Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16
 Initial command:
 /share/apps/gaussian/g16/l1.exe "/scratch/webmo-1704971/33159/Gau-1449546.inp" -scrdir="/scratch/webmo-1704971/33159/"
 Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID=   1449547.
  
 Copyright (c) 1988-2019, Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 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
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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
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
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 Cite this work as:
 Gaussian 16, Revision C.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2019.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevC.01  3-Jul-2019
                14-Mar-2023 
 ******************************************
 -------------------------------------------------
 #N B3LYP/6-311+G(2d,p) OPT FREQ Geom=Connectivity
 -------------------------------------------------
 1/18=20,19=15,26=3,38=1,57=2/1,3;
 2/9=110,12=2,17=6,18=5,40=1/2;
 3/5=4,6=6,7=112,11=2,25=1,30=1,71=1,74=-5/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7//1,2,3,16;
 1/18=20,19=15,26=3/3(2);
 2/9=110/2;
 99//99;
 2/9=110/2;
 3/5=4,6=6,7=112,11=2,25=1,30=1,71=1,74=-5/1,2,3;
 4/5=5,16=3,69=1/1;
 5/5=2,38=5/2;
 7//1,2,3,16;
 1/18=20,19=15,26=3/3(-5);
 2/9=110/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1/99;
 --------------------
 OCl(-1) hypochlorite
 --------------------
 Symbolic Z-matrix:
 Charge = -1 Multiplicity = 1
 Cl
 O                    1    B1
       Variables:
  B1                    1.15488                  
 

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.1549         estimate D2E/DX2                !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=     20 maximum allowed number of steps=    100.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         17           0        0.000000    0.000000    0.000000
      2          8           0        0.000000    0.000000    1.154876
 ---------------------------------------------------------------------
 Stoichiometry    ClO(1-)
 Framework group  C*V[C*(OCl)]
 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         17           0        0.000000    0.000000    0.369560
      2          8           0        0.000000    0.000000   -0.785316
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          34.5258509          34.5258509
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    34 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     4 symmetry adapted cartesian basis functions of A2  symmetry.
 There are    14 symmetry adapted cartesian basis functions of B1  symmetry.
 There are    14 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    30 symmetry adapted basis functions of A1  symmetry.
 There are     4 symmetry adapted basis functions of A2  symmetry.
 There are    14 symmetry adapted basis functions of B1  symmetry.
 There are    14 symmetry adapted basis functions of B2  symmetry.
    62 basis functions,   101 primitive gaussians,    66 cartesian basis functions
    13 alpha electrons       13 beta electrons
       nuclear repulsion energy        62.3167119333 Hartrees.
 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.
 One-electron integrals computed using PRISM.
 NBasis=    62 RedAO= T EigKep=  2.25D-03  NBF=    30     4    14    14
 NBsUse=    62 1.00D-06 EigRej= -1.00D+00 NBFU=    30     4    14    14
 ExpMin= 4.83D-02 ExpMax= 1.06D+05 ExpMxC= 3.62D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 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  (SG) (SG) (SG) (SG) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (PI) (PI)
       Virtual   (SG) (SG) (PI) (PI) (SG) (PI) (PI) (SG) (SG) (DLTA)
                 (DLTA) (PI) (PI) (SG) (PI) (PI) (SG) (PI) (PI)
                 (SG) (SG) (SG) (DLTA) (DLTA) (PI) (PI) (SG) (PI)
                 (PI) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (SG) (SG)
 The electronic state of the initial guess is 1-SG.
 Keep R1 ints in memory in symmetry-blocked form, NReq=2804290.
 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(RB3LYP) =  -535.105828897     A.U. after   12 cycles
            NFock= 12  Conv=0.25D-08     -V/T= 1.9978

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

            Population analysis using the SCF Density.

