Entering Gaussian System, Link 0=g09
 Initial command:
 /usr/local/g09/l1.exe "/home/scemama/quantum_package/test/input/Gau-21007.inp" -scrdir="/home/scemama/quantum_package/test/input/"
 Entering Link 1 = /usr/local/g09/l1.exe PID=     21009.
  
 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.
  
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 Rights clause in FAR 52.227-19.
  
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 Warning -- This program may not be used in any manner that
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 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
                 4-Jan-2016 
 ******************************************
 --------------------------
 # cc-pvdz gfprint pop=full
 --------------------------
 1/38=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=16,11=9,16=1,24=100,25=1,30=1/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=3,28=1/1;
 99/5=1,9=1/99;
 -----
 Water
 -----
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 H                     0.751     0.194     0. 
 O                     0.       -0.388     0. 
 H                    -0.751     0.194     0. 
 
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.751000    0.194000    0.000000
      2          8           0        0.000000   -0.388000    0.000000
      3          1           0       -0.751000    0.194000    0.000000
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3
     1  H    0.000000
     2  O    0.950118   0.000000
     3  H    1.502000   0.950118   0.000000
 Stoichiometry    H2O
 Framework group  C2V[C2(O),SGV(H2)]
 Deg. of freedom     2
 Full point group                 C2V     NOp   4
 Largest Abelian subgroup         C2V     NOp   4
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.000000    0.751000   -0.465600
      2          8           0        0.000000    0.000000    0.116400
      3          1           0        0.000000   -0.751000   -0.465600
 ---------------------------------------------------------------------
 Rotational constants (GHZ):    833.4921067    444.5516057    289.9198601
 Standard basis: CC-pVDZ (5D, 7F)
 AO basis set (Overlap normalization):
 Atom H1       Shell     1 S   3     bf    1 -     1          0.000000000000          1.419184325797         -0.879856487472
      0.1301000000D+02  0.3349872639D-01
      0.1962000000D+01  0.2348008012D+00
      0.4446000000D+00  0.8136829579D+00
 Atom H1       Shell     2 S   1     bf    2 -     2          0.000000000000          1.419184325797         -0.879856487472
      0.1220000000D+00  0.1000000000D+01
 Atom H1       Shell     3 P   1     bf    3 -     5          0.000000000000          1.419184325797         -0.879856487472
      0.7270000000D+00  0.1000000000D+01
 Atom O2       Shell     4 S   7     bf    6 -     6          0.000000000000          0.000000000000          0.219964121868
      0.1172000000D+05  0.7118644339D-03
      0.1759000000D+04  0.5485201992D-02
      0.4008000000D+03  0.2790992963D-01
      0.1137000000D+03  0.1051332075D+00
      0.3703000000D+02  0.2840024898D+00
      0.1327000000D+02  0.4516739459D+00
      0.5025000000D+01  0.2732081255D+00
 Atom O2       Shell     5 S   7     bf    7 -     7          0.000000000000          0.000000000000          0.219964121868
      0.1172000000D+05  0.7690300460D-05
      0.4008000000D+03  0.3134845790D-03
      0.1137000000D+03 -0.2966148530D-02
      0.3703000000D+02 -0.1087535430D-01
      0.1327000000D+02 -0.1207538168D+00
      0.5025000000D+01 -0.1062752639D+00
      0.1013000000D+01  0.1095975478D+01
 Atom O2       Shell     6 S   1     bf    8 -     8          0.000000000000          0.000000000000          0.219964121868
      0.3023000000D+00  0.1000000000D+01
 Atom O2       Shell     7 P   3     bf    9 -    11          0.000000000000          0.000000000000          0.219964121868
      0.1770000000D+02  0.6267916628D-01
      0.3854000000D+01  0.3335365659D+00
      0.1046000000D+01  0.7412396416D+00
 Atom O2       Shell     8 P   1     bf   12 -    14          0.000000000000          0.000000000000          0.219964121868
      0.2753000000D+00  0.1000000000D+01
 Atom O2       Shell     9 D   1     bf   15 -    19          0.000000000000          0.000000000000          0.219964121868
      0.1185000000D+01  0.1000000000D+01
 Atom H3       Shell    10 S   3     bf   20 -    20          0.000000000000         -1.419184325797         -0.879856487472
      0.1301000000D+02  0.3349872639D-01
      0.1962000000D+01  0.2348008012D+00
      0.4446000000D+00  0.8136829579D+00
 Atom H3       Shell    11 S   1     bf   21 -    21          0.000000000000         -1.419184325797         -0.879856487472
      0.1220000000D+00  0.1000000000D+01
 Atom H3       Shell    12 P   1     bf   22 -    24          0.000000000000         -1.419184325797         -0.879856487472
      0.7270000000D+00  0.1000000000D+01
 There are    12 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     2 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     4 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     7 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    11 symmetry adapted basis functions of A1  symmetry.
