Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16
 Initial command:
 /share/apps/gaussian/g16/l1.exe "/scratch/webmo-1704971/395300/Gau-1006652.inp" -scrdir="/scratch/webmo-1704971/395300/"
 Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID=   1006654.
  
 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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 Warning -- This program may not be used in any manner that
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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
                24-Jul-2026 
 ******************************************
 %NProcShared=16
 Will use up to   16 processors via shared memory.
 %Mem=88GB
 ---------------------------------------------------------
 #N B3LYP/6-311+G(2d,p) OPT FREQ EmpiricalDispersion=GD3BJ
 ---------------------------------------------------------
 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=4,6=6,7=112,11=2,25=1,30=1,71=1,74=-5,124=41/1,2,3;
 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=-5,124=41/1,2,3;
 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;
 ----------
 HeAr dimer
 ----------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 He
 Ar                   1    B1
       Variables:
  B1                    2.9074                   
 
 Add virtual bond connecting atoms Ar2        and He1        Dist= 5.49D+00.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  2.9074         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          2           0        0.000000    0.000000    0.000000
      2         18           0        0.000000    0.000000    2.907398
 ---------------------------------------------------------------------
 Stoichiometry    ArHe
 Framework group  C*V[C*(HeAr)]
 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          2           0        0.000000    0.000000   -2.616658
      2         18           0        0.000000    0.000000    0.290740
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          16.4331661          16.4331661
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    23 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     2 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     9 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     9 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    21 symmetry adapted basis functions of A1  symmetry.
 There are     2 symmetry adapted basis functions of A2  symmetry.
 There are     9 symmetry adapted basis functions of B1  symmetry.
 There are     9 symmetry adapted basis functions of B2  symmetry.
    41 basis functions,    67 primitive gaussians,    43 cartesian basis functions
    10 alpha electrons       10 beta electrons
       nuclear repulsion energy         6.5523810614 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.
 Nuclear repulsion after empirical dispersion term =        6.5521247317 Hartrees.
 One-electron integrals computed using PRISM.
 NBasis=    41 RedAO= T EigKep=  2.96D-02  NBF=    21     2     9     9
 NBsUse=    41 1.00D-06 EigRej= -1.00D+00 NBFU=    21     2     9     9
 ExpMin= 6.00D-02 ExpMax= 1.18D+05 ExpMxC= 4.03D+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) (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG)
       Virtual   (SG) (PI) (PI) (SG) (SG) (PI) (PI) (DLTA) (DLTA)
                 (SG) (PI) (PI) (SG) (SG) (PI) (PI) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (SG) (PI)
                 (PI) (SG) (SG)
 The electronic state of the initial guess is 1-SG.
 Keep R1 ints in memory in symmetry-blocked form, NReq=14206219.
 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) =  -530.466758488     A.U. after   10 cycles
            NFock= 10  Conv=0.25D-08     -V/T= 2.0028

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

            Population analysis using the SCF Density.

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

 Orbital symmetries:
       Occupied  (SG) (SG) (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG)
       Virtual   (SG) (PI) (PI) (SG) (SG) (PI) (PI) (DLTA) (DLTA)
                 (SG) (PI) (PI) (SG) (SG) (PI) (PI) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (SG) (PI)
                 (PI) (SG) (SG)
 The electronic state is 1-SG.
 Alpha  occ. eigenvalues -- -115.12418 -11.14481  -8.69736  -8.69736  -8.69730
 Alpha  occ. eigenvalues --   -0.97037  -0.66015  -0.42855  -0.42855  -0.42800
 Alpha virt. eigenvalues --    0.04588   0.08784   0.08784   0.10428   0.47036
 Alpha virt. eigenvalues --    0.48145   0.48145   0.48147   0.48147   0.54516
 Alpha virt. eigenvalues --    0.55441   0.55441   0.72021   0.99177   1.24197
 Alpha virt. eigenvalues --    1.24197   1.27518   2.38414   2.38414   2.40067
 Alpha virt. eigenvalues --    2.52439   2.52439   2.52444   2.52444   2.53133
 Alpha virt. eigenvalues --    5.80961  10.61504  13.41054  13.41054  13.42232
 Alpha virt. eigenvalues --  243.33755
          Condensed to atoms (all electrons):
               1          2
     1  He   1.986781   0.004826
     2  Ar   0.004826  18.003567
 Mulliken charges:
               1
     1  He   0.008393
     2  Ar  -0.008393
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  He   0.008393
     2  Ar  -0.008393
 Electronic spatial extent (au):  <R**2>=             82.9124
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=             -0.0414  Tot=              0.0414
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -12.8451   YY=            -12.8451   ZZ=            -12.7475
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0325   YY=             -0.0325   ZZ=              0.0651
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=             -2.0787  XYY=              0.0000
  XXY=              0.0000  XXZ=             -0.5905  XZZ=              0.0000  YZZ=              0.0000
  YYZ=             -0.5905  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -11.9740 YYYY=            -11.9740 ZZZZ=            -61.3879 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -3.9913 XXZZ=            -12.3817 YYZZ=            -12.3817
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 6.552124731726D+00 E-N=-1.274189188294D+03  KE= 5.289903989644D+02
 Symmetry A1   KE= 4.219551848128D+02
 Symmetry A2   KE=-1.177031035352D-54
 Symmetry B1   KE= 5.351760707580D+01
 Symmetry B2   KE= 5.351760707580D+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        2          -0.000000000   -0.000000000   -0.001079628
      2       18          -0.000000000   -0.000000000    0.001079628
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001079628 RMS     0.000623323

