    14          0.000000000000          0.000000000000          0.507885565813
      0.2380000000D+00  0.1000000000D+01
 Atom H2       Shell     7 S   3     bf   15 -    15          0.000000000000          0.000000000000         -2.031542263251
      0.1301000000D+02  0.3349872639D-01
      0.1962000000D+01  0.2348008012D+00
      0.4446000000D+00  0.8136829579D+00
 Atom H2       Shell     8 S   1     bf   16 -    16          0.000000000000          0.000000000000         -2.031542263251
      0.1220000000D+00  0.1000000000D+01
 Atom H2       Shell     9 P   1     bf   17 -    19          0.000000000000          0.000000000000         -2.031542263251
      0.7270000000D+00  0.1000000000D+01
 There are    11 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     1 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     4 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     4 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    10 symmetry adapted basis functions of A1  symmetry.
 There are     1 symmetry adapted basis functions of A2  symmetry.
 There are     4 symmetry adapted basis functions of B1  symmetry.
 There are     4 symmetry adapted basis functions of B2  symmetry.
    19 basis functions,    40 primitive gaussians,    20 cartesian basis functions
     3 alpha electrons        2 beta electrons
       nuclear repulsion energy         1.5751579762 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=    2 SFac= 1.00D+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 23:37:53 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.
 NBasis=    19 RedAO= T EigKep=  7.47D-02  NBF=    10     1     4     4
 NBsUse=    19 1.00D-06 EigRej= -1.00D+00 NBFU=    10     1     4     4
 Leave Link  302 at Mon Mar 25 23:37:54 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 23:37:55 2019, MaxMem=    33554432 cpu:         0.0
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
 ExpMin= 5.89D-02 ExpMax= 2.94D+03 ExpMxC= 1.01D+02 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= -15.1059900525107    
 JPrj=0 DoOrth=F DoCkMO=F.
 Initial guess orbital symmetries:
       Occupied  (SG) (SG) (SG)
       Virtual   (PI) (PI) (SG) (SG) (PI) (PI) (SG) (PI) (PI) (DLTA)
                 (DLTA) (SG) (SG) (PI) (PI) (SG)
 The electronic state of the initial guess is 2-SG.
 Leave Link  401 at Mon Mar 25 23:37:55 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=868738.
 IVT=       20196 IEndB=       20196 NGot=    33554432 MDV=    33522678
 LenX=    33522678 LenY=    33521796
 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=    190 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.

 Cycle   1  Pass 1  IDiag  1:
 E= -15.1364074205373    
 DIIS: error= 2.67D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -15.1364074205373     IErMin= 1 ErrMin= 2.67D-02
 ErrMax= 2.67D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.52D-03 BMatP= 9.52D-03
 IDIUse=3 WtCom= 7.33D-01 WtEn= 2.67D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.160 Goal=   None    Shift=    0.000
 GapD=    0.160 DampG=1.000 DampE=0.500 DampFc=0.5000 IDamp=-1.
 Damping current iteration by 5.00D-01
 RMSDP=1.12D-02 MaxDP=1.65D-01              OVMax= 1.18D-01

 Cycle   2  Pass 1  IDiag  1:
 E= -15.1418281155593     Delta-E=       -0.005420695022 Rises=F Damp=T
 DIIS: error= 1.12D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -15.1418281155593     IErMin= 2 ErrMin= 1.12D-02
 ErrMax= 1.12D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.14D-03 BMatP= 9.52D-03
 IDIUse=3 WtCom= 8.88D-01 WtEn= 1.12D-01
 Coeff-Com: -0.739D+00 0.174D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.656D+00 0.166D+01
 Gap=     0.131 Goal=   None    Shift=    0.000
 RMSDP=5.99D-03 MaxDP=6.08D-02 DE=-5.42D-03 OVMax= 7.35D-02

 Cycle   3  Pass 1  IDiag  1:
 E= -15.1477052697496     Delta-E=       -0.005877154190 Rises=F Damp=F
 DIIS: error= 8.97D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -15.1477052697496     IErMin= 3 ErrMin= 8.97D-03
 ErrMax= 8.97D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.63D-04 BMatP= 2.14D-03
 IDIUse=3 WtCom= 9.10D-01 WtEn= 8.97D-02
 Coeff-Com: -0.492D+00 0.906D+00 0.586D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.448D+00 0.825D+00 0.623D+00
 Gap=     0.134 Goal=   None    Shift=    0.000
 RMSDP=5.53D-03 MaxDP=8.30D-02 DE=-5.88D-03 OVMax= 4.12D-02

 Cycle   4  Pass 1  IDiag  1:
 E= -15.1490862795854     Delta-E=       -0.001381009836 Rises=F Damp=F
 DIIS: error= 4.44D-03 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -15.1490862795854     IErMin= 4 ErrMin= 4.44D-03
 ErrMax= 4.44D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-04 BMatP= 5.63D-04
 IDIUse=3 WtCom= 9.56D-01 WtEn= 4.44D-02
 Coeff-Com: -0.294D+00 0.545D+00 0.237D-01 0.725D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.281D+00 0.521D+00 0.227D-01 0.737D+00
 Gap=     0.134 Goal=   None    Shift=    0.000
 RMSDP=1.24D-03 MaxDP=1.86D-02 DE=-1.38D-03 OVMax= 1.12D-02