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

 Orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (PI) (PI)
       Virtual   (SG) (SG) (PI) (PI) (SG) (PI) (PI) (SG) (SG) (PI)
                 (PI) (DLTA) (DLTA) (SG) (PI) (PI) (SG) (PI) (PI)
                 (SG) (SG) (SG) (DLTA) (DLTA) (PI) (PI) (SG) (PI)
                 (PI) (DLTA) (DLTA) (SG) (PI) (PI) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (SG) (SG)
 The electronic state is 1-SG.
 Alpha  occ. eigenvalues -- -101.33456 -18.83306  -9.25634  -7.02239  -7.00866
 Alpha  occ. eigenvalues --   -7.00866  -1.05524  -0.40726  -0.29427  -0.29427
 Alpha  occ. eigenvalues --   -0.23021   0.06806   0.06806
 Alpha virt. eigenvalues --    0.18616   0.20855   0.21969   0.21969   0.33502
 Alpha virt. eigenvalues --    0.38192   0.38192   0.41106   0.48560   0.63870
 Alpha virt. eigenvalues --    0.63870   0.66776   0.66776   0.72841   0.87055
 Alpha virt. eigenvalues --    0.87055   1.04367   1.25642   1.25642   1.28146
 Alpha virt. eigenvalues --    1.61994   1.69363   1.73511   1.73511   2.14660
 Alpha virt. eigenvalues --    2.14660   2.40558   2.45173   2.45173   2.56543
 Alpha virt. eigenvalues --    2.56543   2.69856   2.70069   2.70069   3.15829
 Alpha virt. eigenvalues --    5.21272   5.21272   6.13243   6.95905   6.95905
 Alpha virt. eigenvalues --    7.16475   7.16475   7.37745  10.33138  26.02550
 Alpha virt. eigenvalues --   26.02550  27.89480  50.19532 216.37918
          Condensed to atoms (all electrons):
               1          2
     1  Cl  19.075659  -1.525416
     2  O   -1.525416   9.975173
 Mulliken charges:
               1
     1  Cl  -0.550243
     2  O   -0.449757
 Sum of Mulliken charges =  -1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  Cl  -0.550243
     2  O   -0.449757
 Electronic spatial extent (au):  <R**2>=             80.4563
 Charge=             -1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=             -1.3561  Tot=              1.3561
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -23.7860   YY=            -23.7860   ZZ=            -25.7946
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.6695   YY=              0.6695   ZZ=             -1.3390
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=             -4.6774  XYY=              0.0000
  XXY=              0.0000  XXZ=             -6.3921  XZZ=              0.0000  YZZ=              0.0000
  YYZ=             -6.3921  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -47.8776 YYYY=            -47.8776 ZZZZ=            -73.7211 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=            -15.9592 XXZZ=            -22.5077 YYZZ=            -22.5077
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 6.231671193326D+01 E-N=-1.404458918472D+03  KE= 5.362923246597D+02
 Symmetry A1   KE= 4.358679766005D+02
 Symmetry A2   KE= 2.807243226030D-50
 Symmetry B1   KE= 5.021217402959D+01
 Symmetry B2   KE= 5.021217402959D+01
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       17          -0.000000000   -0.000000000   -1.128098130
      2        8          -0.000000000   -0.000000000    1.128098130
 -------------------------------------------------------------------
 Cartesian Forces:  Max     1.128098130 RMS     0.651307759

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     1.128098130 RMS     1.128098130
 Search for a local minimum.
 Step number   1 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Second derivative matrix not updated -- first step.
 The second derivative matrix:
                          R1
           R1           6.02043
 ITU=  0
     Eigenvalues ---    6.02043
 RFO step:  Lambda=-2.04438845D-01 EMin= 6.02043192D+00
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.12814496 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 0.00D+00 for atom     0.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.18240   1.12810   0.00000   0.18122   0.18122   2.36362
         Item               Value     Threshold  Converged?
 Maximum Force            1.128098     0.000450     NO 
 RMS     Force            1.128098     0.000300     NO 
 Maximum Displacement     0.090612     0.001800     NO 
 RMS     Displacement     0.128145     0.001200     NO 
 Predicted change in Energy=-1.055765D-01
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         17           0        0.000000    0.000000   -0.047950
      2          8           0        0.000000    0.000000    1.202826
 ---------------------------------------------------------------------
 Stoichiometry    ClO(1-)
 Framework group  C*V[C*(OCl)]
 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         17           0        0.000000    0.000000    0.400248
      2          8           0        0.000000    0.000000   -0.850528
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          29.4344681          29.4344681
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    34 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     4 symmetry adapted cartesian basis functions of A2  symmetry.
 There are    14 symmetry adapted cartesian basis functions of B1  symmetry.
 There are    14 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    30 symmetry adapted basis functions of A1  symmetry.
 There are     4 symmetry adapted basis functions of A2  symmetry.
 There are    14 symmetry adapted basis functions of B1  symmetry.
 There are    14 symmetry adapted basis functions of B2  symmetry.
    62 basis functions,   101 primitive gaussians,    66 cartesian basis functions
    13 alpha electrons       13 beta electrons
       nuclear repulsion energy        57.5387510269 Hartrees.
 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.
 One-electron integrals computed using PRISM.
 NBasis=    62 RedAO= T EigKep=  3.13D-03  NBF=    30     4    14    14
 NBsUse=    62 1.00D-06 EigRej= -1.00D+00 NBFU=    30     4    14    14
 Initial guess from the checkpoint file:  "/scratch/webmo-1704971/33159/Gau-1449547.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (PI) (PI)
       Virtual   (SG) (SG) (PI) (PI) (SG) (PI) (PI) (SG) (SG) (PI)
                 (PI) (DLTA) (DLTA) (SG) (PI) (PI) (SG) (PI) (PI)
                 (SG) (SG) (SG) (DLTA) (DLTA) (PI) (PI) (SG) (PI)
                 (PI) (DLTA) (DLTA) (SG) (PI) (PI) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (SG) (SG)
 ExpMin= 4.83D-02 ExpMax= 1.06D+05 ExpMxC= 3.62D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 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.
 Keep R1 ints in memory in symmetry-blocked form, NReq=2804290.
 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(RB3LYP) =  -535.262576365     A.U. after   11 cycles
            NFock= 11  Conv=0.17D-08     -V/T= 1.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       17          -0.000000000   -0.000000000   -0.644820752
      2        8          -0.000000000   -0.000000000    0.644820752
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.644820752 RMS     0.372287435

