 Entering Gaussian System, Link 0=g16
 Initial command:
 /N/soft/cle6/gaussian/g16/g16/l1.exe "/N/dc2/scratch/virgandh/Gau-27660.inp" -scrdir="/N/dc2/scratch/virgandh/"
 Entering Link 1 = /N/soft/cle6/gaussian/g16/g16/l1.exe PID=     27690.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
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 Rights clause in FAR 52.227-19.
  
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 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
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 Gaussian, Inc. access to this program.  By using this program,
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 business of creating and licensing software in the field of
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 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Feb-2020 
 ******************************************
 %NProcShared=24
 Will use up to   24 processors via shared memory.
 ---------------------
 #n B3LYP/6-31G(d) Opt
 ---------------------
 1/18=20,19=15,26=3,38=1/1,3;
 2/9=110,12=2,17=6,18=5,40=1/2;
 3/5=1,6=6,7=1,11=2,25=1,30=1,71=1,74=-5/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7//1,2,3,16;
 1/18=20,19=15,26=3/3(2);
 2/9=110/2;
 99//99;
 2/9=110/2;
 3/5=1,6=6,7=1,11=2,25=1,30=1,71=1,74=-5/1,2,3;
 4/5=5,16=3,69=1/1;
 5/5=2,38=5/2;
 7//1,2,3,16;
 1/18=20,19=15,26=3/3(-5);
 2/9=110/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1/99;
 --
 H3
 --
 Symbolic Z-matrix:
 Charge =  1 Multiplicity = 1
 H                    -5.81927  -0.24379   0. 
 H                    -5.00529  -0.25012   0. 
 H                    -4.19129  -0.25241   0. 
 

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  0.814          estimate D2E/DX2                !
 ! R2    R(2,3)                  0.814          estimate D2E/DX2                !
 ! A1    L(1,2,3,-3,-1)        179.7156         estimate D2E/DX2                !
 ! A2    L(1,2,3,-2,-2)        180.0            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          1           0       -5.819270   -0.243790    0.000000
      2          1           0       -5.005290   -0.250120    0.000000
      3          1           0       -4.191290   -0.252410    0.000000
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3
     1  H    0.000000
     2  H    0.814005   0.000000
     3  H    1.628003   0.814003   0.000000
 Stoichiometry    H3(1+)
 Framework group  D*H[C*(),X(H3)]
 NumDoF:  Unrecognized symmetric subspace, IChar="X   "
 Deg. of freedom    -1
 Full point group                         NOp   0
 Largest Abelian subgroup         D2H     NOp   8
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.000000   -0.000000    0.814002
      2          1           0        0.000000    0.000000    0.000000
      3          1           0        0.000000    0.000000   -0.814002
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000         378.4003231         378.4003231
 Standard basis: 6-31G(d) (6D, 7F)
 There are     4 symmetry adapted cartesian basis functions of AG  symmetry.
 There are     0 symmetry adapted cartesian basis functions of B1G symmetry.
 There are     0 symmetry adapted cartesian basis functions of B2G symmetry.
 There are     0 symmetry adapted cartesian basis functions of B3G symmetry.
 There are     0 symmetry adapted cartesian basis functions of AU  symmetry.
 There are     2 symmetry adapted cartesian basis functions of B1U symmetry.
 There are     0 symmetry adapted cartesian basis functions of B2U symmetry.
 There are     0 symmetry adapted cartesian basis functions of B3U symmetry.
 There are     4 symmetry adapted basis functions of AG  symmetry.
 There are     0 symmetry adapted basis functions of B1G symmetry.
 There are     0 symmetry adapted basis functions of B2G symmetry.
 There are     0 symmetry adapted basis functions of B3G symmetry.
 There are     0 symmetry adapted basis functions of AU  symmetry.
 There are     2 symmetry adapted basis functions of B1U symmetry.
 There are     0 symmetry adapted basis functions of B2U symmetry.
 There are     0 symmetry adapted basis functions of B3U symmetry.
     6 basis functions,    12 primitive gaussians,     6 cartesian basis functions
     1 alpha electrons        1 beta electrons
       nuclear repulsion energy         1.6252338552 Hartrees.