 There are     2 symmetry adapted basis functions of A2  symmetry.
 There are     4 symmetry adapted basis functions of B1  symmetry.
 There are     7 symmetry adapted basis functions of B2  symmetry.
    24 basis functions,    47 primitive gaussians,    25 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy         9.2636625387 Hartrees.
 NAtoms=    3 NActive=    3 NUniq=    2 SFac= 2.25D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 1 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=    24 RedAO= T EigKep=  5.29D-02  NBF=    11     2     4     7
 NBsUse=    24 1.00D-06 EigRej= -1.00D+00 NBFU=    11     2     4     7
 ExpMin= 1.22D-01 ExpMax= 1.17D+04 ExpMxC= 4.01D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 Harris functional with IExCor=  205 and IRadAn=       1 diagonalized for initial guess.
 HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Initial guess orbital symmetries:
       Occupied  (A1) (A1) (B2) (A1) (B1)
       Virtual   (A1) (B2) (B2) (A1) (B1) (A1) (B2) (A1) (A2) (B1)
                 (A1) (B2) (B2) (A1) (B1) (A2) (A1) (A1) (B2)
 The electronic state of the initial guess is 1-A1.
 Keep R1 ints in memory in symmetry-blocked form, NReq=899045.
 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.
 SCF Done:  E(RHF) =  -76.0270218692     A.U. after   10 cycles
            NFock= 10  Conv=0.37D-08     -V/T= 2.0001

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (A1) (A1) (B2) (A1) (B1)
       Virtual   (A1) (B2) (B2) (A1) (A1) (B1) (B2) (A1) (A2) (B1)
                 (A1) (B2) (B2) (A1) (B1) (A2) (A1) (A1) (B2)
 The electronic state is 1-A1.
 Alpha  occ. eigenvalues --  -20.54920  -1.34040  -0.70302  -0.56802  -0.49369
 Alpha virt. eigenvalues --    0.18675   0.25729   0.79428   0.86143   1.16305
 Alpha virt. eigenvalues --    1.20039   1.25297   1.44294   1.47836   1.67576
 Alpha virt. eigenvalues --    1.86568   1.94324   2.46971   2.50865   3.29235
 Alpha virt. eigenvalues --    3.34575   3.52032   3.87326   4.15604
     Molecular Orbital Coefficients:
                           1         2         3         4         5
                        (A1)--O   (A1)--O   (B2)--O   (A1)--O   (B1)--O
     Eigenvalues --   -20.54920  -1.34040  -0.70302  -0.56802  -0.49369
   1 1   H  1S         -0.00028   0.19664   0.32943  -0.20637   0.00000
   2        2S          0.00042   0.00987   0.08843  -0.03877   0.00000
   3        3PX         0.00000   0.00000   0.00000   0.00000   0.03138
   4        3PY         0.00059  -0.03777  -0.02324   0.03180   0.00000
   5        3PZ        -0.00050   0.02069   0.03278   0.00778   0.00000
   6 2   O  1S          0.99709  -0.20851   0.00000  -0.07051   0.00000
   7        2S          0.01533   0.44166   0.00000   0.15096   0.00000
   8        3S         -0.00262   0.37055   0.00000   0.35244   0.00000
   9        4PX         0.00000   0.00000   0.00000   0.00000   0.63093
  10        4PY         0.00000   0.00000   0.49100   0.00000   0.00000
  11        4PZ        -0.00179  -0.08026   0.00000   0.54612   0.00000
  12        5PX         0.00000   0.00000   0.00000   0.00000   0.49530
  13        5PY         0.00000   0.00000   0.21981   0.00000   0.00000
  14        5PZ         0.00046   0.01423   0.00000   0.36440   0.00000
  15        6D 0        0.00001   0.00126   0.00000  -0.01798   0.00000
  16        6D+1        0.00000   0.00000   0.00000   0.00000  -0.01831
  17        6D-1        0.00000   0.00000  -0.02712   0.00000   0.00000
  18        6D+2       -0.00015  -0.00309   0.00000   0.00460   0.00000
  19        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  20 3   H  1S         -0.00028   0.19664  -0.32943  -0.20637   0.00000