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.644820752 RMS     0.644820752
 Search for a local minimum.
 Step number   2 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    1    2
 DE= -1.57D-01 DEPred=-1.06D-01 R= 1.48D+00
 TightC=F SS=  1.41D+00  RLast= 1.81D-01 DXNew= 5.0454D-01 5.4367D-01
 Trust test= 1.48D+00 RLast= 1.81D-01 DXMaxT set to 5.05D-01
 The second derivative matrix:
                          R1
           R1           2.66674
 ITU=  1  0
 Use linear search instead of GDIIS.
 Linear search step of   1.094 exceeds DXMaxT=   0.505 scaled by   0.922
 Quartic linear search produced a step of  5.56810.
 Iteration  1 RMS(Cart)=  0.14142136 RMS(Int)=  0.80907570
 Iteration  2 RMS(Cart)=  0.14142136 RMS(Int)=  0.60907570
 Iteration  3 RMS(Cart)=  0.14142136 RMS(Int)=  0.40907570
 Iteration  4 RMS(Cart)=  0.14142136 RMS(Int)=  0.20907570
 Iteration  5 RMS(Cart)=  0.14142136 RMS(Int)=  0.00907570
 Iteration  6 RMS(Cart)=  0.00641749 RMS(Int)=  0.00000000
 Iteration  7 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 1.11D-16 for atom     1.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.36362   0.64482   1.00908   0.00000   1.00908   3.37270
         Item               Value     Threshold  Converged?
 Maximum Force            0.644821     0.000450     NO 
 RMS     Force            0.644821     0.000300     NO 
 Maximum Displacement     0.504538     0.001800     NO 
 RMS     Displacement     0.713524     0.001200     NO 
 Predicted change in Energy=-7.070071D-01
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         17           0        0.000000    0.000000   -0.314940
      2          8           0        0.000000    0.000000    1.469816
 ---------------------------------------------------------------------
 Stoichiometry    ClO(1-)
 Framework group  C*V[C*(OCl)]
 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         17           0        0.000000    0.000000    0.571122
      2          8           0        0.000000    0.000000   -1.213634
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          14.4563175          14.4563175
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    34 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     4 symmetry adapted cartesian basis functions of A2  symmetry.
 There are    14 symmetry adapted cartesian basis functions of B1  symmetry.
 There are    14 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    30 symmetry adapted basis functions of A1  symmetry.
 There are     4 symmetry adapted basis functions of A2  symmetry.
 There are    14 symmetry adapted basis functions of B1  symmetry.
 There are    14 symmetry adapted basis functions of B2  symmetry.
    62 basis functions,   101 primitive gaussians,    66 cartesian basis functions
    13 alpha electrons       13 beta electrons
       nuclear repulsion energy        40.3237741701 Hartrees.
 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.
 One-electron integrals computed using PRISM.
 NBasis=    62 RedAO= T EigKep=  1.07D-02  NBF=    30     4    14    14
 NBsUse=    62 1.00D-06 EigRej= -1.00D+00 NBFU=    30     4    14    14
 Initial guess from the checkpoint file:  "/scratch/webmo-1704971/33159/Gau-1449547.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (PI) (PI)
       Virtual   (SG) (SG) (PI) (PI) (SG) (PI) (PI) (SG) (SG) (PI)
                 (PI) (DLTA) (DLTA) (SG) (PI) (PI) (SG) (SG) (PI)
                 (PI) (SG) (SG) (DLTA) (DLTA) (PI) (PI) (SG) (PI)
                 (PI) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (SG) (SG)
 ExpMin= 4.83D-02 ExpMax= 1.06D+05 ExpMxC= 3.62D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 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.
 Keep R1 ints in memory in symmetry-blocked form, NReq=2804290.
 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(RB3LYP) =  -535.439332042     A.U. after   12 cycles
            NFock= 12  Conv=0.87D-08     -V/T= 2.0026
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       17          -0.000000000   -0.000000000    0.016069457
      2        8          -0.000000000   -0.000000000   -0.016069457
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.016069457 RMS     0.009277705

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.016069457 RMS     0.016069457
 Search for a local minimum.
 Step number   3 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    2    3
 The second derivative matrix:
                          R1
           R1           0.65495
 ITU=  0  1
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.65495
 RFO step:  Lambda= 0.00000000D+00 EMin= 6.54946116D-01
 Quartic linear search produced a step of -0.18429.
 Iteration  1 RMS(Cart)=  0.13149464 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 0.00D+00 for atom     0.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        3.37270  -0.01607  -0.18596   0.00000  -0.18596   3.18674
         Item               Value     Threshold  Converged?
 Maximum Force            0.016069     0.000450     NO 
 RMS     Force            0.016069     0.000300     NO 
 Maximum Displacement     0.092981     0.001800     NO 
 RMS     Displacement     0.131495     0.001200     NO 
 Predicted change in Energy=-8.336268D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         17           0        0.000000    0.000000   -0.265737
      2          8           0        0.000000    0.000000    1.420613
 ---------------------------------------------------------------------
 Stoichiometry    ClO(1-)
 Framework group  C*V[C*(OCl)]
 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         17           0        0.000000    0.000000    0.539632
      2          8           0        0.000000    0.000000   -1.146718
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          16.1927364          16.1927364
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    34 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     4 symmetry adapted cartesian basis functions of A2  symmetry.
 There are    14 symmetry adapted cartesian basis functions of B1  symmetry.
 There are    14 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    30 symmetry adapted basis functions of A1  symmetry.
 There are     4 symmetry adapted basis functions of A2  symmetry.
 There are    14 symmetry adapted basis functions of B1  symmetry.
 There are    14 symmetry adapted basis functions of B2  symmetry.
    62 basis functions,   101 primitive gaussians,    66 cartesian basis functions
    13 alpha electrons       13 beta electrons
       nuclear repulsion energy        42.6768599960 Hartrees.
 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.
 One-electron integrals computed using PRISM.
 NBasis=    62 RedAO= T EigKep=  9.36D-03  NBF=    30     4    14    14
 NBsUse=    62 1.00D-06 EigRej= -1.00D+00 NBFU=    30     4    14    14
 Initial guess from the checkpoint file:  "/scratch/webmo-1704971/33159/Gau-1449547.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (PI) (PI) (SG) (SG) (SG) (PI)
                 (PI) (PI) (PI)
       Virtual   (SG) (SG) (PI) (PI) (SG) (SG) (PI) (PI) (SG) (SG)
                 (PI) (PI) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (SG)
                 (PI) (PI) (SG) (DLTA) (DLTA) (PI) (PI) (SG) (PI)
                 (PI) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (SG) (SG)
 ExpMin= 4.83D-02 ExpMax= 1.06D+05 ExpMxC= 3.62D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 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.
 Keep R1 ints in memory in symmetry-blocked form, NReq=2804290.
 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(RB3LYP) =  -535.439850027     A.U. after   10 cycles
            NFock= 10  Conv=0.94D-09     -V/T= 2.0024
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       17          -0.000000000   -0.000000000   -0.012891490
      2        8          -0.000000000   -0.000000000    0.012891490
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.012891490 RMS     0.007442905