 Cycle   5  Pass 1  IDiag  1:
 E= -15.1492919488062     Delta-E=       -0.000205669221 Rises=F Damp=F
 DIIS: error= 2.85D-03 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -15.1492919488062     IErMin= 5 ErrMin= 2.85D-03
 ErrMax= 2.85D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.04D-05 BMatP= 1.20D-04
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.85D-02
 Coeff-Com: -0.767D-03 0.653D-02-0.500D-01-0.162D+01 0.267D+01
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.745D-03 0.634D-02-0.486D-01-0.158D+01 0.262D+01
 Gap=     0.135 Goal=   None    Shift=    0.000
 RMSDP=2.35D-03 MaxDP=3.39D-02 DE=-2.06D-04 OVMax= 2.09D-02

 Cycle   6  Pass 1  IDiag  1:
 E= -15.1494410346964     Delta-E=       -0.000149085890 Rises=F Damp=F
 DIIS: error= 2.49D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -15.1494410346964     IErMin= 6 ErrMin= 2.49D-05
 ErrMax= 2.49D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.13D-09 BMatP= 5.04D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.387D-03-0.178D-02 0.157D-01-0.267D-01-0.937D-02 0.102D+01
 Coeff:      0.387D-03-0.178D-02 0.157D-01-0.267D-01-0.937D-02 0.102D+01
 Gap=     0.135 Goal=   None    Shift=    0.000
 RMSDP=2.22D-05 MaxDP=2.71D-04 DE=-1.49D-04 OVMax= 1.45D-04

 Cycle   7  Pass 1  IDiag  1:
 E= -15.1494410519535     Delta-E=       -0.000000017257 Rises=F Damp=F
 DIIS: error= 7.64D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -15.1494410519535     IErMin= 7 ErrMin= 7.64D-06
 ErrMax= 7.64D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.27D-10 BMatP= 8.13D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.259D-03-0.436D-03-0.132D-02 0.182D-01-0.222D-01-0.620D-01
 Coeff-Com:  0.107D+01
 Coeff:      0.259D-03-0.436D-03-0.132D-02 0.182D-01-0.222D-01-0.620D-01
 Coeff:      0.107D+01
 Gap=     0.135 Goal=   None    Shift=    0.000
 RMSDP=3.43D-06 MaxDP=4.85D-05 DE=-1.73D-08 OVMax= 3.39D-05

 Cycle   8  Pass 1  IDiag  1:
 E= -15.1494410528443     Delta-E=       -0.000000000891 Rises=F Damp=F
 DIIS: error= 1.99D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -15.1494410528443     IErMin= 8 ErrMin= 1.99D-06
 ErrMax= 1.99D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-11 BMatP= 3.27D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.121D-04-0.166D-05 0.376D-03 0.636D-03-0.190D-02 0.118D-01
 Coeff-Com: -0.239D+00 0.123D+01
 Coeff:     -0.121D-04-0.166D-05 0.376D-03 0.636D-03-0.190D-02 0.118D-01
 Coeff:     -0.239D+00 0.123D+01
 Gap=     0.135 Goal=   None    Shift=    0.000
 RMSDP=1.64D-06 MaxDP=2.23D-05 DE=-8.91D-10 OVMax= 1.46D-05

 Cycle   9  Pass 1  IDiag  1:
 E= -15.1494410529190     Delta-E=       -0.000000000075 Rises=F Damp=F
 DIIS: error= 8.88D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -15.1494410529190     IErMin= 9 ErrMin= 8.88D-08
 ErrMax= 8.88D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-13 BMatP= 2.32D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.810D-05-0.136D-04-0.445D-04 0.542D-03-0.894D-03 0.495D-03
 Coeff-Com:  0.484D-01-0.367D+00 0.132D+01
 Coeff:      0.810D-05-0.136D-04-0.445D-04 0.542D-03-0.894D-03 0.495D-03
 Coeff:      0.484D-01-0.367D+00 0.132D+01
 Gap=     0.135 Goal=   None    Shift=    0.000
 RMSDP=1.74D-07 MaxDP=2.63D-06 DE=-7.47D-11 OVMax= 1.39D-06

 Cycle  10  Pass 1  IDiag  1:
 E= -15.1494410529194     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 7.30D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -15.1494410529194     IErMin=10 ErrMin= 7.30D-08
 ErrMax= 7.30D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.25D-14 BMatP= 1.03D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.136D-05-0.255D-05 0.239D-06-0.273D-04 0.790D-04-0.120D-03
 Coeff-Com: -0.392D-03 0.159D-01-0.135D+00 0.112D+01
 Coeff:      0.136D-05-0.255D-05 0.239D-06-0.273D-04 0.790D-04-0.120D-03
 Coeff:     -0.392D-03 0.159D-01-0.135D+00 0.112D+01
 Gap=     0.135 Goal=   None    Shift=    0.000
 RMSDP=4.93D-08 MaxDP=6.67D-07 DE=-3.27D-13 OVMax= 4.40D-07