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001079628 RMS     0.001079628
 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           0.01535
 ITU=  0
     Eigenvalues ---    0.01535
 RFO step:  Lambda=-7.55677049D-05 EMin= 1.53489629D-02
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.04949338 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 4.44D-16 for atom     1.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        5.49419   0.00108   0.00000   0.06999   0.06999   5.56418
         Item               Value     Threshold  Converged?
 Maximum Force            0.001080     0.000450     NO 
 RMS     Force            0.001080     0.000300     NO 
 Maximum Displacement     0.034997     0.001800     NO 
 RMS     Displacement     0.049493     0.001200     NO 
 Predicted change in Energy=-3.796896D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          2           0        0.000000    0.000000   -0.018520
      2         18           0        0.000000    0.000000    2.925918
 ---------------------------------------------------------------------
 Stoichiometry    ArHe
 Framework group  C*V[C*(HeAr)]
 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          2           0        0.000000    0.000000   -2.649994
      2         18           0        0.000000    0.000000    0.294444
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          16.0223268          16.0223268
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    23 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     2 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     9 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     9 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    21 symmetry adapted basis functions of A1  symmetry.
 There are     2 symmetry adapted basis functions of A2  symmetry.
 There are     9 symmetry adapted basis functions of B1  symmetry.
 There are     9 symmetry adapted basis functions of B2  symmetry.
    41 basis functions,    67 primitive gaussians,    43 cartesian basis functions
    10 alpha electrons       10 beta electrons
       nuclear repulsion energy         6.4699558442 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.
 Nuclear repulsion after empirical dispersion term =        6.4697073663 Hartrees.
 One-electron integrals computed using PRISM.
 NBasis=    41 RedAO= T EigKep=  2.96D-02  NBF=    21     2     9     9
 NBsUse=    41 1.00D-06 EigRej= -1.00D+00 NBFU=    21     2     9     9
 Initial guess from the checkpoint file:  "/scratch/webmo-1704971/395300/Gau-1006654.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) (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG)
       Virtual   (SG) (PI) (PI) (SG) (SG) (PI) (PI) (DLTA) (DLTA)
                 (SG) (PI) (PI) (SG) (SG) (PI) (PI) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (SG) (PI)
                 (PI) (SG) (SG)
 ExpMin= 6.00D-02 ExpMax= 1.18D+05 ExpMxC= 4.03D+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=14206219.
 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) =  -530.466826977     A.U. after    7 cycles
            NFock=  7  Conv=0.19D-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        2          -0.000000000   -0.000000000   -0.000882848
      2       18          -0.000000000   -0.000000000    0.000882848
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000882848 RMS     0.000509713