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.012891490 RMS     0.012891490
 Search for a local minimum.
 Step number   4 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    3    4
 DE= -5.18D-04 DEPred=-8.34D-03 R= 6.21D-02
 Trust test= 6.21D-02 RLast= 1.86D-01 DXMaxT set to 2.52D-01
 The second derivative matrix:
                          R1
           R1           0.15574
 ITU= -1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.15574
 RFO step:  Lambda= 0.00000000D+00 EMin= 1.55736250D-01
 Quartic linear search produced a step of -0.38584.
 Iteration  1 RMS(Cart)=  0.05073561 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 0.00D+00 for atom     0.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        3.18674   0.01289   0.07175   0.00000   0.07175   3.25849
         Item               Value     Threshold  Converged?
 Maximum Force            0.012891     0.000450     NO 
 RMS     Force            0.012891     0.000300     NO 
 Maximum Displacement     0.035875     0.001800     NO 
 RMS     Displacement     0.050736     0.001200     NO 
 Predicted change in Energy=-5.240961D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         17           0        0.000000    0.000000   -0.284721
      2          8           0        0.000000    0.000000    1.439597
 ---------------------------------------------------------------------
 Stoichiometry    ClO(1-)
 Framework group  C*V[C*(OCl)]
 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         17           0        0.000000    0.000000    0.551782
      2          8           0        0.000000    0.000000   -1.172537
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          15.4874691          15.4874691
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    34 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     4 symmetry adapted cartesian basis functions of A2  symmetry.
 There are    14 symmetry adapted cartesian basis functions of B1  symmetry.
 There are    14 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    30 symmetry adapted basis functions of A1  symmetry.
 There are     4 symmetry adapted basis functions of A2  symmetry.
 There are    14 symmetry adapted basis functions of B1  symmetry.
 There are    14 symmetry adapted basis functions of B2  symmetry.
    62 basis functions,   101 primitive gaussians,    66 cartesian basis functions
    13 alpha electrons       13 beta electrons
       nuclear repulsion energy        41.7371280395 Hartrees.
 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.
 One-electron integrals computed using PRISM.
 NBasis=    62 RedAO= T EigKep=  9.87D-03  NBF=    30     4    14    14
 NBsUse=    62 1.00D-06 EigRej= -1.00D+00 NBFU=    30     4    14    14
 Initial guess from the checkpoint file:  "/scratch/webmo-1704971/33159/Gau-1449547.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (PI) (PI) (SG) (SG) (SG) (PI)
                 (PI) (PI) (PI)
       Virtual   (SG) (SG) (PI) (PI) (SG) (SG) (PI) (PI) (SG) (SG)
                 (PI) (PI) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (SG)
                 (PI) (PI) (SG) (DLTA) (DLTA) (PI) (PI) (SG) (PI)
                 (PI) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (SG) (SG)
 ExpMin= 4.83D-02 ExpMax= 1.06D+05 ExpMxC= 3.62D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 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.
 Keep R1 ints in memory in symmetry-blocked form, NReq=2804290.
 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(RB3LYP) =  -535.440297267     A.U. after    9 cycles
            NFock=  9  Conv=0.53D-08     -V/T= 2.0025
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       17          -0.000000000   -0.000000000    0.000011775
      2        8          -0.000000000   -0.000000000   -0.000011775
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011775 RMS     0.000006798

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000011775 RMS     0.000011775
 Search for a local minimum.
 Step number   5 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    4    5
 DE= -4.47D-04 DEPred=-5.24D-04 R= 8.53D-01
 TightC=F SS=  1.41D+00  RLast= 7.18D-02 DXNew= 4.2426D-01 2.1525D-01
 Trust test= 8.53D-01 RLast= 7.18D-02 DXMaxT set to 2.52D-01
 The second derivative matrix:
                          R1
           R1           0.17983
 ITU=  1 -1
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.17983
 RFO step:  Lambda= 0.00000000D+00 EMin= 1.79833965D-01
 Quartic linear search produced a step of -0.00101.
 Iteration  1 RMS(Cart)=  0.00005113 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 0.00D+00 for atom     0.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        3.25849  -0.00001  -0.00007  -0.00000  -0.00007   3.25842
         Item               Value     Threshold  Converged?
 Maximum Force            0.000012     0.000450     YES
 RMS     Force            0.000012     0.000300     YES
 Maximum Displacement     0.000036     0.001800     YES
 RMS     Displacement     0.000051     0.001200     YES
 Predicted change in Energy=-3.813044D-10
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.7243         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         17           0        0.000000    0.000000   -0.284721
      2          8           0        0.000000    0.000000    1.439597
 ---------------------------------------------------------------------
 Stoichiometry    ClO(1-)
 Framework group  C*V[C*(OCl)]
 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         17           0        0.000000    0.000000    0.551782
      2          8           0        0.000000    0.000000   -1.172537
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          15.4874691          15.4874691

