 Entering Gaussian System, Link 0=g16
 Initial command:
 /N/soft/cle6/gaussian/g16/g16/l1.exe "/N/dc2/scratch/virgandh/Gau-41931.inp" -scrdir="/N/dc2/scratch/virgandh/"
 Entering Link 1 = /N/soft/cle6/gaussian/g16/g16/l1.exe PID=     41960.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            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
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
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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
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
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 business of creating and licensing software in the field of
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 Cite this work as:
 Gaussian 16, Revision A.03,
 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, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Feb-2020 
 ******************************************
 %NProcShared=24
 Will use up to   24 processors via shared memory.
 ---------------------
 #n B3LYP/6-31G(d) Opt
 ---------------------
 1/18=20,19=15,26=3,38=1/1,3;
 2/9=110,12=2,17=6,18=5,40=1/2;
 3/5=1,6=6,7=1,11=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=1,6=6,7=1,11=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;
 --
 Ar
 --
 Symbolic Z-matrix:
 Charge =  1 Multiplicity = 2
 Ar                   -4.48183  -5.85611  -5.53365 
 

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
 No Z-matrix variables, so optimization will use Cartesian coordinates.
 Trust Radius=1.00D-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         18           0       -4.481830   -5.856110   -5.533650
 ---------------------------------------------------------------------
 Stoichiometry    Ar(1+,2)
 Framework group  OH[O(Ar)]
 Deg. of freedom     0
 Full point group                 OH      NOp  48
 Largest Abelian subgroup         D2H     NOp   8
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         18           0        0.000000    0.000000    0.000000
 ---------------------------------------------------------------------
 Standard basis: 6-31G(d) (6D, 7F)
 There are     7 symmetry adapted cartesian basis functions of AG  symmetry.
 There are     1 symmetry adapted cartesian basis functions of B1G symmetry.
 There are     1 symmetry adapted cartesian basis functions of B2G symmetry.
 There are     1 symmetry adapted cartesian basis functions of B3G symmetry.
 There are     0 symmetry adapted cartesian basis functions of AU  symmetry.
 There are     3 symmetry adapted cartesian basis functions of B1U symmetry.
 There are     3 symmetry adapted cartesian basis functions of B2U symmetry.
 There are     3 symmetry adapted cartesian basis functions of B3U symmetry.
 There are     7 symmetry adapted basis functions of AG  symmetry.
 There are     1 symmetry adapted basis functions of B1G symmetry.
 There are     1 symmetry adapted basis functions of B2G symmetry.
 There are     1 symmetry adapted basis functions of B3G symmetry.
 There are     0 symmetry adapted basis functions of AU  symmetry.
 There are     3 symmetry adapted basis functions of B1U symmetry.
 There are     3 symmetry adapted basis functions of B2U symmetry.
 There are     3 symmetry adapted basis functions of B3U symmetry.
    19 basis functions,    52 primitive gaussians,    19 cartesian basis functions
     9 alpha electrons        8 beta electrons
       nuclear repulsion energy         0.0000000000 Hartrees.
 NAtoms=    1 NActive=    1 NUniq=    1 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=    19 RedAO= T EigKep=  2.55D-02  NBF=     7     1     1     1     0     3     3     3
 NBsUse=    19 1.00D-06 EigRej= -1.00D+00 NBFU=     7     1     1     1     0     3     3     3
 ExpMin= 1.74D-01 ExpMax= 2.83D+04 ExpMxC= 4.26D+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:
 Alpha Orbitals:
       Occupied  (A1G) (A1G) (T1U) (T1U) (T1U) (A1G) (T1U) (T1U)
                 (T1U)
       Virtual   (A1G) (T1U) (T1U) (T1U) (T2G) (T2G) (T2G) (EG)
                 (EG) (A1G)
 Beta  Orbitals:
       Occupied  (A1G) (A1G) (T1U) (T1U) (T1U) (A1G) (T1U) (T1U)
       Virtual   (T1U) (A1G) (T1U) (T1U) (T1U) (T2G) (T2G) (T2G)
                 (EG) (EG) (A1G)
 Initial guess <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7500 S= 0.5000
 Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=20699606.
 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.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density has only Abelian symmetry.
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density has only Abelian symmetry.
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density has only Abelian symmetry.
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density has only Abelian symmetry.
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density has only Abelian symmetry.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density has only Abelian symmetry.
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density has only Abelian symmetry.
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density has only Abelian symmetry.
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density has only Abelian symmetry.
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density has only Abelian symmetry.
 SCF Done:  E(UB3LYP) =  -526.936876795     A.U. after    9 cycles
            NFock=  9  Conv=0.82D-09     -V/T= 2.0029
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7517 S= 0.5009
 <L.S>=  0.00000000000    
 Annihilation of the first spin contaminant:
 S**2 before annihilation     0.7517,   after     0.7500
 SCF density gives NOpUse=  8 NOpAll= 48.