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000882848 RMS     0.000882848
 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
 Update second derivatives using D2CorX and points    1    2
 DE= -6.85D-05 DEPred=-3.80D-05 R= 1.80D+00
 TightC=F SS=  1.41D+00  RLast= 7.00D-02 DXNew= 5.0454D-01 2.0998D-01
 Trust test= 1.80D+00 RLast= 7.00D-02 DXMaxT set to 3.00D-01
 The second derivative matrix:
                          R1
           R1           0.00281
 ITU=  1  0
 Use linear search instead of GDIIS.
 Linear search step of   1.326 exceeds DXMaxT=   0.300 scaled by   0.452
 Quartic linear search produced a step of  8.57214.
 Iteration  1 RMS(Cart)=  0.14142136 RMS(Int)=  0.40000000
 Iteration  2 RMS(Cart)=  0.14142136 RMS(Int)=  0.20000000
 Iteration  3 RMS(Cart)=  0.14142136 RMS(Int)=  0.00000000
 Iteration  4 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        5.56418   0.00088   0.60000   0.00000   0.60000   6.16418
         Item               Value     Threshold  Converged?
 Maximum Force            0.000883     0.000450     NO 
 RMS     Force            0.000883     0.000300     NO 
 Maximum Displacement     0.300000     0.001800     NO 
 RMS     Displacement     0.424264     0.001200     NO 
 Predicted change in Energy=-2.366300D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          2           0        0.000000    0.000000   -0.177273
      2         18           0        0.000000    0.000000    3.084671
 ---------------------------------------------------------------------
 Stoichiometry    ArHe
 Framework group  C*V[C*(HeAr)]
 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          2           0        0.000000    0.000000   -2.935749
      2         18           0        0.000000    0.000000    0.326194
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          13.0550129          13.0550129
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    23 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     2 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     9 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     9 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    21 symmetry adapted basis functions of A1  symmetry.
 There are     2 symmetry adapted basis functions of A2  symmetry.
 There are     9 symmetry adapted basis functions of B1  symmetry.
 There are     9 symmetry adapted basis functions of B2  symmetry.
    41 basis functions,    67 primitive gaussians,    43 cartesian basis functions
    10 alpha electrons       10 beta electrons
       nuclear repulsion energy         5.8401926964 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.
 Nuclear repulsion after empirical dispersion term =        5.8400124263 Hartrees.
 One-electron integrals computed using PRISM.
 NBasis=    41 RedAO= T EigKep=  2.97D-02  NBF=    21     2     9     9
 NBsUse=    41 1.00D-06 EigRej= -1.00D+00 NBFU=    21     2     9     9
 Initial guess from the checkpoint file:  "/scratch/webmo-1704971/395300/Gau-1006654.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) (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG)
       Virtual   (SG) (PI) (PI) (SG) (SG) (PI) (PI) (DLTA) (DLTA)
                 (SG) (PI) (PI) (SG) (SG) (PI) (PI) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (SG) (PI)
                 (PI) (SG) (SG)
 ExpMin= 6.00D-02 ExpMax= 1.18D+05 ExpMxC= 4.03D+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=14206219.
 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) =  -530.467063719     A.U. after    7 cycles
            NFock=  7  Conv=0.99D-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        2          -0.000000000   -0.000000000   -0.000081318
      2       18          -0.000000000   -0.000000000    0.000081318
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000081318 RMS     0.000046949

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000081318 RMS     0.000081318
 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
 Swapping is turned off.
 Update second derivatives using D2CorX and points    2    3
 The second derivative matrix:
                          R1
           R1           0.00134
 ITU=  0  1
     Eigenvalues ---    0.00134
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:     3    2
 RFO step:  Lambda=-4.93179010D-06.
 DidBck=F Rises=F RFO-DIIS coefs:    1.10145   -0.10145
 Iteration  1 RMS(Cart)=  0.04304306 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        6.16418   0.00008   0.06087  -0.00000   0.06087   6.22505
         Item               Value     Threshold  Converged?
 Maximum Force            0.000081     0.000450     YES
 RMS     Force            0.000081     0.000300     YES
 Maximum Displacement     0.030436     0.001800     NO 
 RMS     Displacement     0.043043     0.001200     NO 
 Predicted change in Energy=-2.474999D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          2           0        0.000000    0.000000   -0.193379
      2         18           0        0.000000    0.000000    3.100777
 ---------------------------------------------------------------------
 Stoichiometry    ArHe
 Framework group  C*V[C*(HeAr)]
 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          2           0        0.000000    0.000000   -2.964740
      2         18           0        0.000000    0.000000    0.329416
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          12.8009427          12.8009427
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    23 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     2 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     9 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     9 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    21 symmetry adapted basis functions of A1  symmetry.
 There are     2 symmetry adapted basis functions of A2  symmetry.
 There are     9 symmetry adapted basis functions of B1  symmetry.
 There are     9 symmetry adapted basis functions of B2  symmetry.
    41 basis functions,    67 primitive gaussians,    43 cartesian basis functions
    10 alpha electrons       10 beta electrons
       nuclear repulsion energy         5.7830839969 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.
 Nuclear repulsion after empirical dispersion term =        5.7829103421 Hartrees.
 One-electron integrals computed using PRISM.
 NBasis=    41 RedAO= T EigKep=  2.97D-02  NBF=    21     2     9     9
 NBsUse=    41 1.00D-06 EigRej= -1.00D+00 NBFU=    21     2     9     9
 Initial guess from the checkpoint file:  "/scratch/webmo-1704971/395300/Gau-1006654.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) (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG)
       Virtual   (SG) (PI) (PI) (SG) (SG) (DLTA) (DLTA) (PI) (PI)
                 (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (SG) (PI)
                 (PI) (SG) (SG)
 ExpMin= 6.00D-02 ExpMax= 1.18D+05 ExpMxC= 4.03D+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=14206219.
 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) =  -530.467067859     A.U. after    7 cycles
            NFock=  7  Conv=0.60D-09     -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        2          -0.000000000   -0.000000000   -0.000056457
      2       18          -0.000000000   -0.000000000    0.000056457
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000056457 RMS     0.000032596

