 Entering Gaussian System, Link 0=g16
 Initial command:
 /N/soft/cle6/gaussian/g16/g16/l1.exe "/N/dc2/scratch/virgandh/Gau-41932.inp" -scrdir="/N/dc2/scratch/virgandh/"
 Entering Link 1 = /N/soft/cle6/gaussian/g16/g16/l1.exe PID=     41985.
  
 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.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 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;
 ---
 ArH
 ---
 Symbolic Z-matrix:
 Charge =  1 Multiplicity = 1
 Ar                   -4.4555   -5.27732  -5.51068 
 H                    -4.39387  -3.92269  -5.4569 
 

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3571         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         18           0       -4.455500   -5.277320   -5.510680
      2          1           0       -4.393870   -3.922690   -5.456900
 ---------------------------------------------------------------------
 Stoichiometry    ArH(1+)
 Framework group  C*V[C*(HAr)]
 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         18           0       -0.000000   -0.000000    0.071426
      2          1           0        0.000000    0.000000   -1.285671
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000         279.1431008         279.1431008
 Standard basis: 6-31G(d) (6D, 7F)
 There are    12 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     1 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     4 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     4 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    12 symmetry adapted basis functions of A1  symmetry.
 There are     1 symmetry adapted basis functions of A2  symmetry.
 There are     4 symmetry adapted basis functions of B1  symmetry.
 There are     4 symmetry adapted basis functions of B2  symmetry.
    21 basis functions,    56 primitive gaussians,    21 cartesian basis functions
     9 alpha electrons        9 beta electrons
       nuclear repulsion energy         7.0187967022 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=    21 RedAO= T EigKep=  2.54D-02  NBF=    12     1     4     4
 NBsUse=    21 1.00D-06 EigRej= -1.00D+00 NBFU=    12     1     4     4
 ExpMin= 1.61D-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:
       Occupied  (SG) (SG) (SG) (PI) (PI) (SG) (SG) (PI) (PI)
       Virtual   (SG) (SG) (PI) (PI) (SG) (SG) (PI) (PI) (DLTA)
                 (DLTA) (SG) (SG)
 The electronic state of the initial guess is 1-SG.
 Keep R1 ints in memory in symmetry-blocked form, NReq=20710310.
 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.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -527.652923920     A.U. after   10 cycles
            NFock= 10  Conv=0.52D-09     -V/T= 2.0029

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (SG) (SG) (SG) (PI) (PI) (SG) (SG) (PI) (PI)
       Virtual   (SG) (SG) (SG) (PI) (PI) (SG) (PI) (PI) (DLTA)
                 (DLTA) (SG) (SG)
 The electronic state is 1-SG.
 Alpha  occ. eigenvalues -- -115.52594 -11.55841  -9.11724  -9.10660  -9.10660
 Alpha  occ. eigenvalues --   -1.38689  -0.91739  -0.79892  -0.79892
 Alpha virt. eigenvalues --   -0.38822   0.13371   0.20209   0.20282   0.20282
 Alpha virt. eigenvalues --    0.34354   0.51084   0.51084   0.54074   0.54074
 Alpha virt. eigenvalues --    0.77740   4.04786
          Condensed to atoms (all electrons):
               1          2
     1  Ar  17.309180   0.205966
     2  H    0.205966   0.278887
 Mulliken charges:
               1
     1  Ar   0.484854
     2  H    0.515146
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  Ar   1.000000
 Electronic spatial extent (au):  <R**2>=             26.2465
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=             -2.5443  Tot=              2.5443
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -10.6581   YY=            -10.6581   ZZ=             -5.6057
   XY=             -0.0000   XZ=             -0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.6841   YY=             -1.6841   ZZ=              3.3683
   XY=             -0.0000   XZ=             -0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.0000  YYY=              0.0000  ZZZ=             -6.0287  XYY=             -0.0000
  XXY=              0.0000  XXZ=             -0.2324  XZZ=             -0.0000  YZZ=              0.0000
  YYZ=             -0.2324  XYZ=             -0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -8.7149 YYYY=             -8.7149 ZZZZ=             -3.2666 XXXY=             -0.0000
 XXXZ=             -0.0000 YYYX=             -0.0000 YYYZ=              0.0000 ZZZX=             -0.0000
 ZZZY=              0.0000 XXYY=             -2.9050 XXZZ=             -3.3142 YYZZ=             -3.3142
 XXYZ=              0.0000 YYXZ=             -0.0000 ZZXY=             -0.0000
 N-N= 7.018796702181D+00 E-N=-1.261181591988D+03  KE= 5.261412939026D+02
 Symmetry A1   KE= 4.181257570307D+02
 Symmetry A2   KE= 1.430008361711D-32
 Symmetry B1   KE= 5.400776843593D+01
 Symmetry B2   KE= 5.400776843593D+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       18           0.001157738    0.025447139    0.001010274
      2        1          -0.001157738   -0.025447139   -0.001010274
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.025447139 RMS     0.014718672