 NAtoms=    3 NActive=    3 NUniq=    2 SFac= 2.25D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=     6 RedAO= T EigKep=  3.03D-02  NBF=     4     0     0     0     0     2     0     0
 NBsUse=     6 1.00D-06 EigRej= -1.00D+00 NBFU=     4     0     0     0     0     2     0     0
 ExpMin= 1.61D-01 ExpMax= 1.87D+01 ExpMxC= 1.87D+01 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  (SGG)
       Virtual   (SGU) (SGG) (SGG) (SGU) (SGG)
 The electronic state of the initial guess is 1-SGG.
 Keep R1 ints in memory in symmetry-blocked form, NReq=20287564.
 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) =  -1.27959300926     A.U. after    6 cycles
            NFock=  6  Conv=0.91D-08     -V/T= 2.0201

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (SGG)
       Virtual   (SGU) (SGG) (SGG) (SGU) (SGG)
 The electronic state is 1-SGG.
 Alpha  occ. eigenvalues --   -0.95145
 Alpha virt. eigenvalues --   -0.51465  -0.11466   0.29924   0.38835   0.76653
          Condensed to atoms (all electrons):
               1          2          3
     1  H    0.162741   0.197327   0.013952
     2  H    0.197327   0.857306   0.197327
     3  H    0.013952   0.197327   0.162741
 Mulliken charges:
               1
     1  H    0.625980
     2  H   -0.251960
     3  H    0.625980
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
 Electronic spatial extent (au):  <R**2>=              5.2477
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=             -0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.6534   YY=             -1.6534   ZZ=              2.6136
   XY=             -0.0000   XZ=             -0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.4223   YY=             -1.4223   ZZ=              2.8447
   XY=             -0.0000   XZ=             -0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.0000  YYY=             -0.0000  ZZZ=             -0.0000  XYY=             -0.0000
  XXY=             -0.0000  XXZ=              0.0000  XZZ=              0.0000  YZZ=              0.0000
  YYZ=              0.0000  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -1.2920 YYYY=             -1.2920 ZZZZ=              0.1915 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=             -0.0000 ZZZX=             -0.0000
 ZZZY=              0.0000 XXYY=             -0.4307 XXZZ=             -0.7066 YYZZ=             -0.7066
 XXYZ=             -0.0000 YYXZ=              0.0000 ZZXY=             -0.0000
 N-N= 1.625233855174D+00 E-N=-4.743323777999D+00  KE= 1.254370073251D+00
 Symmetry AG   KE= 1.254370073251D+00
 Symmetry B1G  KE= 0.000000000000D+00
 Symmetry B2G  KE= 0.000000000000D+00
 Symmetry B3G  KE= 0.000000000000D+00
 Symmetry AU   KE= 0.000000000000D+00
 Symmetry B1U  KE= 1.965561396356D-33
 Symmetry B2U  KE= 0.000000000000D+00
 Symmetry B3U  KE= 0.000000000000D+00
 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        1          -0.001725072    0.000009134   -0.000000000
      2        1           0.000000000    0.000000000    0.000000000
      3        1           0.001725072   -0.000009134   -0.000000000
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001725072 RMS     0.000813218

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001725096 RMS     0.001219827
 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        R2        A1        A2
           R1           0.30630
           R2           0.00000   0.30630
           A1           0.00000   0.00000   0.00230
           A2           0.00000   0.00000   0.00000   0.00230
 ITU=  0
     Eigenvalues ---    0.00230   0.00230   0.30630   0.30630
 RFO step:  Lambda=-1.94314854D-05 EMin= 2.30000000D-03
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.00398217 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 ClnCor:  largest displacement from symmetrization is 1.78D-13 for atom     2.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        1.53824   0.00173   0.00000   0.00563   0.00563   1.54387
    R2        1.53824   0.00173   0.00000   0.00563   0.00563   1.54387
    A1        3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
    A2        3.14159  -0.00000   0.00000  -0.00000   0.00000   3.14159
         Item               Value     Threshold  Converged?