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

            Population analysis using the SCF Density.

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

 Orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (PI) (PI) (SG) (SG) (SG) (PI)
                 (PI) (PI) (PI)
       Virtual   (SG) (SG) (PI) (PI) (SG) (SG) (PI) (PI) (SG) (SG)
                 (PI) (PI) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (SG)
                 (PI) (PI) (SG) (DLTA) (DLTA) (PI) (PI) (SG) (PI)
                 (PI) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (SG) (SG)
 The electronic state is 1-SG.
 Alpha  occ. eigenvalues -- -101.33303 -18.85185  -9.24267  -7.00805  -6.99766
 Alpha  occ. eigenvalues --   -6.99766  -0.69960  -0.49686  -0.15960  -0.12590
 Alpha  occ. eigenvalues --   -0.12590   0.01119   0.01119
 Alpha virt. eigenvalues --    0.17094   0.19655   0.22358   0.22358   0.26595
 Alpha virt. eigenvalues --    0.35757   0.39298   0.39298   0.49647   0.62962
 Alpha virt. eigenvalues --    0.64618   0.64618   0.68830   0.68830   0.72419
 Alpha virt. eigenvalues --    0.72419   0.87120   1.20887   1.31674   1.32473
 Alpha virt. eigenvalues --    1.32473   1.74374   1.77440   1.77440   1.87480
 Alpha virt. eigenvalues --    1.87480   2.26749   2.48171   2.48171   2.57808
 Alpha virt. eigenvalues --    2.57809   2.68589   2.68589   2.72515   2.95538
 Alpha virt. eigenvalues --    5.24787   5.24787   5.26699   7.00667   7.00667
 Alpha virt. eigenvalues --    7.08038   7.08038   7.36372   9.86572  26.00866
 Alpha virt. eigenvalues --   26.00866  26.66582  50.11524 215.82147
          Condensed to atoms (all electrons):
               1          2
     1  Cl  17.568506  -0.267457
     2  O   -0.267457   8.966408
 Mulliken charges:
               1
     1  Cl  -0.301049
     2  O   -0.698951
 Sum of Mulliken charges =  -1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  Cl  -0.301049
     2  O   -0.698951
 Electronic spatial extent (au):  <R**2>=            110.4495
 Charge=             -1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=              2.6550  Tot=              2.6550
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -22.0921   YY=            -22.0921   ZZ=            -26.6842
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.5307   YY=              1.5307   ZZ=             -3.0614
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=              6.6149  XYY=              0.0000
  XXY=              0.0000  XXZ=              0.1410  XZZ=              0.0000  YZZ=              0.0000
  YYZ=              0.1410  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -29.4285 YYYY=            -29.4285 ZZZZ=           -111.6412 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -9.8095 XXZZ=            -25.7423 YYZZ=            -25.7423
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 4.173712803949D+01 E-N=-1.363203335930D+03  KE= 5.341289800518D+02
 Symmetry A1   KE= 4.337774263406D+02
 Symmetry A2   KE= 5.694948749325D-51
 Symmetry B1   KE= 5.017577685560D+01
 Symmetry B2   KE= 5.017577685560D+01
 B after Tr=     0.000000    0.000000    0.193696
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Final structure in terms of initial Z-matrix:
 Cl
 O,1,B1
      Variables:
 B1=1.72431847
 Unable to Open any file for archive entry.
 1\1\GINC-COMPUTE-0-0\FOpt\RB3LYP\6-311+G(2d,p)\Cl1O1(1-)\BESSELMAN\14-
 Mar-2023\0\\#N B3LYP/6-311+G(2d,p) OPT FREQ Geom=Connectivity\\OCl(-1)
  hypochlorite\\-1,1\Cl,0.,0.,-0.2847210281\O,0.,0.,1.4395974401\\Versi
 on=ES64L-G16RevC.01\State=1-SG\HF=-535.4402973\RMSD=5.257e-09\RMSF=6.7
 98e-06\Dipole=0.,0.,-1.0445733\Quadrupole=1.1380521,1.1380521,-2.27610
 42,0.,0.,0.\PG=C*V [C*(O1Cl1)]\\@
 The archive entry for this job was punched.


 BUT 'GLORY' DOESN'T MEAN 'A NICE KNOCK DOWN ARGUMENT', ALICE OBJECTED.
 WHEN I USE A WORD, HUMPTY DUMPTY SAID, IN A RATHER SCORNFUL TONE,
 IT MEANS JUST WHAT I CHOOSE IT TO MEAN....
 NEITHER MORE NOR LESS....
 THE QUESTION IS, SAID ALICE,
 WHETHER YOU CAN MAKE WORDS MEAN SO MANY DIFFERENT THINGS...
 THE QUESTION IS, SAID HUMPTY DUMPTY,
 WHICH IS TO BE MASTER....
 THAT IS ALL.....