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000056457 RMS     0.000056457
 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 -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    3    4
 DE= -4.14D-06 DEPred=-2.47D-06 R= 1.67D+00
 TightC=F SS=  1.41D+00  RLast= 6.09D-02 DXNew= 5.0454D-01 1.8262D-01
 Trust test= 1.67D+00 RLast= 6.09D-02 DXMaxT set to 3.00D-01
 The second derivative matrix:
                          R1
           R1           0.00041
 ITU=  1  0
     Eigenvalues ---    0.00041
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:     4    3
 RFO step:  Lambda=-7.66069196D-06.
 DidBck=F Rises=F RFO-DIIS coefs:    3.00000   -2.00000
 Iteration  1 RMS(Cart)=  0.09753263 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 4.44D-16 for atom     1.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.22505   0.00006   0.12174   0.01619   0.13793   6.36298
         Item               Value     Threshold  Converged?
 Maximum Force            0.000056     0.000450     YES
 RMS     Force            0.000056     0.000300     YES
 Maximum Displacement     0.068966     0.001800     NO 
 RMS     Displacement     0.097533     0.001200     NO 
 Predicted change in Energy=-3.902174D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          2           0        0.000000    0.000000   -0.229874
      2         18           0        0.000000    0.000000    3.137272
 ---------------------------------------------------------------------
 Stoichiometry    ArHe
 Framework group  C*V[C*(HeAr)]
 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          2           0        0.000000    0.000000   -3.030432
      2         18           0        0.000000    0.000000    0.336715
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          12.2519795          12.2519795
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    23 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     2 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     9 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     9 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    21 symmetry adapted basis functions of A1  symmetry.
 There are     2 symmetry adapted basis functions of A2  symmetry.
 There are     9 symmetry adapted basis functions of B1  symmetry.
 There are     9 symmetry adapted basis functions of B2  symmetry.
    41 basis functions,    67 primitive gaussians,    43 cartesian basis functions
    10 alpha electrons       10 beta electrons
       nuclear repulsion energy         5.6577226640 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.
 Nuclear repulsion after empirical dispersion term =        5.6575635448 Hartrees.
 One-electron integrals computed using PRISM.
 NBasis=    41 RedAO= T EigKep=  2.97D-02  NBF=    21     2     9     9
 NBsUse=    41 1.00D-06 EigRej= -1.00D+00 NBFU=    21     2     9     9
 Initial guess from the checkpoint file:  "/scratch/webmo-1704971/395300/Gau-1006654.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) (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG)
       Virtual   (SG) (PI) (PI) (SG) (SG) (DLTA) (DLTA) (PI) (PI)
                 (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (SG) (PI)
                 (PI) (SG) (SG)
 ExpMin= 6.00D-02 ExpMax= 1.18D+05 ExpMxC= 4.03D+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=14206219.
 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) =  -530.467073245     A.U. after    7 cycles
            NFock=  7  Conv=0.13D-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        2          -0.000000000   -0.000000000   -0.000024787
      2       18          -0.000000000   -0.000000000    0.000024787
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000024787 RMS     0.000014311

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000024787 RMS     0.000024787
 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
 Swapping is turned off.
 Update second derivatives using D2CorX and points    4    5
 DE= -5.39D-06 DEPred=-3.90D-06 R= 1.38D+00
 TightC=F SS=  1.41D+00  RLast= 1.38D-01 DXNew= 5.0454D-01 4.1380D-01
 Trust test= 1.38D+00 RLast= 1.38D-01 DXMaxT set to 4.14D-01
 The second derivative matrix:
                          R1
           R1           0.00023
 ITU=  1  1
     Eigenvalues ---    0.00023
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:     5    4
 RFO step:  Lambda=-2.64548438D-06.
 DidBck=F Rises=F RFO-DIIS coefs:    1.78268   -0.78268
 Iteration  1 RMS(Cart)=  0.07633703 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        6.36298   0.00002   0.10796   0.00000   0.10796   6.47094
         Item               Value     Threshold  Converged?
 Maximum Force            0.000025     0.000450     YES
 RMS     Force            0.000025     0.000300     YES
 Maximum Displacement     0.053978     0.001800     NO 
 RMS     Displacement     0.076337     0.001200     NO 
 Predicted change in Energy=-1.337983D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          2           0        0.000000    0.000000   -0.258438
      2         18           0        0.000000    0.000000    3.165836
 ---------------------------------------------------------------------
 Stoichiometry    ArHe
 Framework group  C*V[C*(HeAr)]
 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          2           0        0.000000    0.000000   -3.081847
      2         18           0        0.000000    0.000000    0.342427
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          11.8465819          11.8465819
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    23 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     2 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     9 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     9 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    21 symmetry adapted basis functions of A1  symmetry.
 There are     2 symmetry adapted basis functions of A2  symmetry.
 There are     9 symmetry adapted basis functions of B1  symmetry.
 There are     9 symmetry adapted basis functions of B2  symmetry.
    41 basis functions,    67 primitive gaussians,    43 cartesian basis functions
    10 alpha electrons       10 beta electrons
       nuclear repulsion energy         5.5633329906 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.
 Nuclear repulsion after empirical dispersion term =        5.5631847444 Hartrees.
 One-electron integrals computed using PRISM.
 NBasis=    41 RedAO= T EigKep=  2.97D-02  NBF=    21     2     9     9
 NBsUse=    41 1.00D-06 EigRej= -1.00D+00 NBFU=    21     2     9     9
 Initial guess from the checkpoint file:  "/scratch/webmo-1704971/395300/Gau-1006654.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) (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG)
       Virtual   (SG) (PI) (PI) (SG) (SG) (DLTA) (DLTA) (PI) (PI)
                 (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (SG) (PI)
                 (PI) (SG) (SG)
 ExpMin= 6.00D-02 ExpMax= 1.18D+05 ExpMxC= 4.03D+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=14206219.
 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) =  -530.467074707     A.U. after    7 cycles
            NFock=  7  Conv=0.15D-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        2          -0.000000000   -0.000000000   -0.000000875
      2       18          -0.000000000   -0.000000000    0.000000875
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000000875 RMS     0.000000505