  21        2S          0.00042   0.00987  -0.08843  -0.03877   0.00000
  22        3PX         0.00000   0.00000   0.00000   0.00000   0.03138
  23        3PY        -0.00059   0.03777  -0.02324  -0.03180   0.00000
  24        3PZ        -0.00050   0.02069  -0.03278   0.00778   0.00000
                           6         7         8         9        10
                        (A1)--V   (B2)--V   (B2)--V   (A1)--V   (A1)--V
     Eigenvalues --     0.18675   0.25729   0.79428   0.86143   1.16305
   1 1   H  1S         -0.05736   0.02438   0.94544   0.77982   0.56148
   2        2S         -0.83228   1.45858  -0.67483  -0.54297   0.11259
   3        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
   4        3PY         0.01819  -0.02133   0.07599   0.30237  -0.08600
   5        3PZ        -0.01667   0.01785  -0.15491  -0.06066   0.24578
   6 2   O  1S         -0.08470   0.00000   0.00000   0.05179   0.04908
   7        2S          0.07170   0.00000   0.00000  -0.25498  -0.11616
   8        3S          1.00958   0.00000   0.00000   0.32136  -0.76806
   9        4PX         0.00000   0.00000   0.00000   0.00000   0.00000
  10        4PY         0.00000  -0.28107  -0.26539   0.00000   0.00000
  11        4PZ        -0.18794   0.00000   0.00000   0.33069  -0.75153
  12        5PX         0.00000   0.00000   0.00000   0.00000   0.00000
  13        5PY         0.00000  -0.67110  -0.47510   0.00000   0.00000
  14        5PZ        -0.33396   0.00000   0.00000  -0.01731   1.29116
  15        6D 0        0.00754   0.00000   0.00000   0.00137  -0.01192
  16        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  17        6D-1        0.00000   0.02180  -0.11235   0.00000   0.00000
  18        6D+2       -0.01036   0.00000   0.00000  -0.10806  -0.00658
  19        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  20 3   H  1S         -0.05736  -0.02438  -0.94544   0.77982   0.56148
  21        2S         -0.83228  -1.45858   0.67483  -0.54297   0.11259
  22        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  23        3PY        -0.01819  -0.02133   0.07599  -0.30237   0.08600
  24        3PZ        -0.01667  -0.01785   0.15491  -0.06066   0.24578
                          11        12        13        14        15
                        (B1)--V   (B2)--V   (A1)--V   (A2)--V   (B1)--V
     Eigenvalues --     1.20039   1.25297   1.44294   1.47836   1.67576
   1 1   H  1S          0.00000  -0.38329   0.33223   0.00000   0.00000
   2        2S          0.00000  -0.83750  -0.21212   0.00000   0.00000
   3        3PX         0.00072   0.00000   0.00000   0.68636   0.76853
   4        3PY         0.00000   0.30080  -0.32477   0.00000   0.00000
   5        3PZ         0.00000  -0.19091  -0.55042   0.00000   0.00000
   6 2   O  1S          0.00000   0.00000   0.03828   0.00000   0.00000
   7        2S          0.00000   0.00000  -0.52866   0.00000   0.00000
   8        3S          0.00000   0.00000   0.51190   0.00000   0.00000
   9        4PX        -0.96763   0.00000   0.00000   0.00000  -0.03438
  10        4PY         0.00000  -0.73129   0.00000   0.00000   0.00000
  11        4PZ         0.00000   0.00000  -0.12361   0.00000   0.00000
  12        5PX         1.03124   0.00000   0.00000   0.00000  -0.62892
  13        5PY         0.00000   1.77186   0.00000   0.00000   0.00000
  14        5PZ         0.00000   0.00000   0.73469   0.00000   0.00000
  15        6D 0        0.00000   0.00000   0.11514   0.00000   0.00000
  16        6D+1        0.00401   0.00000   0.00000   0.00000  -0.16015
  17        6D-1        0.00000  -0.04687   0.00000   0.00000   0.00000