 Cycle  11  Pass 1  IDiag  1:
 E= -15.1494410529195     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 1.30D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -15.1494410529195     IErMin=11 ErrMin= 1.30D-08
 ErrMax= 1.30D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-15 BMatP= 3.25D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.183D-07-0.845D-07 0.109D-05 0.174D-06 0.259D-06 0.265D-04
 Coeff-Com: -0.641D-03 0.401D-02-0.115D-01-0.922D-01 0.110D+01
 Coeff:      0.183D-07-0.845D-07 0.109D-05 0.174D-06 0.259D-06 0.265D-04
 Coeff:     -0.641D-03 0.401D-02-0.115D-01-0.922D-01 0.110D+01
 Gap=     0.135 Goal=   None    Shift=    0.000
 RMSDP=1.04D-08 MaxDP=1.42D-07 DE=-1.17D-13 OVMax= 9.28D-08

 Cycle  12  Pass 1  IDiag  1:
 E= -15.1494410529195     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 2.40D-10 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -15.1494410529195     IErMin=12 ErrMin= 2.40D-10
 ErrMax= 2.40D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.50D-19 BMatP= 1.02D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.172D-07-0.340D-07-0.116D-07 0.121D-05-0.224D-05 0.504D-05
 Coeff-Com:  0.554D-04-0.488D-03 0.577D-03 0.985D-02-0.988D-01 0.109D+01
 Coeff:      0.172D-07-0.340D-07-0.116D-07 0.121D-05-0.224D-05 0.504D-05
 Coeff:      0.554D-04-0.488D-03 0.577D-03 0.985D-02-0.988D-01 0.109D+01
 Gap=     0.135 Goal=   None    Shift=    0.000
 RMSDP=1.27D-10 MaxDP=1.87D-09 DE= 1.07D-14 OVMax= 8.08D-10