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000000875 RMS     0.000000875
 Search for a local minimum.
 Step number   6 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 D2CorX and points    5    6
 DE= -1.46D-06 DEPred=-1.34D-06 R= 1.09D+00
 TightC=F SS=  1.41D+00  RLast= 1.08D-01 DXNew= 6.9592D-01 3.2387D-01
 Trust test= 1.09D+00 RLast= 1.08D-01 DXMaxT set to 4.14D-01
 The second derivative matrix:
                          R1
           R1           0.00022
 ITU=  1  1
     Eigenvalues ---    0.00022
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:     6    5
 RFO step:  Lambda=-3.46048329D-09.
 DidBck=F Rises=F RFO-DIIS coefs:    1.03661   -0.03661
 Iteration  1 RMS(Cart)=  0.00279496 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        6.47094   0.00000   0.00395   0.00000   0.00395   6.47489
         Item               Value     Threshold  Converged?
 Maximum Force            0.000001     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.001976     0.001800     NO 
 RMS     Displacement     0.002795     0.001200     NO 
 Predicted change in Energy=-1.730269D-09
 Optimization completed on the basis of negligible forces.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  3.4243         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          2           0        0.000000    0.000000   -0.258438
      2         18           0        0.000000    0.000000    3.165836
 ---------------------------------------------------------------------
 Stoichiometry    ArHe
 Framework group  C*V[C*(HeAr)]
 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          2           0        0.000000    0.000000   -3.081847
      2         18           0        0.000000    0.000000    0.342427
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          11.8465819          11.8465819

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

            Population analysis using the SCF Density.

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

 Orbital symmetries:
       Occupied  (SG) (SG) (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG)
       Virtual   (SG) (PI) (PI) (SG) (SG) (DLTA) (DLTA) (PI) (PI)
                 (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (SG) (PI)
                 (PI) (SG) (SG)
 The electronic state is 1-SG.
 Alpha  occ. eigenvalues -- -115.12493 -11.14549  -8.69803  -8.69803  -8.69802
 Alpha  occ. eigenvalues --   -0.97079  -0.65905  -0.42896  -0.42896  -0.42887
 Alpha virt. eigenvalues --    0.04331   0.08855   0.08855   0.09628   0.47972
 Alpha virt. eigenvalues --    0.48109   0.48109   0.48110   0.48110   0.55421
 Alpha virt. eigenvalues --    0.55421   0.55974   0.68329   0.99016   1.24062
 Alpha virt. eigenvalues --    1.24062   1.26372   2.38395   2.38395   2.38961
 Alpha virt. eigenvalues --    2.52390   2.52391   2.52392   2.52392   2.52437
 Alpha virt. eigenvalues --    5.78042  10.61385  13.41013  13.41013  13.41966
 Alpha virt. eigenvalues --  243.33535
          Condensed to atoms (all electrons):
               1          2
     1  He   1.991248   0.004092
     2  Ar   0.004092  18.000567
 Mulliken charges:
               1
     1  He   0.004660
     2  Ar  -0.004660
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  He   0.004660
     2  Ar  -0.004660
 Electronic spatial extent (au):  <R**2>=            103.9445
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=             -0.0207  Tot=              0.0207
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -12.8407   YY=            -12.8407   ZZ=            -12.7503
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0301   YY=             -0.0301   ZZ=              0.0602
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=             -2.4432  XYY=              0.0000
  XXY=              0.0000  XXZ=             -0.6905  XZZ=              0.0000  YZZ=              0.0000
  YYZ=             -0.6905  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -11.9575 YYYY=            -11.9575 ZZZZ=            -80.4177 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -3.9858 XXZZ=            -15.6264 YYZZ=            -15.6264
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 5.563184744400D+00 E-N=-1.272198459519D+03  KE= 5.289852350396D+02
 Symmetry A1   KE= 4.219451855777D+02
 Symmetry A2   KE= 1.388922573379D-54
 Symmetry B1   KE= 5.352002473098D+01
 Symmetry B2   KE= 5.352002473098D+01
 B after Tr=     0.000000    0.000000   -0.390702
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Final structure in terms of initial Z-matrix:
 He
 Ar,1,B1
      Variables:
 B1=3.42427455
 Unable to Open any file for archive entry.
 1\1\GINC-COMPUTE-0-1\FOpt\RB3LYP\6-311+G(2d,p)\Ar1He1\ESSELMAN\24-Jul-
 2026\0\\#N B3LYP/6-311+G(2d,p) OPT FREQ EmpiricalDispersion=GD3BJ\\HeA
 r dimer\\0,1\He,0.,0.,-0.2584382768\Ar,0.,0.,3.1658362768\\Version=ES6
 4L-G16RevC.01\State=1-SG\HF=-530.4670747\RMSD=1.478e-09\RMSF=5.055e-07
 \Dipole=0.,0.,-0.0081394\Quadrupole=-0.0223952,-0.0223952,0.0447904,0.
 ,0.,0.\PG=C*V [C*(He1Ar1)]\\@
 The archive entry for this job was punched.