  18        6D+2        0.00000   0.00000   0.00231   0.00000   0.00000
  19        6D-2        0.00000   0.00000   0.00000   0.13020   0.00000
  20 3   H  1S          0.00000   0.38329   0.33223   0.00000   0.00000
  21        2S          0.00000   0.83750  -0.21212   0.00000   0.00000
  22        3PX         0.00072   0.00000   0.00000  -0.68636   0.76853
  23        3PY         0.00000   0.30080   0.32477   0.00000   0.00000
  24        3PZ         0.00000   0.19091  -0.55042   0.00000   0.00000
                          16        17        18        19        20
                        (A1)--V   (B2)--V   (B2)--V   (A1)--V   (B1)--V
     Eigenvalues --     1.86568   1.94324   2.46971   2.50865   3.29235
   1 1   H  1S         -0.84001  -0.38827  -0.30714  -0.48425   0.00000
   2        2S         -0.39058  -0.09139  -0.32899  -0.15539   0.00000
   3        3PX         0.00000   0.00000   0.00000   0.00000   0.40419
   4        3PY         0.37339  -0.47886   0.72852   0.74408   0.00000
   5        3PZ         0.02270  -0.69333  -0.55830  -0.53873   0.00000
   6 2   O  1S         -0.00133   0.00000   0.00000  -0.05007   0.00000
   7        2S         -1.59472   0.00000   0.00000   0.76301   0.00000
   8        3S          3.05475   0.00000   0.00000   0.77692   0.00000
   9        4PX         0.00000   0.00000   0.00000   0.00000   0.00794
  10        4PY         0.00000  -0.00344   0.84802   0.00000   0.00000
  11        4PZ        -0.12317   0.00000   0.00000  -0.67503   0.00000
  12        5PX         0.00000   0.00000   0.00000   0.00000  -0.31702
  13        5PY         0.00000   0.90137   0.15151   0.00000   0.00000
  14        5PZ        -0.96855   0.00000   0.00000  -0.17344   0.00000
  15        6D 0       -0.11340   0.00000   0.00000  -0.05378   0.00000
  16        6D+1        0.00000   0.00000   0.00000   0.00000   1.04510
  17        6D-1        0.00000   0.03018   0.14264   0.00000   0.00000
  18        6D+2        0.10791   0.00000   0.00000   0.22259   0.00000
  19        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  20 3   H  1S         -0.84001   0.38827   0.30714  -0.48425   0.00000
  21        2S         -0.39058   0.09139   0.32899  -0.15539   0.00000
  22        3PX         0.00000   0.00000   0.00000   0.00000   0.40419
  23        3PY        -0.37339  -0.47886   0.72852  -0.74408   0.00000
  24        3PZ         0.02270   0.69333   0.55830  -0.53873   0.00000
                          21        22        23        24
                        (A2)--V   (A1)--V   (A1)--V   (B2)--V
     Eigenvalues --     3.34575   3.52032   3.87326   4.15604
   1 1   H  1S          0.00000  -0.31669  -1.26352   1.11159
   2        2S          0.00000  -0.03908  -0.19214   0.29097
   3        3PX        -0.37623   0.00000   0.00000   0.00000
   4        3PY         0.00000   0.35703   0.62282  -0.61226
   5        3PZ         0.00000   0.31793  -0.49973   0.49729
   6 2   O  1S          0.00000  -0.01447  -0.06182   0.00000
   7        2S          0.00000  -0.15549  -0.15289   0.00000
   8        3S          0.00000   0.57546   2.29321   0.00000
   9        4PX         0.00000   0.00000   0.00000   0.00000
  10        4PY         0.00000   0.00000   0.00000  -0.48554
  11        4PZ         0.00000  -0.02517  -0.41868   0.00000
  12        5PX         0.00000   0.00000   0.00000   0.00000
  13        5PY         0.00000   0.00000   0.00000  -1.15446
  14        5PZ         0.00000  -0.54861  -0.92743   0.00000
  15        6D 0        0.00000   1.08916   0.13090   0.00000
  16        6D+1        0.00000   0.00000   0.00000   0.00000
  17        6D-1        0.00000   0.00000   0.00000   1.32912