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
 Alpha Orbitals:
       Occupied  (A1G) (A1G) (T1U) (T1U) (T1U) (?A) (?B) (?B) (?B)
       Virtual   (?A) (?B) (?B) (?B) (?A) (T2G) (T2G) (T2G) (?A)
                 (A1G)
 Beta  Orbitals:
       Occupied  (A1G) (A1G) (T1U) (T1U) (T1U) (T2G) (?A) (?A)
       Virtual   (?A) (A1G) (?A) (?A) (?A) (T2G) (T2G) (T2G) (T2G)
                 (T2G) (A1G)
 Unable to determine electronic state:  an orbital has unidentified symmetry.
 Alpha  occ. eigenvalues -- -115.63752 -11.66045  -9.23521  -9.20517  -9.20517
 Alpha  occ. eigenvalues --   -1.45218  -0.93106  -0.86458  -0.86458
 Alpha virt. eigenvalues --    0.04960   0.13972   0.17039   0.17039   0.40254
 Alpha virt. eigenvalues --    0.41824   0.41824   0.47141   0.47141   3.92729
  Beta  occ. eigenvalues -- -115.62855 -11.65223  -9.20728  -9.20022  -9.20022
  Beta  occ. eigenvalues --   -1.38922  -0.84473  -0.84473
  Beta virt. eigenvalues --   -0.73835   0.06606   0.17666   0.17666   0.17977
  Beta virt. eigenvalues --    0.48216   0.48216   0.48856   0.48856   0.49953
  Beta virt. eigenvalues --    3.95386
          Condensed to atoms (all electrons):
               1
     1  Ar  17.000000
          Atomic-Atomic Spin Densities.
               1
     1  Ar   1.000000
 Mulliken charges and spin densities:
               1          2
     1  Ar   1.000000   1.000000
 Sum of Mulliken charges =   1.00000   1.00000
 Mulliken charges and spin densities with hydrogens summed into heavy atoms:
               1          2
     1  Ar   1.000000   1.000000
 Electronic spatial extent (au):  <R**2>=             20.2181
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=              0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.5850   YY=             -9.5850   ZZ=             -8.0239
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.5204   YY=             -0.5204   ZZ=              1.0408
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=              0.0000  XYY=              0.0000
  XXY=              0.0000  XXZ=              0.0000  XZZ=              0.0000  YZZ=              0.0000
  YYZ=              0.0000  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -7.5738 YYYY=             -7.5738 ZZZZ=             -5.4917 XXXY=             -0.0000
 XXXZ=              0.0000 YYYX=             -0.0000 YYYZ=             -0.0000 ZZZX=              0.0000
 ZZZY=             -0.0000 XXYY=             -2.5246 XXZZ=             -2.1775 YYZZ=             -2.1775
 XXYZ=             -0.0000 YYXZ=              0.0000 ZZXY=             -0.0000
 N-N= 0.000000000000D+00 E-N=-1.244820103122D+03  KE= 5.254074929987D+02
 Symmetry AG   KE= 3.658036587721D+02
 Symmetry B1G  KE= 1.939834530741D-35
 Symmetry B2G  KE= 1.656555314555D-35
 Symmetry B3G  KE= 2.158185179942D-35
 Symmetry AU   KE= 0.000000000000D+00
 Symmetry B1U  KE= 5.106280860994D+01
 Symmetry B2U  KE= 5.427051280836D+01
 Symmetry B3U  KE= 5.427051280836D+01
 Symmetry AG   SP=-2.867815403400D-15
 Symmetry B1G  SP=-2.041192460551D-37
 Symmetry B2G  SP= 4.585719329585D-36
 Symmetry B3G  SP= 2.194363313976D-36
 Symmetry AU   SP= 0.000000000000D+00
 Symmetry B1U  SP= 1.000000000000D+00
 Symmetry B2U  SP= 4.231681359842D-16
 Symmetry B3U  SP= 3.372297291540D-16
                          Isotropic Fermi Contact Couplings
        Atom                 a.u.       MegaHertz       Gauss      10(-4) cm-1
 --------------------------------------------------------
       Center         ----  Spin Dipole Couplings  ----
                      3XX-RR        3YY-RR        3ZZ-RR
 --------------------------------------------------------
     1   Atom       -4.426594     -4.426594      8.853188
 --------------------------------------------------------
                        XY            XZ            YZ
 --------------------------------------------------------
     1   Atom        0.000000      0.000000      0.000000
 --------------------------------------------------------