 Maximum Force            0.001725     0.000450     NO 
 RMS     Force            0.001220     0.000300     NO 
 Maximum Displacement     0.005632     0.001800     NO 
 RMS     Displacement     0.003982     0.001200     NO 
 Predicted change in Energy=-9.715743D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -5.822254   -0.244448    0.000000
      2          1           0       -5.005283   -0.248773    0.000000
      3          1           0       -4.188313   -0.253099    0.000000
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3
     1  H    0.000000
     2  H    0.816982   0.000000
     3  H    1.633964   0.816982   0.000000
 Stoichiometry    H3(1+)
 Framework group  D*H[O(H),C*(H.H)]
 Deg. of freedom     1
 Full point group                 D*H     NOp   8
 Omega: Change in point group or standard orientation.

 Old FWG=D*H  [C*(),X(H3)]
 New FWG=D*H  [O(H1),C*(H1.H1)]
 Largest Abelian subgroup         D2H     NOp   8
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.000000    0.000000    0.816982
      2          1           0        0.000000    0.000000    0.000000
      3          1           0        0.000000    0.000000   -0.816982
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000         375.6447453         375.6447453
 Standard basis: 6-31G(d) (6D, 7F)
 There are     4 symmetry adapted cartesian basis functions of AG  symmetry.
 There are     0 symmetry adapted cartesian basis functions of B1G symmetry.
 There are     0 symmetry adapted cartesian basis functions of B2G symmetry.
 There are     0 symmetry adapted cartesian basis functions of B3G symmetry.
 There are     0 symmetry adapted cartesian basis functions of AU  symmetry.
 There are     2 symmetry adapted cartesian basis functions of B1U symmetry.
 There are     0 symmetry adapted cartesian basis functions of B2U symmetry.
 There are     0 symmetry adapted cartesian basis functions of B3U symmetry.
 There are     4 symmetry adapted basis functions of AG  symmetry.
 There are     0 symmetry adapted basis functions of B1G symmetry.
 There are     0 symmetry adapted basis functions of B2G symmetry.
 There are     0 symmetry adapted basis functions of B3G symmetry.
 There are     0 symmetry adapted basis functions of AU  symmetry.
 There are     2 symmetry adapted basis functions of B1U symmetry.
 There are     0 symmetry adapted basis functions of B2U symmetry.
 There are     0 symmetry adapted basis functions of B3U symmetry.
     6 basis functions,    12 primitive gaussians,     6 cartesian basis functions
     1 alpha electrons        1 beta electrons
       nuclear repulsion energy         1.6193054228 Hartrees.
 NAtoms=    3 NActive=    3 NUniq=    2 SFac= 2.25D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=     6 RedAO= T EigKep=  3.07D-02  NBF=     4     0     0     0     0     2     0     0
 NBsUse=     6 1.00D-06 EigRej= -1.00D+00 NBFU=     4     0     0     0     0     2     0     0
 Initial guess from the checkpoint file:  "/N/dc2/scratch/virgandh/Gau-27690.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  (SGG)
       Virtual   (SGU) (SGG) (SGG) (SGU) (SGG)
 Keep R1 ints in memory in symmetry-blocked form, NReq=20287564.
 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) =  -1.27960568566     A.U. after    5 cycles
            NFock=  5  Conv=0.70D-11     -V/T= 2.0229
 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        1          -0.000529672    0.000002805   -0.000000000
      2        1          -0.000000000    0.000000000    0.000000000
      3        1           0.000529672   -0.000002805   -0.000000000
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000529672 RMS     0.000249693

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000529680 RMS     0.000374540
 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= -1.27D-05 DEPred=-9.72D-06 R= 1.30D+00
 TightC=F SS=  1.41D+00  RLast= 7.96D-03 DXNew= 5.0454D-01 2.3893D-02
 Trust test= 1.30D+00 RLast= 7.96D-03 DXMaxT set to 3.00D-01
 The second derivative matrix:
                          R1        R2        A1        A2
           R1           0.25929
           R2          -0.04702   0.25929
           A1           0.00000   0.00000   0.00230
           A2          -0.00000  -0.00000  -0.00000   0.00230
 ITU=  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00230   0.00230   0.21227   0.30630
 RFO step:  Lambda= 0.00000000D+00 EMin= 2.30000000D-03
 Quartic linear search produced a step of  0.44937.