  18        6D+2        0.00000   0.17380  -1.16185   0.00000
  19        6D-2        1.06901   0.00000   0.00000   0.00000
  20 3   H  1S          0.00000  -0.31669  -1.26352  -1.11159
  21        2S          0.00000  -0.03908  -0.19214  -0.29097
  22        3PX         0.37623   0.00000   0.00000   0.00000
  23        3PY         0.00000  -0.35703  -0.62282  -0.61226
  24        3PZ         0.00000   0.31793  -0.49973  -0.49729
     Density Matrix:
                           1         2         3         4         5
   1 1   H  1S          0.37956
   2        2S          0.07815   0.01884
   3        3PX         0.00000   0.00000   0.00197
   4        3PY        -0.04329  -0.00732   0.00000   0.00596
   5        3PZ         0.02653   0.00560   0.00000  -0.00259   0.00313
   6 2   O  1S         -0.05346   0.00219   0.00000   0.01245  -0.01072
   7        2S          0.11138  -0.00297   0.00000  -0.02375   0.02061
   8        3S          0.00027  -0.02001   0.00000  -0.00558   0.02082
   9        4PX         0.00000   0.00000   0.03959   0.00000   0.00000
  10        4PY         0.32350   0.08684   0.00000  -0.02282   0.03219
  11        4PZ        -0.25697  -0.04393   0.00000   0.04080   0.00517
  12        5PX         0.00000   0.00000   0.03108   0.00000   0.00000
  13        5PY         0.14483   0.03888   0.00000  -0.01022   0.01441
  14        5PZ        -0.14480  -0.02797   0.00000   0.02210   0.00626
  15        6D 0        0.00792   0.00142   0.00000  -0.00124  -0.00023
  16        6D+1        0.00000   0.00000  -0.00115   0.00000   0.00000
  17        6D-1       -0.01787  -0.00480   0.00000   0.00126  -0.00178
  18        6D+2       -0.00311  -0.00042   0.00000   0.00053  -0.00006
  19        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  20 3   H  1S         -0.05454  -0.03838   0.00000  -0.01267  -0.01667
  21        2S         -0.03838  -0.01244   0.00000   0.00090  -0.00599
  22        3PX         0.00000   0.00000   0.00197   0.00000   0.00000
  23        3PY         0.01267  -0.00090   0.00000  -0.00380  -0.00045
  24        3PZ        -0.01667  -0.00599   0.00000   0.00045  -0.00117
                           6         7         8         9        10
   6 2   O  1S          2.08528
   7        2S         -0.17489   0.43618
   8        3S         -0.20945   0.43364   0.52305
   9        4PX         0.00000   0.00000   0.00000   0.79614
  10        4PY         0.00000   0.00000   0.00000   0.00000   0.48215
  11        4PZ        -0.04710   0.09393   0.32547   0.00000   0.00000
  12        5PX         0.00000   0.00000   0.00000   0.62500   0.00000
  13        5PY         0.00000   0.00000   0.00000   0.00000   0.21586
  14        5PZ        -0.05640   0.12261   0.26740   0.00000   0.00000
  15        6D 0        0.00204  -0.00431  -0.01174   0.00000   0.00000
  16        6D+1        0.00000   0.00000   0.00000  -0.02311   0.00000
  17        6D-1        0.00000   0.00000   0.00000   0.00000  -0.02663
  18        6D+2        0.00033  -0.00134   0.00096   0.00000   0.00000
  19        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  20 3   H  1S         -0.05346   0.11138   0.00027   0.00000  -0.32350
  21        2S          0.00219  -0.00297  -0.02001   0.00000  -0.08684
  22        3PX         0.00000   0.00000   0.00000   0.03959   0.00000
  23        3PY        -0.01245   0.02375   0.00558   0.00000  -0.02282
  24        3PZ        -0.01072   0.02061   0.02082   0.00000  -0.03219
                          11        12        13        14        15
  11        4PZ         0.60938
  12        5PX         0.00000   0.49064