 SCF Done:  E(ROHF) =  -15.1494410529     A.U. after   12 cycles
            NFock= 12  Conv=0.13D-09     -V/T= 2.0004
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7500 S= 0.5000
 <L.S>= 0.000000000000E+00
 KE= 1.514339738119D+01 PE=-3.791940321666D+01 EE= 6.051406806323D+00
 Annihilation of the first spin contaminant:
 S**2 before annihilation     0.7500,   after     0.7500
 Leave Link  502 at Mon Mar 25 23:37:56 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=  4 NOp2=4 NOpUse=  4 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>= 0.5000 <S**2>= 0.7500 S= 0.5000
 ExpMin= 5.89D-02 ExpMax= 2.94D+03 ExpMxC= 1.01D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         5 IDoV=-2 UseB2=F ITyADJ=14
 ICtDFT= 12500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Largest valence mixing into a core orbital is  2.62D-04
 Largest core mixing into a valence orbital is  8.84D-05
 Largest valence mixing into a core orbital is  2.87D-04
 Largest core mixing into a valence orbital is  7.81D-05
 Range of M.O.s used for correlation:     2    19
 NBasis=    19 NAE=     3 NBE=     2 NFC=     1 NFV=     0
 NROrb=     18 NOA=     2 NOB=     1 NVA=    16 NVB=    17
 Singles contribution to E2=   -0.1402127199D-03
 Leave Link  801 at Mon Mar 25 23:37:57 2019, MaxMem=    33554432 cpu:         0.2
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe)
 Open-shell transformation, MDV=    33554432 ITran=4 ISComp=2.
 Semi-Direct transformation.
 ModeAB=           2 MOrb=             2 LenV=      33383804
 LASXX=         1396 LTotXX=        1396 LenRXX=        1396
 LTotAB=        1812 MaxLAS=        7560 LenRXY=        7560
 NonZer=        8424 LenScr=      720896 LnRSAI=           0
 LnScr1=           0 LExtra=           0 Total=       729852
 MaxDsk=          -1 SrtSym=           F ITran=            4
 DoSDTr:  NPSUse=  1
 JobTyp=1 Pass  1:  I=   1 to   2.
 (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=           2 MOrb=             1 LenV=      33383804
 LASXX=          729 LTotXX=         729 LenRXX=        3780
 LTotAB=         720 MaxLAS=        3780 LenRXY=         720
 NonZer=        4212 LenScr=      720896 LnRSAI=           0
 LnScr1=           0 LExtra=           0 Total=       725396
 MaxDsk=          -1 SrtSym=           F ITran=            4
 DoSDTr:  NPSUse=  1
 JobTyp=2 Pass  1:  I=   1 to   1.
 (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 =       0.7708596037D-03 E2=     -0.1191880949D-02
     alpha-beta  T2 =       0.1255859626D-01 E2=     -0.2634043808D-01
     beta-beta   T2 =       0.0000000000D+00 E2=      0.0000000000D+00
 ANorm=    0.1006721678D+01
 E2 =    -0.2767253175D-01 EUMP2 =    -0.15177113584668D+02
 (S**2,0)=  0.75000D+00           (S**2,1)=  0.75000D+00
 E(PUHF)=      -0.15149441053D+02        E(PMP2)=      -0.15177113585D+02
 Leave Link  804 at Mon Mar 25 23:37:57 2019, MaxMem=    33554432 cpu:         0.2
 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe)
 CIDS:  MDV=    33554432.
 Frozen-core window:  NFC=   1 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=840442.
 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=    190 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=         6
 NAB=     2 NAA=     1 NBB=     0.
 DD1Dir will call FoFMem   1 times, MxPair=         6
 NAB=     2 NAA=     1 NBB=     0.
 MP4(R+Q)=  0.77803956D-02
 Maximum subspace dimension=  5
 Norm of the A-vectors is  3.2552119D-03 conv= 1.00D-05.
 RLE energy=       -0.0273110292
 E3=       -0.74101610D-02        EROMP3=      -0.15184523746D+02
 E4(SDQ)=  -0.20777382D-02        ROMP4(SDQ)=  -0.15186601484D+02
 VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
 DE(Corr)= -0.27306091E-01 E(Corr)=     -15.176747144    
 NORM(A)=   0.10065115D+01
 Iteration Nr.   2
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=         6
 NAB=     2 NAA=     1 NBB=     0.
 Norm of the A-vectors is  6.1037024D-02 conv= 1.00D-05.
 RLE energy=       -0.0279024170
 DE(Corr)= -0.34622584E-01 E(CORR)=     -15.184063637     Delta=-7.32D-03
 NORM(A)=   0.10068282D+01
 Iteration Nr.   3
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=         6
 NAB=     2 NAA=     1 NBB=     0.
 Norm of the A-vectors is  5.8109329D-02 conv= 1.00D-05.
 RLE energy=       -0.0294520485
 DE(Corr)= -0.34801278E-01 E(CORR)=     -15.184242331     Delta=-1.79D-04
 NORM(A)=   0.10077943D+01
 Iteration Nr.   4
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=         6
 NAB=     2 NAA=     1 NBB=     0.
 Norm of the A-vectors is  4.9780918D-02 conv= 1.00D-05.
 RLE energy=        0.0069383008
 DE(Corr)= -0.35322257E-01 E(CORR)=     -15.184763310     Delta=-5.21D-04
 NORM(A)=   0.10191858D+01
 Iteration Nr.   5
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=         6
 NAB=     2 NAA=     1 NBB=     0.
 Norm of the A-vectors is  2.3936179D-01 conv= 1.00D-05.
 RLE energy=       -0.0341299735
 DE(Corr)= -0.22025658E-01 E(CORR)=     -15.171466710     Delta= 1.33D-02
 NORM(A)=   0.10122214D+01
 Iteration Nr.   6
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=         6
 NAB=     2 NAA=     1 NBB=     0.
 Norm of the A-vectors is  2.2728216D-02 conv= 1.00D-05.
 RLE energy=       -0.0385590819
 DE(Corr)= -0.37035711E-01 E(CORR)=     -15.186476764     Delta=-1.50D-02
 NORM(A)=   0.10167070D+01
 Iteration Nr.   7
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=         6
 NAB=     2 NAA=     1 NBB=     0.
 Norm of the A-vectors is  1.5177785D-03 conv= 1.00D-05.
 RLE energy=       -0.0383885203
 DE(Corr)= -0.38465730E-01 E(CORR)=     -15.187906783     Delta=-1.43D-03
 NORM(A)=   0.10163320D+01
 Iteration Nr.   8
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=         6
 NAB=     2 NAA=     1 NBB=     0.
 Norm of the A-vectors is  1.4877874D-04 conv= 1.00D-05.
 RLE energy=       -0.0384020899
 DE(Corr)= -0.38388132E-01 E(CORR)=     -15.187829185     Delta= 7.76D-05
 NORM(A)=   0.10163602D+01
 Iteration Nr.   9
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=         6
 NAB=     2 NAA=     1 NBB=     0.
 Norm of the A-vectors is  1.1464251D-04 conv= 1.00D-05.
 RLE energy=       -0.0383837773
 DE(Corr)= -0.38394747E-01 E(CORR)=     -15.187835800     Delta=-6.61D-06
 NORM(A)=   0.10163202D+01
 Iteration Nr.  10
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=         6
 NAB=     2 NAA=     1 NBB=     0.
 Norm of the A-vectors is  4.5439703D-05 conv= 1.00D-05.
 RLE energy=       -0.0383884057
 DE(Corr)= -0.38386372E-01 E(CORR)=     -15.187827424     Delta= 8.38D-06
 NORM(A)=   0.10163292D+01
 Iteration Nr.  11
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=         6
 NAB=     2 NAA=     1 NBB=     0.
 Norm of the A-vectors is  3.4597493D-06 conv= 1.00D-05.