 ALICE THROUGH THE LOOKING GLASS
 Job cpu time:       0 days  0 hours  0 minutes 12.2 seconds.
 Elapsed time:       0 days  0 hours  0 minutes 12.1 seconds.
 File lengths (MBytes):  RWF=      6 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 16 at Tue Mar 14 20:50:47 2023.
 Link1:  Proceeding to internal job step number  2.
 ----------------------------------------------------------------------
 #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(2d,p) F
 req
 ----------------------------------------------------------------------
 1/10=4,29=7,30=1,38=1,40=1/1,3;
 2/12=2,40=1/2;
 3/5=4,6=6,7=112,11=2,14=-4,25=1,30=1,70=2,71=2,74=-5,116=1,140=1/1,2,3;
 4/5=101/1;
 5/5=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 11/6=1,8=1,9=11,15=111,16=1/1,2,10;
 10/6=1/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,10=1,25=1/1,2,3,16;
 1/10=4,30=1/3;
 99//99;
 Structure from the checkpoint file:  "/scratch/webmo-1704971/33159/Gau-1449547.chk"
 --------------------
 OCl(-1) hypochlorite
 --------------------
 Charge = -1 Multiplicity = 1
 Redundant internal coordinates found in file.  (old form).
 Cl,0,0.,0.,-0.2847210281
 O,0,0.,0.,1.4395974401
 Recover connectivity data from disk.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.7243         calculate D2E/DX2 analytically  !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=      2 maximum allowed number of steps=      2.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         17           0        0.000000    0.000000   -0.284721
      2          8           0        0.000000    0.000000    1.439597
 ---------------------------------------------------------------------
 Stoichiometry    ClO(1-)
 Framework group  C*V[C*(OCl)]
 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         17           0        0.000000    0.000000    0.551782
      2          8           0        0.000000    0.000000   -1.172537
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          15.4874691          15.4874691
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    34 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     4 symmetry adapted cartesian basis functions of A2  symmetry.
 There are    14 symmetry adapted cartesian basis functions of B1  symmetry.
 There are    14 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    30 symmetry adapted basis functions of A1  symmetry.
 There are     4 symmetry adapted basis functions of A2  symmetry.
 There are    14 symmetry adapted basis functions of B1  symmetry.
 There are    14 symmetry adapted basis functions of B2  symmetry.
    62 basis functions,   101 primitive gaussians,    66 cartesian basis functions
    13 alpha electrons       13 beta electrons
       nuclear repulsion energy        41.7371280395 Hartrees.
 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.
 One-electron integrals computed using PRISM.
 NBasis=    62 RedAO= T EigKep=  9.87D-03  NBF=    30     4    14    14
 NBsUse=    62 1.00D-06 EigRej= -1.00D+00 NBFU=    30     4    14    14
 Initial guess from the checkpoint file:  "/scratch/webmo-1704971/33159/Gau-1449547.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (PI) (PI) (SG) (SG) (SG) (PI)
                 (PI) (PI) (PI)
       Virtual   (SG) (SG) (PI) (PI) (SG) (SG) (PI) (PI) (SG) (SG)
                 (PI) (PI) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (SG)
                 (PI) (PI) (SG) (DLTA) (DLTA) (PI) (PI) (SG) (PI)
                 (PI) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (SG) (SG)
 Keep R1 ints in memory in symmetry-blocked form, NReq=2804290.
 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(RB3LYP) =  -535.440297267     A.U. after    1 cycles
            NFock=  1  Conv=0.54D-09     -V/T= 2.0025
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1    62
 NBasis=    62 NAE=    13 NBE=    13 NFC=     0 NFV=     0
 NROrb=     62 NOA=    13 NOB=    13 NVA=    49 NVB=    49
 Symmetrizing basis deriv contribution to polar:
 IMax=3 JMax=2 DiffMx= 0.00D+00
 G2DrvN: will do     3 centers at a time, making    1 passes.
 Calling FoFCou, ICntrl=  3107 FMM=F I1Cent=   0 AccDes= 0.00D+00.
 End of G2Drv F.D. properties file   721 does not exist.
 End of G2Drv F.D. properties file   722 does not exist.
 End of G2Drv F.D. properties file   788 does not exist.
          IDoAtm=11
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
 Keep R1 ints in memory in symmetry-blocked form, NReq=2803001.
          There are     9 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.
      6 vectors produced by pass  0 Test12= 7.08D-15 1.11D-08 XBig12= 3.40D+01 4.62D+00.
 AX will form     6 AO Fock derivatives at one time.
      6 vectors produced by pass  1 Test12= 7.08D-15 1.11D-08 XBig12= 2.78D+01 2.48D+00.
      6 vectors produced by pass  2 Test12= 7.08D-15 1.11D-08 XBig12= 3.95D+00 5.19D-01.
      6 vectors produced by pass  3 Test12= 7.08D-15 1.11D-08 XBig12= 2.14D-01 1.74D-01.
      6 vectors produced by pass  4 Test12= 7.08D-15 1.11D-08 XBig12= 2.01D-03 1.59D-02.
      6 vectors produced by pass  5 Test12= 7.08D-15 1.11D-08 XBig12= 8.67D-06 1.04D-03.
      4 vectors produced by pass  6 Test12= 7.08D-15 1.11D-08 XBig12= 2.95D-08 4.57D-05.
      4 vectors produced by pass  7 Test12= 7.08D-15 1.11D-08 XBig12= 5.21D-11 2.04D-06.
      1 vectors produced by pass  8 Test12= 7.08D-15 1.11D-08 XBig12= 6.97D-14 8.62D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.55D-16
 Solved reduced A of dimension    45 with     6 vectors.
 Isotropic polarizability for W=    0.000000       25.60 Bohr**3.
 End of Minotr F.D. properties file   721 does not exist.
 End of Minotr F.D. properties file   722 does not exist.
 End of Minotr F.D. properties file   788 does not exist.