  13        5PY         0.00000   0.00000   0.09664
  14        5PZ         0.39573   0.00000   0.00000   0.26598
  15        6D 0       -0.01984   0.00000   0.00000  -0.01306   0.00065
  16        6D+1        0.00000  -0.01814   0.00000   0.00000   0.00000
  17        6D-1        0.00000   0.00000  -0.01192   0.00000   0.00000
  18        6D+2        0.00552   0.00000   0.00000   0.00327  -0.00017
  19        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  20 3   H  1S         -0.25697   0.00000  -0.14483  -0.14480   0.00792
  21        2S         -0.04393   0.00000  -0.03888  -0.02797   0.00142
  22        3PX         0.00000   0.03108   0.00000   0.00000   0.00000
  23        3PY        -0.04080   0.00000  -0.01022  -0.02210   0.00124
  24        3PZ         0.00517   0.00000  -0.01441   0.00626  -0.00023
                          16        17        18        19        20
  16        6D+1        0.00067
  17        6D-1        0.00000   0.00147
  18        6D+2        0.00000   0.00000   0.00006
  19        6D-2        0.00000   0.00000   0.00000   0.00000
  20 3   H  1S          0.00000   0.01787  -0.00311   0.00000   0.37956
  21        2S          0.00000   0.00480  -0.00042   0.00000   0.07815
  22        3PX        -0.00115   0.00000   0.00000   0.00000   0.00000
  23        3PY         0.00000   0.00126  -0.00053   0.00000   0.04329
  24        3PZ         0.00000   0.00178  -0.00006   0.00000   0.02653
                          21        22        23        24
  21        2S          0.01884
  22        3PX         0.00000   0.00197
  23        3PY         0.00732   0.00000   0.00596
  24        3PZ         0.00560   0.00000   0.00259   0.00313
    Full Mulliken population analysis:
                           1         2         3         4         5
   1 1   H  1S          0.37956
   2        2S          0.05352   0.01884
   3        3PX         0.00000   0.00000   0.00197
   4        3PY         0.00000   0.00000   0.00000   0.00596
   5        3PZ         0.00000   0.00000   0.00000   0.00000   0.00313
   6 2   O  1S         -0.00272   0.00014   0.00000  -0.00106  -0.00071
   7        2S          0.03388  -0.00106   0.00000   0.00859   0.00577
   8        3S          0.00013  -0.01302   0.00000   0.00173   0.00501
   9        4PX         0.00000   0.00000   0.00793   0.00000   0.00000
  10        4PY         0.07296   0.00727   0.00000   0.00370   0.00904
  11        4PZ         0.04491   0.00285   0.00000   0.01146  -0.00009
  12        5PX         0.00000   0.00000   0.01229   0.00000   0.00000
  13        5PY         0.07135   0.01200   0.00000  -0.00079   0.00355
  14        5PZ         0.05528   0.00669   0.00000   0.00545   0.00128
  15        6D 0        0.00012   0.00000   0.00000   0.00022   0.00005
  16        6D+1        0.00000   0.00000   0.00023   0.00000   0.00000
  17        6D-1        0.00348   0.00010   0.00000   0.00020   0.00004
  18        6D+2        0.00039   0.00001   0.00000  -0.00001   0.00001
  19        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  20 3   H  1S         -0.00681  -0.01195   0.00000   0.00209   0.00000
  21        2S         -0.01195  -0.00761   0.00000  -0.00016   0.00000
  22        3PX         0.00000   0.00000   0.00011   0.00000   0.00000
  23        3PY         0.00209  -0.00016   0.00000   0.00099   0.00000
  24        3PZ         0.00000   0.00000   0.00000   0.00000  -0.00006
                           6         7         8         9        10
   6 2   O  1S          2.08528
   7        2S         -0.03938   0.43618
   8        3S         -0.03850   0.34354   0.52305
   9        4PX         0.00000   0.00000   0.00000   0.79614