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

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


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

 Density matrix has only Abelian symmetry.
 Density matrix has only Abelian symmetry.
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 1 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       18          -0.000000000   -0.000000000   -0.000000000
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000000000 RMS     0.000000000

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 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 -- En-DIIS/RFO-DIIS
 Second derivative matrix not updated -- first step.
 The second derivative matrix:
                          X1        Y1        Z1
           X1           0.00000
           Y1           0.00000   0.00000
           Z1           0.00000   0.00000   0.00000
 ITU=  0
     Eigenvalues --- 
 RFO step:  Lambda=-8.46943124D+00 EMin=-8.46943124D+00
 Mixed    0 eigenvectors in step.  Raw Step.Grad=  0.00D+00.
 RFO eigenvector is Hessian eigenvector with negative curvature.
 Taking step of  0.00D+00 in eigenvector direction(s).  Step.Grad= -0.00D+00.
 Linear search not attempted -- first point.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1       -8.46943  -0.00000   0.00000   0.00000   0.00000  -8.46943
    Y1      -11.06644  -0.00000   0.00000   0.00000   0.00000 -11.06644
    Z1      -10.45708  -0.00000   0.00000   0.00000   0.00000 -10.45708
         Item               Value     Threshold  Converged?
 Maximum Force            0.000000     0.000450     YES
 RMS     Force            0.000000     0.000300     YES
 Maximum Displacement     0.000000     0.001800     YES
 RMS     Displacement     0.000000     0.001200     YES
 Predicted change in Energy=-0.000000D+00
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         18           0       -4.481830   -5.856110   -5.533650
 ---------------------------------------------------------------------
 Stoichiometry    Ar(1+,2)
 Framework group  OH[O(Ar)]
 Deg. of freedom     0
 Full point group                 OH      NOp  48
 Largest Abelian subgroup         D2H     NOp   8
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         18           0        0.000000    0.000000    0.000000
 ---------------------------------------------------------------------
 Standard basis: 6-31G(d) (6D, 7F)
 There are     7 symmetry adapted cartesian basis functions of AG  symmetry.
 There are     1 symmetry adapted cartesian basis functions of B1G symmetry.
 There are     1 symmetry adapted cartesian basis functions of B2G symmetry.
 There are     1 symmetry adapted cartesian basis functions of B3G symmetry.
 There are     0 symmetry adapted cartesian basis functions of AU  symmetry.
 There are     3 symmetry adapted cartesian basis functions of B1U symmetry.
 There are     3 symmetry adapted cartesian basis functions of B2U symmetry.
 There are     3 symmetry adapted cartesian basis functions of B3U symmetry.
 There are     7 symmetry adapted basis functions of AG  symmetry.
 There are     1 symmetry adapted basis functions of B1G symmetry.
 There are     1 symmetry adapted basis functions of B2G symmetry.
 There are     1 symmetry adapted basis functions of B3G symmetry.
 There are     0 symmetry adapted basis functions of AU  symmetry.
 There are     3 symmetry adapted basis functions of B1U symmetry.
 There are     3 symmetry adapted basis functions of B2U symmetry.
 There are     3 symmetry adapted basis functions of B3U symmetry.
    19 basis functions,    52 primitive gaussians,    19 cartesian basis functions
     9 alpha electrons        8 beta electrons
       nuclear repulsion energy         0.0000000000 Hartrees.
 NAtoms=    1 NActive=    1 NUniq=    1 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=    19 RedAO= T EigKep=  2.55D-02  NBF=     7     1     1     1     0     3     3     3
 NBsUse=    19 1.00D-06 EigRej= -1.00D+00 NBFU=     7     1     1     1     0     3     3     3
 Initial guess from the checkpoint file:  "/N/dc2/scratch/virgandh/Gau-41960.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:
 Alpha Orbitals:
       Occupied  (A1G) (A1G) (T1U) (T1U) (T1U) (?A) (?B) (?B) (?B)
       Virtual   (?A) (?B) (?B) (?B) (?A) (T2G) (T2G) (T2G) (?A)
                 (A1G)
 Beta  Orbitals:
       Occupied  (A1G) (A1G) (T1U) (T1U) (T1U) (T2G) (?A) (?A)
       Virtual   (?A) (A1G) (?A) (?A) (?A) (T2G) (T2G) (T2G) (T2G)
                 (T2G) (A1G)
 Initial guess <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7517 S= 0.5009
 Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=20699606.
 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.
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density has only Abelian symmetry.
 Skip diagonalization as Alpha Fock matrix is already diagonal.
 Skip diagonalization as Beta Fock matrix is already diagonal.
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density has only Abelian symmetry.
 SCF Done:  E(UB3LYP) =  -526.936876795     A.U. after    1 cycles
            NFock=  1  Conv=0.00D+00     -V/T= 2.0029
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7517 S= 0.5009
 <L.S>=  0.00000000000    
 Annihilation of the first spin contaminant:
 S**2 before annihilation     0.7517,   after     0.7500
 Density matrix has only Abelian symmetry.
 Density matrix has only Abelian symmetry.
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 1 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       18          -0.000000000   -0.000000000   -0.000000000
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000000000 RMS     0.000000000