 Iteration  1 RMS(Cart)=  0.00178947 RMS(Int)=  0.00000001
 Iteration  2 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000001
 ClnCor:  largest displacement from symmetrization is 1.54D-08 for atom     2.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        1.54387   0.00053   0.00253   0.00000   0.00253   1.54640
    R2        1.54387   0.00053   0.00253  -0.00000   0.00253   1.54640
    A1        3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
    A2        3.14159  -0.00000   0.00000  -0.00000   0.00000   3.14159
         Item               Value     Threshold  Converged?
 Maximum Force            0.000530     0.000450     NO 
 RMS     Force            0.000375     0.000300     NO 
 Maximum Displacement     0.002531     0.001800     NO 
 RMS     Displacement     0.001789     0.001200     NO 
 Predicted change in Energy=-1.321466D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -5.823593   -0.244440   -0.000000
      2          1           0       -5.005283   -0.248773    0.000000
      3          1           0       -4.186974   -0.253106    0.000000
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3
     1  H    0.000000
     2  H    0.818321   0.000000
     3  H    1.636642   0.818321   0.000000
 Stoichiometry    H3(1+)
 Framework group  D*H[O(H),C*(H.H)]
 Deg. of freedom     1
 Full point group                 D*H     NOp   8
 Largest Abelian subgroup         D2H     NOp   8
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.000000   -0.000000    0.818321
      2          1           0        0.000000    0.000000    0.000000
      3          1           0        0.000000   -0.000000   -0.818321
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000         374.4162629         374.4162629
 Standard basis: 6-31G(d) (6D, 7F)
 There are     4 symmetry adapted cartesian basis functions of AG  symmetry.
 There are     0 symmetry adapted cartesian basis functions of B1G symmetry.
 There are     0 symmetry adapted cartesian basis functions of B2G symmetry.
 There are     0 symmetry adapted cartesian basis functions of B3G symmetry.
 There are     0 symmetry adapted cartesian basis functions of AU  symmetry.
 There are     2 symmetry adapted cartesian basis functions of B1U symmetry.
 There are     0 symmetry adapted cartesian basis functions of B2U symmetry.
 There are     0 symmetry adapted cartesian basis functions of B3U symmetry.
 There are     4 symmetry adapted basis functions of AG  symmetry.
 There are     0 symmetry adapted basis functions of B1G symmetry.
 There are     0 symmetry adapted basis functions of B2G symmetry.
 There are     0 symmetry adapted basis functions of B3G symmetry.
 There are     0 symmetry adapted basis functions of AU  symmetry.
 There are     2 symmetry adapted basis functions of B1U symmetry.
 There are     0 symmetry adapted basis functions of B2U symmetry.
 There are     0 symmetry adapted basis functions of B3U symmetry.
     6 basis functions,    12 primitive gaussians,     6 cartesian basis functions
     1 alpha electrons        1 beta electrons
       nuclear repulsion energy         1.6166554227 Hartrees.
 NAtoms=    3 NActive=    3 NUniq=    2 SFac= 2.25D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=     6 RedAO= T EigKep=  3.08D-02  NBF=     4     0     0     0     0     2     0     0
 NBsUse=     6 1.00D-06 EigRej= -1.00D+00 NBFU=     4     0     0     0     0     2     0     0
 Initial guess from the checkpoint file:  "/N/dc2/scratch/virgandh/Gau-27690.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  (SGG)
       Virtual   (SGU) (SGG) (SGG) (SGU) (SGG)
 Keep R1 ints in memory in symmetry-blocked form, NReq=20287564.
 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) =  -1.27960702411     A.U. after    5 cycles
            NFock=  5  Conv=0.14D-11     -V/T= 2.0241
 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        1           0.000000023   -0.000000000   -0.000000000
      2        1          -0.000000000    0.000000000    0.000000000
      3        1          -0.000000023    0.000000000   -0.000000000
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000000023 RMS     0.000000011

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000000023 RMS     0.000000016
 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    1    2    3
 DE= -1.34D-06 DEPred=-1.32D-06 R= 1.01D+00
 TightC=F SS=  1.41D+00  RLast= 3.58D-03 DXNew= 5.0454D-01 1.0737D-02
 Trust test= 1.01D+00 RLast= 3.58D-03 DXMaxT set to 3.00D-01
 The second derivative matrix:
                          R1        R2        A1        A2
           R1           0.25781
           R2          -0.04850   0.25781
           A1          -0.00000  -0.00000   0.00230
           A2          -0.00000  -0.00000   0.00000   0.00230
 ITU=  1  1  0
     Eigenvalues ---    0.00230   0.00230   0.20931   0.30630
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:     3    2
 RFO step:  Lambda=-4.23709260D-15.