  10        4PY         0.00000   0.00000   0.00000   0.00000   0.48215
  11        4PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  12        5PX         0.00000   0.00000   0.00000   0.31329   0.00000
  13        5PY         0.00000   0.00000   0.00000   0.00000   0.10820
  14        5PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        6D 0        0.00000   0.00000   0.00000   0.00000   0.00000
  16        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  17        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  18        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  19        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  20 3   H  1S         -0.00272   0.03388   0.00013   0.00000   0.07296
  21        2S          0.00014  -0.00106  -0.01302   0.00000   0.00727
  22        3PX         0.00000   0.00000   0.00000   0.00793   0.00000
  23        3PY        -0.00106   0.00859   0.00173   0.00000   0.00370
  24        3PZ        -0.00071   0.00577   0.00501   0.00000   0.00904
                          11        12        13        14        15
  11        4PZ         0.60938
  12        5PX         0.00000   0.49064
  13        5PY         0.00000   0.00000   0.09664
  14        5PZ         0.19837   0.00000   0.00000   0.26598
  15        6D 0        0.00000   0.00000   0.00000   0.00000   0.00065
  16        6D+1        0.00000   0.00000   0.00000   0.00000   0.00000
  17        6D-1        0.00000   0.00000   0.00000   0.00000   0.00000
  18        6D+2        0.00000   0.00000   0.00000   0.00000   0.00000
  19        6D-2        0.00000   0.00000   0.00000   0.00000   0.00000
  20 3   H  1S          0.04491   0.00000   0.07135   0.05528   0.00012
  21        2S          0.00285   0.00000   0.01200   0.00669   0.00000
  22        3PX         0.00000   0.01229   0.00000   0.00000   0.00000
  23        3PY         0.01146   0.00000  -0.00079   0.00545   0.00022
  24        3PZ        -0.00009   0.00000   0.00355   0.00128   0.00005
                          16        17        18        19        20
  16        6D+1        0.00067
  17        6D-1        0.00000   0.00147
  18        6D+2        0.00000   0.00000   0.00006
  19        6D-2        0.00000   0.00000   0.00000   0.00000
  20 3   H  1S          0.00000   0.00348   0.00039   0.00000   0.37956
  21        2S          0.00000   0.00010   0.00001   0.00000   0.05352
  22        3PX         0.00023   0.00000   0.00000   0.00000   0.00000
  23        3PY         0.00000   0.00020  -0.00001   0.00000   0.00000
  24        3PZ         0.00000   0.00004   0.00001   0.00000   0.00000
                          21        22        23        24
  21        2S          0.01884
  22        3PX         0.00000   0.00197
  23        3PY         0.00000   0.00000   0.00596
  24        3PZ         0.00000   0.00000   0.00000   0.00313
     Gross orbital populations:
                           1
   1 1   H  1S          0.69619
   2        2S          0.06760
   3        3PX         0.02253
   4        3PY         0.03835
   5        3PZ         0.02702
   6 2   O  1S          1.99870
   7        2S          0.83469
   8        3S          0.81580
   9        4PX         1.12530
  10        4PY         0.77630
  11        4PZ         0.92601
  12        5PX         0.82852
  13        5PY         0.37705
  14        5PZ         0.60175
  15        6D 0        0.00141
  16        6D+1        0.00113
  17        6D-1        0.00912
  18        6D+2        0.00085
  19        6D-2        0.00000
  20 3   H  1S          0.69619
  21        2S          0.06760
  22        3PX         0.02253
  23        3PY         0.03835