 RLE energy=       -0.0383884389
 DE(Corr)= -0.38388413E-01 E(CORR)=     -15.187829466     Delta=-2.04D-06
 NORM(A)=   0.10163293D+01
 Iteration Nr.  12
 **********************
 DD1Dir will call FoFMem   1 times, MxPair=         6
 NAB=     2 NAA=     1 NBB=     0.
 Norm of the A-vectors is  9.0142800D-07 conv= 1.00D-05.
 RLE energy=       -0.0383884341
 DE(Corr)= -0.38388434E-01 E(CORR)=     -15.187829487     Delta=-2.12D-08
 NORM(A)=   0.10163293D+01
 CI/CC converged in   12 iterations to DelEn=-2.12D-08 Conv= 1.00D-07 ErrA1= 9.01D-07 Conv= 1.00D-05
 Largest amplitude= 4.03D-02
 Time for triples=        0.39 seconds.
 T4(CCSD)= -0.40353201D-03
 T5(CCSD)= -0.47927977D-05
 CCSD(T)= -0.15188237812D+02
 Discarding MO integrals.
 Leave Link  913 at Mon Mar 25 23:38:01 2019, MaxMem=    33554432 cpu:         1.8
 (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  (SG) (SG) (SG)
       Virtual   (PI) (PI) (SG) (SG) (PI) (PI) (SG) (PI) (PI) (DLTA)
                 (DLTA) (SG) (SG) (PI) (PI) (SG)
 The electronic state is 2-SG.
 Alpha  occ. eigenvalues --   -4.71811  -0.48235  -0.30971
 Alpha virt. eigenvalues --    0.04970   0.04970   0.17167   0.28029   0.34408
 Alpha virt. eigenvalues --    0.34408   0.37210   0.61103   0.61103   0.63742
 Alpha virt. eigenvalues --    0.63742   0.67880   1.17795   1.81252   1.81252
 Alpha virt. eigenvalues --    2.27779
     Molecular Orbital Coefficients:
                           1         2         3         4         5
                           O         O         O         V         V
     Eigenvalues --    -4.71811  -0.48235  -0.30971   0.04970   0.04970
   1 1   Be 1S          0.99835  -0.12741  -0.12669   0.00000   0.00000
   2        2S          0.01271   0.27579   0.37305   0.00000   0.00000
   3        3S         -0.00449   0.14738   0.45150   0.00000   0.00000
   4        4PX         0.00000   0.00000   0.00000   0.00000   0.28033
   5        4PY         0.00000   0.00000   0.00000   0.28033   0.00000
   6        4PZ         0.00129  -0.24344   0.43422   0.00000   0.00000
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.80647
   8        5PY         0.00000   0.00000   0.00000   0.80647   0.00000
   9        5PZ        -0.00061  -0.04459   0.25845   0.00000   0.00000
  10        6D 0        0.00009   0.03682   0.01943   0.00000   0.00000
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00703
  12        6D-1        0.00000   0.00000   0.00000   0.00703   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   H  1S          0.00179   0.39957  -0.12322   0.00000   0.00000
  16        2S          0.00033   0.22614  -0.07425   0.00000   0.00000
  17        3PX         0.00000   0.00000   0.00000   0.00000   0.01068
  18        3PY         0.00000   0.00000   0.00000   0.01068   0.00000
  19        3PZ         0.00130   0.02257  -0.00413   0.00000   0.00000
                           6         7         8         9        10
                           V         V         V         V         V
     Eigenvalues --     0.17167   0.28029   0.34408   0.34408   0.37210
   1 1   Be 1S          0.01055  -0.00858   0.00000   0.00000   0.00470
   2        2S          0.20115   1.45391   0.00000   0.00000  -0.82327
   3        3S         -1.68559  -1.43636   0.00000   0.00000  -0.43144
   4        4PX         0.00000   0.00000   0.00000   1.20249   0.00000
   5        4PY         0.00000   0.00000   1.20249   0.00000   0.00000
   6        4PZ        -0.07991   0.50346   0.00000   0.00000   1.00124
   7        5PX         0.00000   0.00000   0.00000  -0.94176   0.00000
   8        5PY         0.00000   0.00000  -0.94176   0.00000   0.00000
   9        5PZ         1.64000  -0.56771   0.00000   0.00000   0.11903
  10        6D 0       -0.05726  -0.00278   0.00000   0.00000   0.15564
  11        6D+1        0.00000   0.00000   0.00000   0.00980   0.00000
  12        6D-1        0.00000   0.00000   0.00980   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   H  1S          0.14142  -0.02173   0.00000   0.00000  -0.04230
  16        2S          1.73297   0.00907   0.00000   0.00000   1.60740
  17        3PX         0.00000   0.00000   0.00000   0.02266   0.00000
  18        3PY         0.00000   0.00000   0.02266   0.00000   0.00000
  19        3PZ         0.03267  -0.00270   0.00000   0.00000  -0.02119
                          11        12        13        14        15
                           V         V         V         V         V
     Eigenvalues --     0.61103   0.61103   0.63742   0.63742   0.67880
   1 1   Be 1S          0.00000   0.00000   0.00000   0.00000  -0.05990
   2        2S          0.00000   0.00000   0.00000   0.00000  -0.28659
   3        3S          0.00000   0.00000   0.00000   0.00000  -1.45334
   4        4PX         0.00548   0.00000   0.00000   0.00000   0.00000
   5        4PY         0.00000   0.00548   0.00000   0.00000   0.00000
   6        4PZ         0.00000   0.00000   0.00000   0.00000   0.24734
   7        5PX        -0.00081   0.00000   0.00000   0.00000   0.00000
   8        5PY         0.00000  -0.00081   0.00000   0.00000   0.00000
   9        5PZ         0.00000   0.00000   0.00000   0.00000   1.17556
  10        6D 0        0.00000   0.00000   0.00000   0.00000  -1.01333
  11        6D+1        0.98612   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.98612   0.00000   0.00000   0.00000
  13        6D+2        0.00000   0.00000   1.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   1.00000   0.00000
  15 2   H  1S          0.00000   0.00000   0.00000   0.00000  -0.51454
  16        2S          0.00000   0.00000   0.00000   0.00000   2.80762
  17        3PX        -0.03317   0.00000   0.00000   0.00000   0.00000
  18        3PY         0.00000  -0.03317   0.00000   0.00000   0.00000
  19        3PZ         0.00000   0.00000   0.00000   0.00000   0.09149
                          16        17        18        19
                           V         V         V         V
     Eigenvalues --     1.17795   1.81252   1.81252   2.27779
   1 1   Be 1S          0.05283   0.00000   0.00000  -0.05978
   2        2S         -0.32692   0.00000   0.00000  -1.11976
   3        3S          0.22966   0.00000   0.00000  -0.48287
   4        4PX         0.00000  -0.23622   0.00000   0.00000
   5        4PY         0.00000   0.00000  -0.23622   0.00000
   6        4PZ         0.64541   0.00000   0.00000   1.27279
   7        5PX         0.00000  -0.02665   0.00000   0.00000
   8        5PY         0.00000   0.00000  -0.02665   0.00000
   9        5PZ        -0.17474   0.00000   0.00000   0.33342
  10        6D 0       -0.92689   0.00000   0.00000  -0.80553
  11        6D+1        0.00000   0.48451   0.00000   0.00000