 In the race for quality, there is no finish line.
                               -- David T. Kearns
 Job cpu time:       0 days  0 hours  1 minutes 53.3 seconds.
 Elapsed time:       0 days  0 hours  0 minutes  9.6 seconds.
 File lengths (MBytes):  RWF=      6 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 16 at Fri Jul 24 15:25:46 2026.
 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=1,124=41,140=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-1704971/395300/Gau-1006654.chk"
 ----------
 HeAr dimer
 ----------
 Charge =  0 Multiplicity = 1
 Redundant internal coordinates found in file.  (old form).
 He,0,0.,0.,-0.2584382768
 Ar,0,0.,0.,3.1658362768
 Recover connectivity data from disk.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  3.4243         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          2           0        0.000000    0.000000   -0.258438
      2         18           0        0.000000    0.000000    3.165836
 ---------------------------------------------------------------------
 Stoichiometry    ArHe
 Framework group  C*V[C*(HeAr)]
 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          2           0        0.000000    0.000000   -3.081847
      2         18           0        0.000000    0.000000    0.342427
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000          11.8465819          11.8465819
 Standard basis: 6-311+G(2d,p) (5D, 7F)
 There are    23 symmetry adapted cartesian basis functions of A1  symmetry.
 There are     2 symmetry adapted cartesian basis functions of A2  symmetry.
 There are     9 symmetry adapted cartesian basis functions of B1  symmetry.
 There are     9 symmetry adapted cartesian basis functions of B2  symmetry.
 There are    21 symmetry adapted basis functions of A1  symmetry.
 There are     2 symmetry adapted basis functions of A2  symmetry.
 There are     9 symmetry adapted basis functions of B1  symmetry.
 There are     9 symmetry adapted basis functions of B2  symmetry.
    41 basis functions,    67 primitive gaussians,    43 cartesian basis functions
    10 alpha electrons       10 beta electrons
       nuclear repulsion energy         5.5633329906 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.
 Nuclear repulsion after empirical dispersion term =        5.5631847444 Hartrees.
 One-electron integrals computed using PRISM.
 NBasis=    41 RedAO= T EigKep=  2.97D-02  NBF=    21     2     9     9
 NBsUse=    41 1.00D-06 EigRej= -1.00D+00 NBFU=    21     2     9     9
 Initial guess from the checkpoint file:  "/scratch/webmo-1704971/395300/Gau-1006654.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) (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG)
       Virtual   (SG) (PI) (PI) (SG) (SG) (DLTA) (DLTA) (PI) (PI)
                 (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (SG) (PI)
                 (PI) (SG) (SG)
 Keep R1 ints in memory in symmetry-blocked form, NReq=14206219.
 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) =  -530.467074707     A.U. after    1 cycles
            NFock=  1  Conv=0.14D-09     -V/T= 2.0028
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1    41
 NBasis=    41 NAE=    10 NBE=    10 NFC=     0 NFV=     0
 NROrb=     41 NOA=    10 NOB=    10 NVA=    31 NVB=    31
 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=14152194.
          There are     9 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.
      6 vectors produced by pass  0 Test12= 3.44D-15 1.11D-08 XBig12= 3.67D+00 1.11D+00.
 AX will form     6 AO Fock derivatives at one time.
      6 vectors produced by pass  1 Test12= 3.44D-15 1.11D-08 XBig12= 5.75D-01 5.43D-01.
      6 vectors produced by pass  2 Test12= 3.44D-15 1.11D-08 XBig12= 2.33D-03 2.14D-02.