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 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 -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorN and points    2
 The second derivative matrix:
                          X1        Y1        Z1
           X1           0.00000
           Y1           0.00000   0.00000
           Z1           0.00000   0.00000   0.00000
 ITU=  0  0
     Eigenvalues --- 
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:     2    1
 RFO step:  Lambda=-5.96046448D-09.
 RFO step:  ModMin= 1 Lambda=-5.96046448D-09 EMin= 0.00000000D+00
 Using NR instead of RFO step for point 1.
 RFO step:  ModMin= 1 Lambda=-5.96046448D-09 EMin= 0.00000000D+00
 Using NR instead of RFO step for point 2.
 DIIS inversion failure, remove point   1.
 Use linear search instead of GDIIS.
 RFO step:  Lambda=-5.96046448D-09 EMin= 0.00000000D+00
 Linear search not attempted -- rms force is less than FSwtch ( 0.00000).
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1       -8.46943  -0.00000   0.00000   0.00000   0.00000  -8.46943
    Y1      -11.06644  -0.00000   0.00000   0.00000   0.00000 -11.06644
    Z1      -10.45708  -0.00000   0.00000   0.00000   0.00000 -10.45708
         Item               Value     Threshold  Converged?
 Maximum Force            0.000000     0.000450     YES
 RMS     Force            0.000000     0.000300     YES
 Maximum Displacement     0.000000     0.001800     YES
 RMS     Displacement     0.000000     0.001200     YES
 Predicted change in Energy=-0.000000D+00
 Optimization completed.
    -- Stationary point found.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         18           0       -4.481830   -5.856110   -5.533650
 ---------------------------------------------------------------------
 Stoichiometry    Ar(1+,2)
 Framework group  OH[O(Ar)]
 Deg. of freedom     0
 Full point group                 OH      NOp  48
 Largest Abelian subgroup         D2H     NOp   8
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         18           0        0.000000    0.000000    0.000000
 ---------------------------------------------------------------------
 SCF density gives NOpUse=  8 NOpAll= 48.