  12        6D-1        0.00000   0.00000   0.48451   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000
  15 2   H  1S          1.57044   0.00000   0.00000   0.76036
  16        2S         -0.75707   0.00000   0.00000   1.45066
  17        3PX         0.00000   1.12259   0.00000   0.00000
  18        3PY         0.00000   0.00000   1.12259   0.00000
  19        3PZ        -0.14315   0.00000   0.00000   1.38554
     Alpha Density Matrix:
                           1         2         3         4         5
   1 1   Be 1S          1.02899
   2        2S         -0.06971   0.21539
   3        3S         -0.08046   0.20902   0.22559
   4        4PX         0.00000   0.00000   0.00000   0.00000
   5        4PY         0.00000   0.00000   0.00000   0.00000   0.00000
   6        4PZ        -0.02271   0.09486   0.16017   0.00000   0.00000
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        5PY         0.00000   0.00000   0.00000   0.00000   0.00000
   9        5PZ        -0.02767   0.08411   0.11012   0.00000   0.00000
  10        6D 0       -0.00706   0.01741   0.01420   0.00000   0.00000
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   H  1S         -0.03351   0.06425   0.00325   0.00000   0.00000
  16        2S         -0.01908   0.03467  -0.00020   0.00000   0.00000
  17        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  18        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  19        3PZ        -0.00105   0.00470   0.00146   0.00000   0.00000
                           6         7         8         9        10
   6        4PZ         0.24782
   7        5PX         0.00000   0.00000
   8        5PY         0.00000   0.00000   0.00000
   9        5PZ         0.12308   0.00000   0.00000   0.06879
  10        6D 0       -0.00052   0.00000   0.00000   0.00338   0.00173
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   H  1S         -0.15078   0.00000   0.00000  -0.04967   0.01232
  16        2S         -0.08730   0.00000   0.00000  -0.02928   0.00688
  17        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  18        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  19        3PZ        -0.00729   0.00000   0.00000  -0.00207   0.00075
                          11        12        13        14        15
  11        6D+1        0.00000
  12        6D-1        0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000
  15 2   H  1S          0.00000   0.00000   0.00000   0.00000   0.17484
  16        2S          0.00000   0.00000   0.00000   0.00000   0.09951
  17        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  18        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  19        3PZ         0.00000   0.00000   0.00000   0.00000   0.00953
                          16        17        18        19
  16        2S          0.05665
  17        3PX         0.00000   0.00000
  18        3PY         0.00000   0.00000   0.00000
  19        3PZ         0.00541   0.00000   0.00000   0.00053
     Beta Density Matrix:
                           1         2         3         4         5
   1 1   Be 1S          1.01294
   2        2S         -0.02245   0.07622
   3        3S         -0.02326   0.04059   0.02174
   4        4PX         0.00000   0.00000   0.00000   0.00000
   5        4PY         0.00000   0.00000   0.00000   0.00000   0.00000
   6        4PZ         0.03230  -0.06712  -0.03588   0.00000   0.00000
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        5PY         0.00000   0.00000   0.00000   0.00000   0.00000
   9        5PZ         0.00507  -0.01231  -0.00657   0.00000   0.00000
  10        6D 0       -0.00460   0.01016   0.00543   0.00000   0.00000
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   H  1S         -0.04913   0.11022   0.05888   0.00000   0.00000
  16        2S         -0.02849   0.06237   0.03333   0.00000   0.00000
  17        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  18        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  19        3PZ        -0.00158   0.00624   0.00332   0.00000   0.00000
                           6         7         8         9        10
   6        4PZ         0.05927
   7        5PX         0.00000   0.00000
   8        5PY         0.00000   0.00000   0.00000
   9        5PZ         0.01086   0.00000   0.00000   0.00199
  10        6D 0       -0.00896   0.00000   0.00000  -0.00164   0.00136
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   H  1S         -0.09727   0.00000   0.00000  -0.01782   0.01471
  16        2S         -0.05505   0.00000   0.00000  -0.01009   0.00833
  17        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  18        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  19        3PZ        -0.00549   0.00000   0.00000  -0.00101   0.00083
                          11        12        13        14        15
  11        6D+1        0.00000
  12        6D-1        0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000
  15 2   H  1S          0.00000   0.00000   0.00000   0.00000   0.15966
  16        2S          0.00000   0.00000   0.00000   0.00000   0.09036
  17        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  18        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  19        3PZ         0.00000   0.00000   0.00000   0.00000   0.00902
                          16        17        18        19
  16        2S          0.05114
  17        3PX         0.00000   0.00000
  18        3PY         0.00000   0.00000   0.00000
  19        3PZ         0.00511   0.00000   0.00000   0.00051
    Full Mulliken population analysis:
                           1         2         3         4         5
   1 1   Be 1S          2.04193
   2        2S         -0.01535   0.29161
   3        3S         -0.01723   0.20408   0.24733
   4        4PX         0.00000   0.00000   0.00000   0.00000
   5        4PY         0.00000   0.00000   0.00000   0.00000   0.00000
   6        4PZ         0.00000   0.00000   0.00000   0.00000   0.00000
   7        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        5PY         0.00000   0.00000   0.00000   0.00000   0.00000
   9        5PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  10        6D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   H  1S         -0.00386   0.06218   0.02067   0.00000   0.00000
  16        2S         -0.00621   0.06019   0.02327   0.00000   0.00000
  17        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  18        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  19        3PZ        -0.00019   0.00260   0.00042   0.00000   0.00000
                           6         7         8         9        10