      6 vectors produced by pass  3 Test12= 3.44D-15 1.11D-08 XBig12= 1.64D-06 5.50D-04.
      4 vectors produced by pass  4 Test12= 3.44D-15 1.11D-08 XBig12= 3.42D-09 4.44D-05.
      3 vectors produced by pass  5 Test12= 3.44D-15 1.11D-08 XBig12= 2.66D-12 7.63D-07.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-16
 Solved reduced A of dimension    31 with     6 vectors.
 Isotropic polarizability for W=    0.000000        8.62 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) (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG)
       Virtual   (SG) (PI) (PI) (SG) (SG) (DLTA) (DLTA) (PI) (PI)
                 (PI) (PI) (SG) (SG) (SG) (PI) (PI) (SG) (PI) (PI)
                 (SG) (DLTA) (DLTA) (PI) (PI) (SG) (SG) (SG) (PI)
                 (PI) (SG) (SG)
 The electronic state is 1-SG.
 Alpha  occ. eigenvalues -- -115.12493 -11.14549  -8.69803  -8.69803  -8.69802
 Alpha  occ. eigenvalues --   -0.97079  -0.65905  -0.42896  -0.42896  -0.42887
 Alpha virt. eigenvalues --    0.04331   0.08855   0.08855   0.09628   0.47972
 Alpha virt. eigenvalues --    0.48109   0.48109   0.48110   0.48110   0.55421
 Alpha virt. eigenvalues --    0.55421   0.55974   0.68329   0.99016   1.24062
 Alpha virt. eigenvalues --    1.24062   1.26372   2.38395   2.38395   2.38961
 Alpha virt. eigenvalues --    2.52390   2.52391   2.52392   2.52392   2.52437
 Alpha virt. eigenvalues --    5.78042  10.61385  13.41013  13.41013  13.41966
 Alpha virt. eigenvalues --  243.33535
          Condensed to atoms (all electrons):
               1          2
     1  He   1.991248   0.004092
     2  Ar   0.004092  18.000567
 Mulliken charges:
               1
     1  He   0.004660
     2  Ar  -0.004660
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  He   0.004660
     2  Ar  -0.004660
 APT charges:
               1
     1  He  -0.000811
     2  Ar   0.000811
 Sum of APT charges =  -0.00000
 APT charges with hydrogens summed into heavy atoms:
               1
     1  He  -0.000811
     2  Ar   0.000811
 Electronic spatial extent (au):  <R**2>=            103.9445
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=             -0.0207  Tot=              0.0207
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -12.8407   YY=            -12.8407   ZZ=            -12.7503
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0301   YY=             -0.0301   ZZ=              0.0602
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=             -2.4432  XYY=              0.0000
  XXY=              0.0000  XXZ=             -0.6905  XZZ=              0.0000  YZZ=              0.0000
  YYZ=             -0.6905  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -11.9575 YYYY=            -11.9575 ZZZZ=            -80.4177 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -3.9858 XXZZ=            -15.6264 YYZZ=            -15.6264
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 5.563184744400D+00 E-N=-1.272198459401D+03  KE= 5.289852349846D+02
 Symmetry A1   KE= 4.219451855548D+02
 Symmetry A2   KE=-2.065553554987D-55
 Symmetry B1   KE= 5.352002471488D+01
 Symmetry B2   KE= 5.352002471488D+01
  Exact polarizability:       8.530       0.000       8.530      -0.000       0.000       8.791
 Approx polarizability:      11.582      -0.000      11.582      -0.000      -0.000      11.719
 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 ---   -4.7138   -4.7138    0.0048    0.0049    0.0057   43.8757
 Diagonal vibrational polarizability:
        0.0000000       0.0000000       0.0918141
 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 --     43.8757
 Red. masses --      4.3598
 Frc consts  --      0.0049
 IR Inten    --      0.0066
  Atom  AN      X      Y      Z
     1   2     0.00   0.00   1.00
     2  18     0.00   0.00  -0.10