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

            Population analysis using the SCF Density.

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

 Orbital symmetries:
       Occupied  (SG) (SG) (SG) (SG) (PI) (PI) (SG) (SG) (SG) (PI)
                 (PI) (PI) (PI)
       Virtual   (SG) (SG) (PI) (PI) (SG) (SG) (PI) (PI) (SG) (SG)
                 (PI) (PI) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (SG)
                 (PI) (PI) (SG) (DLTA) (DLTA) (PI) (PI) (SG) (PI)
                 (PI) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (PI) (PI)
                 (SG) (SG) (SG)
 The electronic state is 1-SG.
 Alpha  occ. eigenvalues -- -101.33303 -18.85185  -9.24267  -7.00805  -6.99766
 Alpha  occ. eigenvalues --   -6.99766  -0.69960  -0.49686  -0.15960  -0.12590
 Alpha  occ. eigenvalues --   -0.12590   0.01119   0.01119
 Alpha virt. eigenvalues --    0.17094   0.19655   0.22358   0.22358   0.26595
 Alpha virt. eigenvalues --    0.35757   0.39298   0.39298   0.49647   0.62962
 Alpha virt. eigenvalues --    0.64618   0.64618   0.68830   0.68830   0.72419
 Alpha virt. eigenvalues --    0.72419   0.87120   1.20887   1.31674   1.32473
 Alpha virt. eigenvalues --    1.32473   1.74374   1.77440   1.77440   1.87480
 Alpha virt. eigenvalues --    1.87480   2.26749   2.48171   2.48171   2.57808
 Alpha virt. eigenvalues --    2.57809   2.68589   2.68589   2.72515   2.95538
 Alpha virt. eigenvalues --    5.24787   5.24787   5.26699   7.00667   7.00667
 Alpha virt. eigenvalues --    7.08038   7.08038   7.36372   9.86572  26.00866
 Alpha virt. eigenvalues --   26.00866  26.66582  50.11524 215.82147
          Condensed to atoms (all electrons):
               1          2
     1  Cl  17.568506  -0.267457
     2  O   -0.267457   8.966408
 Mulliken charges:
               1
     1  Cl  -0.301049
     2  O   -0.698951
 Sum of Mulliken charges =  -1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  Cl  -0.301049
     2  O   -0.698951
 APT charges:
               1
     1  Cl  -0.384511
     2  O   -0.615489
 Sum of APT charges =  -1.00000
 APT charges with hydrogens summed into heavy atoms:
               1
     1  Cl  -0.384511
     2  O   -0.615489
 Electronic spatial extent (au):  <R**2>=            110.4495
 Charge=             -1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=              2.6550  Tot=              2.6550
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -22.0921   YY=            -22.0921   ZZ=            -26.6842
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.5307   YY=              1.5307   ZZ=             -3.0614
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=              6.6149  XYY=              0.0000
  XXY=              0.0000  XXZ=              0.1410  XZZ=              0.0000  YZZ=              0.0000
  YYZ=              0.1410  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -29.4285 YYYY=            -29.4285 ZZZZ=           -111.6412 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -9.8095 XXZZ=            -25.7423 YYZZ=            -25.7423
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 4.173712803949D+01 E-N=-1.363203335156D+03  KE= 5.341289796908D+02
 Symmetry A1   KE= 4.337774262045D+02
 Symmetry A2   KE=-4.743926815350D-51
 Symmetry B1   KE= 5.017577674319D+01
 Symmetry B2   KE= 5.017577674319D+01
  Exact polarizability:      20.810       0.000      20.810       0.000       0.000      35.178
 Approx polarizability:      25.196      -0.000      25.196      -0.000      -0.000      52.645
 Calling FoFJK, ICntrl=    100127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0050   -0.0050   -0.0025    4.9004    4.9004  626.7351
 Diagonal vibrational polarizability:
        0.0000000       0.0000000       0.3849533
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 and normal coordinates:
                      1
                     SG
 Frequencies --    626.7351
 Red. masses --     19.2778
 Frc consts  --      4.4614
 IR Inten    --      5.6188
  Atom  AN      X      Y      Z
     1  17    -0.00  -0.00  -0.42
     2   8    -0.00  -0.00   0.91

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number 17 and mass  34.96885
 Atom     2 has atomic number  8 and mass  15.99491
 Molecular mass:    50.96377 amu.
 Principal axes and moments of inertia in atomic units:
                                 1                 2                 3
     Eigenvalues --            0.000000        116.529123        116.529123
           X                   0.000000         -0.000000          1.000000
           Y                   0.000000          1.000000          0.000000
           Z                   1.000000          0.000000          0.000000
 This molecule is a prolate symmetric top.
 Rotational symmetry number  1.
 Rotational temperature (Kelvin)      0.74328
 Rotational constant (GHZ):          15.487469
 Zero-point vibrational energy       3748.7 (Joules/Mol)
                                    0.89596 (Kcal/Mol)
 Vibrational temperatures:    901.73
          (Kelvin)
 