  24        3PZ         0.02702
          Condensed to atoms (all electrons):
               1          2          3
     1  H    0.516491   0.368645  -0.033447
     2  O    0.368645   7.559331   0.368645
     3  H   -0.033447   0.368645   0.516491
 Mulliken charges:
               1
     1  H    0.148311
     2  O   -0.296621
     3  H    0.148311
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     2  O    0.000000
 Electronic spatial extent (au):  <R**2>=             18.6306
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=             -2.0504  Tot=              2.0504
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.0170   YY=             -4.1394   ZZ=             -5.8813
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.3377   YY=              1.5398   ZZ=             -0.2021
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=             -1.2054  XYY=              0.0000
  XXY=              0.0000  XXZ=             -0.3034  XZZ=              0.0000  YZZ=              0.0000
  YYZ=             -1.2707  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -4.8304 YYYY=             -5.4619 ZZZZ=             -5.7829 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -2.0030 XXZZ=             -1.8252 YYZZ=             -1.5165
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 9.263662538697D+00 E-N=-1.992894401430D+02  KE= 7.601675874489D+01
 Symmetry A1   KE= 6.796065821176D+01
 Symmetry A2   KE= 2.830900309443D-35
 Symmetry B1   KE= 4.555880950352D+00
 Symmetry B2   KE= 3.500219582782D+00
 Orbital energies and kinetic energies (alpha):
                                 1                 2
   1         (A1)--O         -20.549199         29.200169
   2         (A1)--O          -1.340404          2.611477
   3         (B2)--O          -0.703024          1.750110
   4         (A1)--O          -0.568024          2.168683
   5         (B1)--O          -0.493693          2.277940
   6         (A1)--V           0.186746          0.769854
   7         (B2)--V           0.257291          0.751015
   8         (B2)--V           0.794278          1.917220
   9         (A1)--V           0.861426          2.258716
  10         (A1)--V           1.163048          2.989486
  11         (B1)--V           1.200386          3.667758
  12         (B2)--V           1.252967          2.845942
  13         (A1)--V           1.442943          2.225860
  14         (A2)--V           1.478361          1.966785
  15         (B1)--V           1.675760          2.128393
  16         (A1)--V           1.865681          3.518334
  17         (B2)--V           1.943242          2.337567
  18         (B2)--V           2.469713          4.302650
  19         (A1)--V           2.508646          4.514523
  20         (B1)--V           3.292350          4.420288
  21         (A2)--V           3.345753          4.501105
  22         (A1)--V           3.520320          4.698046
  23         (A1)--V           3.873260          5.467765
  24         (B2)--V           4.156040          5.820990
 Total kinetic energy from orbitals= 7.601675874489D+01
 1\1\GINC-LPQLX139\SP\RHF\CC-pVDZ\H2O1\SCEMAMA\04-Jan-2016\0\\# cc-pvdz
  gfprint pop=full\\Water\\0,1\H,0,0.751,0.194,0.\O,0,0.,-0.388,0.\H,0,
 -0.751,0.194,0.\\Version=ES64L-G09RevD.01\State=1-A1\HF=-76.0270219\RM
 SD=3.738e-09\Dipole=0.,0.8066933,0.\Quadrupole=1.1448392,-0.1502634,-0
 .9945758,0.,0.,0.\PG=C02V [C2(O1),SGV(H2)]\\@


 A DANDELION FROM A LOVER MEANS MORE THAN AN ORCHID FROM A FRIEND.
 Job cpu time:       0 days  0 hours  0 minutes  0.5 seconds.
 File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 09 at Mon Jan  4 23:00:03 2016.