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  2 and mass   4.00260
 Atom     2 has atomic number 18 and mass  39.96238
 Molecular mass:    43.96499 amu.
 Principal axes and moments of inertia in atomic units:
                                 1                 2                 3
     Eigenvalues --            0.000000        152.342778        152.342778
           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)      0.56855
 Rotational constant (GHZ):          11.846582
 Zero-point vibrational energy        262.4 (Joules/Mol)
                                    0.06272 (Kcal/Mol)
 Warning -- explicit consideration of   1 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     63.13
          (Kelvin)
 
 Zero-point correction=                           0.000100 (Hartree/Particle)
 Thermal correction to Energy=                    0.003308
 Thermal correction to Enthalpy=                  0.004252
 Thermal correction to Gibbs Free Energy=        -0.022724
 Sum of electronic and zero-point Energies=           -530.466975
 Sum of electronic and thermal Energies=              -530.463767
 Sum of electronic and thermal Enthalpies=            -530.462822
 Sum of electronic and thermal Free Energies=         -530.489798
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                    2.076              6.948             56.776
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             37.268
 Rotational               0.592              1.987             14.432
 Vibrational              0.595              1.980              5.076
 Vibration     1          0.595              1.980              5.076
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.283263D+11         10.452190         24.067056
 Total V=0       0.314895D+11         10.498166         24.172921
 Vib (Bot)       0.471418D+01          0.673406          1.550575
 Vib (Bot)    1  0.471418D+01          0.673406          1.550575
 Vib (V=0)       0.524062D+01          0.719383          1.656440
 Vib (V=0)    1  0.524062D+01          0.719383          1.656440
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.114581D+08          7.059114         16.254211
 Rotational      0.524408D+03          2.719669          6.262269
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        2          -0.000000000   -0.000000000   -0.000000875
      2       18          -0.000000000   -0.000000000    0.000000875
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000000875 RMS     0.000000505
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Internal  Forces:  Max     0.000000875 RMS     0.000000875
 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           0.00027
 ITU=  0
     Eigenvalues ---    0.00027
 Angle between quadratic step and forces=   0.00 degrees.
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.00233568 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        6.47094   0.00000   0.00000   0.00330   0.00330   6.47424
         Item               Value     Threshold  Converged?
 Maximum Force            0.000001     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.001652     0.001800     YES
 RMS     Displacement     0.002336     0.001200     NO 
 Predicted change in Energy=-1.445948D-09
 Optimization completed on the basis of negligible forces.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  3.4243         -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        0.813939D-02      0.206883D-01      0.690087D-01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z         -0.813939D-02     -0.206883D-01     -0.690087D-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        0.861708D+01      0.127692D+01      0.142076D+01
   aniso      0.261492D+00      0.387491D-01      0.431142D-01
   xx         0.852991D+01      0.126400D+01      0.140639D+01
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.852991D+01      0.126400D+01      0.140639D+01
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.879140D+01      0.130275D+01      0.144951D+01

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

 Dipole orientation:
     2          0.00000000          0.00000000          0.48837756
    18          0.00000000          0.00000000         -5.98256352

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.813939D-02      0.206883D-01      0.690087D-01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.813939D-02      0.206883D-01      0.690087D-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        0.861708D+01      0.127692D+01      0.142076D+01
   aniso      0.261492D+00      0.387491D-01      0.431142D-01
   xx         0.852991D+01      0.126400D+01      0.140639D+01
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.852991D+01      0.126400D+01      0.140639D+01
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.879140D+01      0.130275D+01      0.144951D+01

 ----------------------------------------------------------------------
 Unable to Open any file for archive entry.
 1\1\GINC-COMPUTE-0-1\Freq\RB3LYP\6-311+G(2d,p)\Ar1He1\ESSELMAN\24-Jul-
 2026\0\\#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G
 (2d,p) Freq\\HeAr dimer\\0,1\He,0.,0.,-0.2584382768\Ar,0.,0.,3.1658362
 768\\Version=ES64L-G16RevC.01\State=1-SG\HF=-530.4670747\RMSD=1.404e-1
 0\RMSF=5.055e-07\Thermal=0.0033082\ETot=-530.4637665\HTot=-530.4628224
 \GTot=-530.4897985\Dipole=0.,0.,-0.0081394\DipoleDeriv=0.0012585,0.,0.
 ,0.,0.0012585,0.,0.,0.,-0.0049509,-0.0012585,0.,0.,0.,-0.0012585,0.,0.
 ,0.,0.0049509\Polar=8.5299112,0.,8.5299112,0.,0.,8.7914031\Quadrupole=
 -0.0223952,-0.0223952,0.0447904,0.,0.,0.\PG=C*V [C*(He1Ar1)]\NImag=0\\
 -0.00000306,0.,-0.00000306,0.,0.,0.00026505,0.00000306,0.,0.,-0.000003
 06,0.,0.00000306,0.,0.,-0.00000306,0.,0.,-0.00026505,0.,0.,0.00026505\
 \0.,0.,0.00000088,0.,0.,-0.00000088\\\@
 The archive entry for this job was punched.


 ON A CLEAR DISK YOU CAN SEEK FOREVER.
 Job cpu time:       0 days  0 hours  0 minutes 38.0 seconds.
 Elapsed time:       0 days  0 hours  0 minutes  3.1 seconds.
 File lengths (MBytes):  RWF=      6 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 16 at Fri Jul 24 15:25:49 2026.