 Zero-point correction=                           0.001428 (Hartree/Particle)
 Thermal correction to Energy=                    0.003934
 Thermal correction to Enthalpy=                  0.004878
 Thermal correction to Gibbs Free Energy=        -0.019835
 Sum of electronic and zero-point Energies=           -535.438869
 Sum of electronic and thermal Energies=              -535.436363
 Sum of electronic and thermal Enthalpies=            -535.435419
 Sum of electronic and thermal Free Energies=         -535.460132
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                    2.469              5.944             52.014
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             37.709
 Rotational               0.592              1.987             13.899
 Vibrational              0.987              0.976              0.406
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.132896D+10          9.123513         21.007664
 Total V=0       0.602918D+10          9.780258         22.519877
 Vib (Bot)       0.231678D+00         -0.635115         -1.462406
 Vib (V=0)       0.105107D+01          0.021630          0.049806
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.143003D+08          7.155346         16.475793
 Rotational      0.401127D+03          2.603282          5.994277
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       17          -0.000000000   -0.000000000    0.000011764
      2        8          -0.000000000   -0.000000000   -0.000011764
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011764 RMS     0.000006792
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Internal  Forces:  Max     0.000011764 RMS     0.000011764
 Search for a local minimum.
 Step number   1 out of a maximum of    2
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Second derivative matrix not updated -- analytic derivatives used.
 The second derivative matrix:
                          R1
           R1           0.16314
 ITU=  0
     Eigenvalues ---    0.16314
 Angle between quadratic step and forces=   0.00 degrees.
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.00005099 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 0.00D+00 for atom     0.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        3.25849  -0.00001   0.00000  -0.00007  -0.00007   3.25842
         Item               Value     Threshold  Converged?
 Maximum Force            0.000012     0.000450     YES
 RMS     Force            0.000012     0.000300     YES
 Maximum Displacement     0.000036     0.001800     YES
 RMS     Displacement     0.000051     0.001200     YES
 Predicted change in Energy=-4.241736D-10
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.7243         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad


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

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.104457D+01      0.265504D+01      0.885626D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z         -0.104457D+01     -0.265504D+01     -0.885626D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.255993D+02      0.379342D+01      0.422075D+01
   aniso      0.143683D+02      0.212917D+01      0.236902D+01
   xx         0.208098D+02      0.308370D+01      0.343108D+01
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.208098D+02      0.308370D+01      0.343108D+01
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.351782D+02      0.521287D+01      0.580010D+01

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

 Dipole orientation:
    17          0.00000000          0.00000000          0.53804476
     8          0.00000000          0.00000000         -2.72044489

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.104457D+01      0.265504D+01      0.885626D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.104457D+01      0.265504D+01      0.885626D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.255993D+02      0.379342D+01      0.422075D+01
   aniso      0.143683D+02      0.212917D+01      0.236902D+01
   xx         0.208098D+02      0.308370D+01      0.343108D+01
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.208098D+02      0.308370D+01      0.343108D+01
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.351782D+02      0.521287D+01      0.580010D+01

 ----------------------------------------------------------------------
 Unable to Open any file for archive entry.
 1\1\GINC-COMPUTE-0-0\Freq\RB3LYP\6-311+G(2d,p)\Cl1O1(1-)\BESSELMAN\14-
 Mar-2023\0\\#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-3
 11+G(2d,p) Freq\\OCl(-1) hypochlorite\\-1,1\Cl,0.,0.,-0.2847210281\O,0
 .,0.,1.4395974401\\Version=ES64L-G16RevC.01\State=1-SG\HF=-535.4402973
 \RMSD=5.357e-10\RMSF=6.792e-06\ZeroPoint=0.0014278\Thermal=0.0039341\E
 Tot=-535.4363632\HTot=-535.435419\GTot=-535.4601324\Dipole=0.,0.,-1.04
 45733\DipoleDeriv=-0.3594439,0.,0.,0.,-0.3594439,0.,0.,0.,-0.4346461,-
 0.6405561,0.,0.,0.,-0.6405561,0.,0.,0.,-0.5653539\Polar=20.8098464,0.,
 20.8098464,0.,0.,35.1781869\Quadrupole=1.1380521,1.1380521,-2.2761041,
 0.,0.,0.\PG=C*V [C*(O1Cl1)]\NImag=0\\0.00000997,0.,0.00000997,0.,0.,0.
 16314033,-0.00000997,0.,0.,0.00000997,0.,-0.00000997,0.,0.,0.00000997,
 0.,0.,-0.16314033,0.,0.,0.16314033\\0.,0.,-0.00001176,0.,0.,0.00001176
 \\\@
 The archive entry for this job was punched.


 ONLY A FOOL KNOWS EVERYTHING.

               -- THE CHEMIST ANALYST, SEPTEMBER 1946
 Job cpu time:       0 days  0 hours  0 minutes  6.2 seconds.
 Elapsed time:       0 days  0 hours  0 minutes  6.2 seconds.
 File lengths (MBytes):  RWF=      6 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 16 at Tue Mar 14 20:50:53 2023.