   6        4PZ         0.30708
   7        5PX         0.00000   0.00000
   8        5PY         0.00000   0.00000   0.00000
   9        5PZ         0.07915   0.00000   0.00000   0.07078
  10        6D 0        0.00000   0.00000   0.00000   0.00000   0.00309
  11        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  15 2   H  1S          0.12322   0.00000   0.00000   0.02504   0.01365
  16        2S          0.06580   0.00000   0.00000   0.02310   0.00339
  17        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  18        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  19        3PZ         0.00351   0.00000   0.00000  -0.00013   0.00012
                          11        12        13        14        15
  11        6D+1        0.00000
  12        6D-1        0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000
  15 2   H  1S          0.00000   0.00000   0.00000   0.00000   0.33450
  16        2S          0.00000   0.00000   0.00000   0.00000   0.13004
  17        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  18        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  19        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
                          16        17        18        19
  16        2S          0.10780
  17        3PX         0.00000   0.00000
  18        3PY         0.00000   0.00000   0.00000
  19        3PZ         0.00000   0.00000   0.00000   0.00104
     Gross orbital populations:
                         Total     Alpha     Beta      Spin
   1 1   Be 1S          1.99908   0.99988   0.99921   0.00067
   2        2S          0.60530   0.42019   0.18511   0.23507
   3        3S          0.47853   0.38418   0.09434   0.28984
   4        4PX         0.00000   0.00000   0.00000   0.00000
   5        4PY         0.00000   0.00000   0.00000   0.00000
   6        4PZ         0.57875   0.43780   0.14096   0.29684
   7        5PX         0.00000   0.00000   0.00000   0.00000
   8        5PY         0.00000   0.00000   0.00000   0.00000
   9        5PZ         0.19794   0.17705   0.02089   0.15615
  10        6D 0        0.02024   0.00954   0.01070  -0.00116
  11        6D+1        0.00000   0.00000   0.00000   0.00000
  12        6D-1        0.00000   0.00000   0.00000   0.00000
  13        6D+2        0.00000   0.00000   0.00000   0.00000
  14        6D-2        0.00000   0.00000   0.00000   0.00000
  15 2   H  1S          0.70542   0.36495   0.34047   0.02448
  16        2S          0.40736   0.20275   0.20462  -0.00187
  17        3PX         0.00000   0.00000   0.00000   0.00000
  18        3PY         0.00000   0.00000   0.00000   0.00000
  19        3PZ         0.00737   0.00367   0.00370  -0.00003
          Condensed to atoms (all electrons):
               1          2
     1  Be   3.463109   0.416740
     2  H    0.416740   0.703411
          Atomic-Atomic Spin Densities.
               1          2
     1  Be   0.988089  -0.010668
     2  H   -0.010668   0.033246
 Mulliken charges and spin densities:
               1          2
     1  Be   0.120151   0.977421
     2  H   -0.120151   0.022579
 Sum of Mulliken charges =   0.00000   1.00000
 Mulliken charges and spin densities with hydrogens summed into heavy atoms:
               1          2
     1  Be   0.000000   1.000000
 Electronic spatial extent (au):  <R**2>=             23.3234
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=              0.2347  Tot=              0.2347
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.6385   YY=             -6.6385   ZZ=            -11.1548
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.5054   YY=              1.5054   ZZ=             -3.0109
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=             -6.1390  XYY=              0.0000
  XXY=              0.0000  XXZ=             -1.1296  XZZ=              0.0000  YZZ=              0.0000
  YYZ=             -1.1296  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -12.6579 YYYY=            -12.6579 ZZZZ=            -42.1336 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -4.2193 XXZZ=             -9.0457 YYZZ=             -9.0457
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 1.575157976226D+00 E-N=-3.791940321685D+01  KE= 1.514339738119D+01
 Symmetry A1   KE= 1.514339738119D+01
 Symmetry A2   KE=-4.093125882290D-52
 Symmetry B1   KE= 0.000000000000D+00
 Symmetry B2   KE= 0.000000000000D+00
 Orbital energies and kinetic energies (alpha):
                                 1                 2
   1         O                -4.718115          6.779389
   2         O                -0.482347          0.554985
   3         O                -0.309713          0.474650
   4         V                 0.049696          0.216941
   5         V                 0.049696          0.216941
   6         V                 0.171665          0.253510
   7         V                 0.280290          0.625791
   8         V                 0.344081          0.837297
   9         V                 0.344081          0.837297
  10         V                 0.372100          0.781803
  11         V                 0.611028          0.834307
  12         V                 0.611028          0.834307
  13         V                 0.637419          0.833000
  14         V                 0.637419          0.833000
  15         V                 0.678798          0.986140
  16         V                 1.177950          1.915966
  17         V                 1.812520          2.108707
  18         V                 1.812520          2.108707
  19         V                 2.277787          2.794780
 Total kinetic energy from orbitals= 1.561804699664D+01
                          Isotropic Fermi Contact Couplings
        Atom                 a.u.       MegaHertz       Gauss      10(-4) cm-1
     1  Be(9)              0.26338    -165.50896     -59.05771     -55.20785
     2  H(1)               0.01378      61.59549      21.97880      20.54604
 --------------------------------------------------------
       Center         ----  Spin Dipole Couplings  ----
                      3XX-RR        3YY-RR        3ZZ-RR
 --------------------------------------------------------
     1   Atom       -0.056993     -0.056993      0.113986
     2   Atom       -0.011221     -0.011221      0.022443
 --------------------------------------------------------
                        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    -0.0570     4.275     1.525     1.426  1.0000  0.0000  0.0000
     1 Be(9)  Bbb    -0.0570     4.275     1.525     1.426  0.0000  1.0000  0.0000
              Bcc     0.1140    -8.550    -3.051    -2.852  0.0000  0.0000  1.0000
 