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
 Alpha Orbitals:
       Occupied  (A1G) (A1G) (T1U) (T1U) (T1U) (?A) (?B) (?B) (?B)
       Virtual   (?A) (?B) (?B) (?B) (?A) (T2G) (T2G) (T2G) (?A)
                 (A1G)
 Beta  Orbitals:
       Occupied  (A1G) (A1G) (T1U) (T1U) (T1U) (T2G) (?A) (?A)
       Virtual   (?A) (A1G) (?A) (?A) (?A) (T2G) (T2G) (T2G) (T2G)
                 (T2G) (A1G)
 Unable to determine electronic state:  an orbital has unidentified symmetry.
 Alpha  occ. eigenvalues -- -115.63752 -11.66045  -9.23521  -9.20517  -9.20517
 Alpha  occ. eigenvalues --   -1.45218  -0.93106  -0.86458  -0.86458
 Alpha virt. eigenvalues --    0.04960   0.13972   0.17039   0.17039   0.40254
 Alpha virt. eigenvalues --    0.41824   0.41824   0.47141   0.47141   3.92729
  Beta  occ. eigenvalues -- -115.62855 -11.65223  -9.20728  -9.20022  -9.20022
  Beta  occ. eigenvalues --   -1.38922  -0.84473  -0.84473
  Beta virt. eigenvalues --   -0.73835   0.06606   0.17666   0.17666   0.17977
  Beta virt. eigenvalues --    0.48216   0.48216   0.48856   0.48856   0.49953
  Beta virt. eigenvalues --    3.95386
          Condensed to atoms (all electrons):
               1
     1  Ar  17.000000
          Atomic-Atomic Spin Densities.
               1
     1  Ar   1.000000
 Mulliken charges and spin densities:
               1          2
     1  Ar   1.000000   1.000000
 Sum of Mulliken charges =   1.00000   1.00000
 Mulliken charges and spin densities with hydrogens summed into heavy atoms:
               1          2
     1  Ar   1.000000   1.000000
 Electronic spatial extent (au):  <R**2>=             20.2181
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=              0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.5850   YY=             -9.5850   ZZ=             -8.0239
   XY=             -0.0000   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.5204   YY=             -0.5204   ZZ=              1.0408
   XY=             -0.0000   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=              0.0000  XYY=              0.0000
  XXY=              0.0000  XXZ=              0.0000  XZZ=              0.0000  YZZ=              0.0000
  YYZ=              0.0000  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -7.5738 YYYY=             -7.5738 ZZZZ=             -5.4917 XXXY=             -0.0000
 XXXZ=              0.0000 YYYX=             -0.0000 YYYZ=             -0.0000 ZZZX=              0.0000
 ZZZY=             -0.0000 XXYY=             -2.5246 XXZZ=             -2.1775 YYZZ=             -2.1775
 XXYZ=             -0.0000 YYXZ=              0.0000 ZZXY=             -0.0000
 N-N= 0.000000000000D+00 E-N=-1.244820103122D+03  KE= 5.254074929987D+02
 Symmetry AG   KE= 3.658036587721D+02
 Symmetry B1G  KE= 1.939834530741D-35
 Symmetry B2G  KE= 1.656555314555D-35
 Symmetry B3G  KE= 2.158185179942D-35
 Symmetry AU   KE= 0.000000000000D+00
 Symmetry B1U  KE= 5.106280860994D+01
 Symmetry B2U  KE= 5.427051280836D+01
 Symmetry B3U  KE= 5.427051280836D+01
 Symmetry AG   SP=-1.359105318072D-16
 Symmetry B1G  SP=-2.041192460551D-37
 Symmetry B2G  SP= 4.585719329585D-36
 Symmetry B3G  SP= 2.194363313976D-36
 Symmetry AU   SP= 0.000000000000D+00
 Symmetry B1U  SP= 1.000000000000D+00
 Symmetry B2U  SP=-9.780547517360D-16
 Symmetry B3U  SP=-6.806192703754D-16
                          Isotropic Fermi Contact Couplings
        Atom                 a.u.       MegaHertz       Gauss      10(-4) cm-1
 --------------------------------------------------------
       Center         ----  Spin Dipole Couplings  ----
                      3XX-RR        3YY-RR        3ZZ-RR
 --------------------------------------------------------
     1   Atom       -4.426594     -4.426594      8.853188
 --------------------------------------------------------
                        XY            XZ            YZ
 --------------------------------------------------------
     1   Atom        0.000000      0.000000      0.000000
 --------------------------------------------------------


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

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


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

 1\1\GINC-NID00356\FOpt\UB3LYP\6-31G(d)\Ar1(1+,2)\VIRGANDH\13-Feb-2020\
 0\\#n B3LYP/6-31G(d) Opt\\Ar\\1,2\Ar,-4.48183,-5.85611,-5.53365\\Versi
 on=ES64L-G16RevA.03\HF=-526.9368768\S2=0.751717\S2-1=0.\S2A=0.75\RMSD=
 0.000e+00\RMSF=0.000e+00\Dipole=0.,0.,0.\Quadrupole=0.7737729,-0.38688
 64,-0.3868864,0.,0.,0.\PG=OH [O(Ar1)]\\@


 Standing in the middle of the road is very dangerous;
 you get knocked down by the traffic from both sides.
                                -- Margaret Thatcher
 Job cpu time:       0 days  0 hours  2 minutes 41.0 seconds.
 Elapsed time:       0 days  0 hours  0 minutes 13.9 seconds.
 File lengths (MBytes):  RWF=      6 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 16 at Thu Feb 13 17:25:53 2020.