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.025493488 RMS     0.025493488
 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           0.25100
 ITU=  0
     Eigenvalues ---    0.25100
 RFO step:  Lambda=-2.56311951D-03 EMin= 2.51002083D-01
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.07109263 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 1.78D-15 for atom     1.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.56454  -0.02549   0.00000  -0.10054  -0.10054   2.46400
         Item               Value     Threshold  Converged?
 Maximum Force            0.025493     0.000450     NO 
 RMS     Force            0.025493     0.000300     NO 
 Maximum Displacement     0.050179     0.001800     NO 
 RMS     Displacement     0.071093     0.001200     NO 
 Predicted change in Energy=-1.294514D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         18           0       -4.454292   -5.250767   -5.509626
      2          1           0       -4.395078   -3.949243   -5.457954
 ---------------------------------------------------------------------
 Stoichiometry    ArH(1+)
 Framework group  C*V[C*(HAr)]
 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         18           0        0.000000   -0.000000    0.068626
      2          1           0       -0.000000    0.000000   -1.235268
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000         302.3879460         302.3879460
 Standard basis: 6-31G(d) (6D, 7F)
 There are    12 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     1 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     4 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     4 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    12 symmetry adapted basis functions of A1  symmetry.
 There are     1 symmetry adapted basis functions of A2  symmetry.
 There are     4 symmetry adapted basis functions of B1  symmetry.
 There are     4 symmetry adapted basis functions of B2  symmetry.
    21 basis functions,    56 primitive gaussians,    21 cartesian basis functions
     9 alpha electrons        9 beta electrons
       nuclear repulsion energy         7.3051889190 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=    21 RedAO= T EigKep=  2.54D-02  NBF=    12     1     4     4
 NBsUse=    21 1.00D-06 EigRej= -1.00D+00 NBFU=    12     1     4     4
 Initial guess from the checkpoint file:  "/N/dc2/scratch/virgandh/Gau-41985.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) (PI) (PI) (SG) (SG) (PI) (PI)
       Virtual   (SG) (SG) (SG) (PI) (PI) (SG) (PI) (PI) (DLTA)
                 (DLTA) (SG) (SG)
 ExpMin= 1.61D-01 ExpMax= 2.83D+04 ExpMxC= 4.26D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Keep R1 ints in memory in symmetry-blocked form, NReq=20710310.
 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.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -527.654506600     A.U. after    9 cycles
            NFock=  9  Conv=0.23D-08     -V/T= 2.0028
 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       18           0.000214628    0.004717542    0.000187291
      2        1          -0.000214628   -0.004717542   -0.000187291
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004717542 RMS     0.002728635

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.004726135 RMS     0.004726135
 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= -1.58D-03 DEPred=-1.29D-03 R= 1.22D+00
 TightC=F SS=  1.41D+00  RLast= 1.01D-01 DXNew= 5.0454D-01 3.0162D-01
 Trust test= 1.22D+00 RLast= 1.01D-01 DXMaxT set to 3.02D-01
 The second derivative matrix:
                          R1
           R1           0.20656
 ITU=  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.20656
 RFO step:  Lambda= 0.00000000D+00 EMin= 2.06557774D-01
 Quartic linear search produced a step of  0.18569.
 Iteration  1 RMS(Cart)=  0.01320139 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 2.51D-15 for atom     1.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.46400  -0.00473  -0.01867   0.00000  -0.01867   2.44533
         Item               Value     Threshold  Converged?
 Maximum Force            0.004726     0.000450     NO 
 RMS     Force            0.004726     0.000300     NO 
 Maximum Displacement     0.009318     0.001800     NO 
 RMS     Displacement     0.013201     0.001200     NO 
 Predicted change in Energy=-5.223677D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         18           0       -4.454068   -5.245836   -5.509430
      2          1           0       -4.395302   -3.954174   -5.458150
 ---------------------------------------------------------------------
 Stoichiometry    ArH(1+)
 Framework group  C*V[C*(HAr)]
 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         18           0       -0.000000   -0.000000    0.068106
      2          1           0        0.000000    0.000000   -1.225908
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000         307.0229073         307.0229073
 Standard basis: 6-31G(d) (6D, 7F)
 There are    12 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     1 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     4 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     4 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    12 symmetry adapted basis functions of A1  symmetry.
 There are     1 symmetry adapted basis functions of A2  symmetry.
 There are     4 symmetry adapted basis functions of B1  symmetry.
 There are     4 symmetry adapted basis functions of B2  symmetry.
    21 basis functions,    56 primitive gaussians,    21 cartesian basis functions
     9 alpha electrons        9 beta electrons
       nuclear repulsion energy         7.3609624793 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=    21 RedAO= T EigKep=  2.54D-02  NBF=    12     1     4     4
 NBsUse=    21 1.00D-06 EigRej= -1.00D+00 NBFU=    12     1     4     4
 Initial guess from the checkpoint file:  "/N/dc2/scratch/virgandh/Gau-41985.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) (PI) (PI) (SG) (SG) (PI) (PI)
       Virtual   (SG) (SG) (SG) (PI) (PI) (SG) (PI) (PI) (DLTA)
                 (DLTA) (SG) (SG)
 Keep R1 ints in memory in symmetry-blocked form, NReq=20710310.
 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) =  -527.654551102     A.U. after    7 cycles
            NFock=  7  Conv=0.14D-08     -V/T= 2.0027
 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       18          -0.000000378   -0.000008306   -0.000000330
      2        1           0.000000378    0.000008306    0.000000330
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000008306 RMS     0.000004804