              Baa    -0.0112    -5.987    -2.136    -1.997  1.0000  0.0000  0.0000
     2 H(1)   Bbb    -0.0112    -5.987    -2.136    -1.997  0.0000  1.0000  0.0000
              Bcc     0.0224    11.974     4.273     3.994  0.0000  0.0000  1.0000
 

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

 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Mar 25 23:38:02 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\Be1H1(2)\LOOS\25-Mar-201
 9\0\\#p ROCCSD(T) cc-pVDZ pop=full gfprint\\G2\\0,2\Be\H,1,1.34380733\
 \Version=ES64L-G09RevD.01\State=2-SG\HF=-15.1494411\MP2=-15.1771136\MP
 3=-15.1845237\PUHF=-15.1494411\PMP2-0=-15.1771136\MP4SDQ=-15.1866015\C
 CSD=-15.1878295\CCSD(T)=-15.1882378\RMSD=1.266e-10\PG=C*V [C*(H1Be1)]\
 \@


 IT IS THE GODS' CUSTOM TO BRING LOW ALL THINGS OF SURPASSING GREATNESS.
     -- HERODOTUS
 IT IS THE LOFTY PINE THAT BY THE STORM IS OFTENER TOSSED;
 TOWERS FALL WITH HEAVIER CRASH WHICH HIGHER SOAR.
     -- HORACE
 THE BIGGER THEY COME, THE HARDER THEY FALL.
     -- BOB FITZSIMONS HEAVYWEIGHT CHAMPION, 1897-1899
 Job cpu time:       0 days  0 hours  0 minutes  3.6 seconds.
 File lengths (MBytes):  RWF=     49 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 09 at Mon Mar 25 23:38:03 2019.