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000008321 RMS     0.000008321
 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 -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    2    3
 DE= -4.45D-05 DEPred=-5.22D-05 R= 8.52D-01
 TightC=F SS=  1.41D+00  RLast= 1.87D-02 DXNew= 5.0726D-01 5.6009D-02
 Trust test= 8.52D-01 RLast= 1.87D-02 DXMaxT set to 3.02D-01
 The second derivative matrix:
                          R1
           R1           0.25359
 ITU=  1  1
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.25359
 RFO step:  Lambda= 0.00000000D+00 EMin= 2.53591838D-01
 Quartic linear search produced a step of -0.00170.
 Iteration  1 RMS(Cart)=  0.00002249 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 1.78D-15 for atom     1.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.44533   0.00001   0.00003   0.00000   0.00003   2.44536
         Item               Value     Threshold  Converged?
 Maximum Force            0.000008     0.000450     YES
 RMS     Force            0.000008     0.000300     YES
 Maximum Displacement     0.000016     0.001800     YES
 RMS     Displacement     0.000022     0.001200     YES
 Predicted change in Energy=-1.363997D-10
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.294          -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         18           0       -4.454068   -5.245836   -5.509430
      2          1           0       -4.395302   -3.954174   -5.458150
 ---------------------------------------------------------------------
 Stoichiometry    ArH(1+)
 Framework group  C*V[C*(HAr)]
 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         18           0       -0.000000   -0.000000    0.068106
      2          1           0        0.000000    0.000000   -1.225908
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000         307.0229073         307.0229073

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (SG) (SG) (SG) (PI) (PI) (SG) (SG) (PI) (PI)
       Virtual   (SG) (SG) (SG) (PI) (PI) (SG) (PI) (PI) (DLTA)
                 (DLTA) (SG) (SG)
 The electronic state is 1-SG.
 Alpha  occ. eigenvalues -- -115.53019 -11.56365  -9.12248  -9.11170  -9.11170
 Alpha  occ. eigenvalues --   -1.39914  -0.93286  -0.80468  -0.80468
 Alpha virt. eigenvalues --   -0.36436   0.12276   0.17900   0.19954   0.19954
 Alpha virt. eigenvalues --    0.35633   0.50273   0.50273   0.53495   0.53495
 Alpha virt. eigenvalues --    0.82622   4.04732
          Condensed to atoms (all electrons):
               1          2
     1  Ar  17.281157   0.216608
     2  H    0.216608   0.285626
 Mulliken charges:
               1
     1  Ar   0.502235
     2  H    0.497765
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  Ar   1.000000
 Electronic spatial extent (au):  <R**2>=             25.8865
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=             -0.0000    Z=             -2.3308  Tot=              2.3308
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -10.5897   YY=            -10.5897   ZZ=             -6.0194
   XY=             -0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.5234   YY=             -1.5234   ZZ=              3.0469
   XY=             -0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=             -5.1379  XYY=              0.0000
  XXY=              0.0000  XXZ=             -0.2496  XZZ=              0.0000  YZZ=              0.0000
  YYZ=             -0.2496  XYZ=             -0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -8.6120 YYYY=             -8.6120 ZZZZ=             -4.2425 XXXY=             -0.0000
 XXXZ=              0.0000 YYYX=             -0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -2.8707 XXZZ=             -3.2013 YYZZ=             -3.2013
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=             -0.0000
 N-N= 7.360962479306D+00 E-N=-1.261800507719D+03  KE= 5.262100370614D+02
 Symmetry A1   KE= 4.181690533849D+02
 Symmetry A2   KE= 2.097251788769D-34
 Symmetry B1   KE= 5.402049183824D+01
 Symmetry B2   KE= 5.402049183824D+01
 1\1\GINC-NID00356\FOpt\RB3LYP\6-31G(d)\Ar1H1(1+)\VIRGANDH\13-Feb-2020\
 0\\#n B3LYP/6-31G(d) Opt\\ArH\\1,1\Ar,-4.4540676006,-5.2458358002,-5.5
 094300496\H,-4.3953023994,-3.9541741998,-5.4581499504\\Version=ES64L-G
 16RevA.03\State=1-SG\HF=-527.6545511\RMSD=1.365e-09\RMSF=4.804e-06\Dip
 ole=0.0416443,0.9153426,0.0363399\Quadrupole=-1.1256255,2.2529225,-1.1
 27297,0.1540286,0.0061151,0.1344095\PG=C*V [C*(H1Ar1)]\\@


 PERICLES, SOPHOCLES,
 PELOPONESIAN WAR,
 FRENCH VERBS, LATIN VERBS
 H2SO4.
 Job cpu time:       0 days  0 hours  3 minutes 53.1 seconds.
 Elapsed time:       0 days  0 hours  0 minutes 17.3 seconds.
 File lengths (MBytes):  RWF=      6 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 16 at Thu Feb 13 17:26:56 2020.