 Use linear search instead of GDIIS.
 RFO step:  Lambda= 0.00000000D+00 EMin= 2.30000000D-03
 Quartic linear search produced a step of -0.00004.
 Iteration  1 RMS(Cart)=  0.00000008 RMS(Int)=  0.00000001
 ClnCor:  largest displacement from symmetrization is 6.65D-15 for atom     2.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        1.54640  -0.00000  -0.00000  -0.00000  -0.00000   1.54640
    R2        1.54640  -0.00000  -0.00000   0.00000  -0.00000   1.54640
    A1        3.14159   0.00000   0.00000   0.00000  -0.00000   3.14159
    A2        3.14159  -0.00000   0.00000  -0.00000   0.00000   3.14159
         Item               Value     Threshold  Converged?
 Maximum Force            0.000000     0.000450     YES
 RMS     Force            0.000000     0.000300     YES
 Maximum Displacement     0.000000     0.001800     YES
 RMS     Displacement     0.000000     0.001200     YES
 Predicted change in Energy=-2.600271D-15
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  0.8183         -DE/DX =    0.0                 !
 ! R2    R(2,3)                  0.8183         -DE/DX =    0.0                 !
 ! A1    L(1,2,3,-3,-1)        180.0            -DE/DX =    0.0                 !
 ! A2    L(1,2,3,-2,-2)        180.0            -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -5.823593   -0.244440   -0.000000
      2          1           0       -5.005283   -0.248773    0.000000
      3          1           0       -4.186974   -0.253106    0.000000
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3
     1  H    0.000000
     2  H    0.818321   0.000000
     3  H    1.636642   0.818321   0.000000
 Stoichiometry    H3(1+)
 Framework group  D*H[O(H),C*(H.H)]
 Deg. of freedom     1
 Full point group                 D*H     NOp   8
 Largest Abelian subgroup         D2H     NOp   8
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.000000    0.000000    0.818321
      2          1           0        0.000000    0.000000    0.000000
      3          1           0        0.000000    0.000000   -0.818321
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0000000         374.4162629         374.4162629

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (SGG)
       Virtual   (SGU) (SGG) (SGG) (SGU) (SGG)
 The electronic state is 1-SGG.
 Alpha  occ. eigenvalues --   -0.94878
 Alpha virt. eigenvalues --   -0.51529  -0.11588   0.30026   0.38963   0.76081
          Condensed to atoms (all electrons):
               1          2          3
     1  H    0.163476   0.197157   0.013994
     2  H    0.197157   0.856432   0.197157
     3  H    0.013994   0.197157   0.163476
 Mulliken charges:
               1
     1  H    0.625373
     2  H   -0.250747
     3  H    0.625373
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
 Electronic spatial extent (au):  <R**2>=              5.2822
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=              0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.6607   YY=             -1.6607   ZZ=              2.6496
   XY=              0.0000   XZ=             -0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.4368   YY=             -1.4368   ZZ=              2.8735
   XY=              0.0000   XZ=             -0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.0000  YYY=             -0.0000  ZZZ=              0.0000  XYY=             -0.0000
  XXY=             -0.0000  XXZ=              0.0000  XZZ=              0.0000  YZZ=             -0.0000
  YYZ=              0.0000  XYZ=             -0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -1.3028 YYYY=             -1.3028 ZZZZ=              0.2184 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=             -0.0000 ZZZX=             -0.0000
 ZZZY=             -0.0000 XXYY=             -0.4343 XXZZ=             -0.7148 YYZZ=             -0.7148
 XXYZ=             -0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 1.616655422705D+00 E-N=-4.727644927687D+00  KE= 1.249441480304D+00
 Symmetry AG   KE= 1.249441480304D+00
 Symmetry B1G  KE= 0.000000000000D+00
 Symmetry B2G  KE= 0.000000000000D+00
 Symmetry B3G  KE= 0.000000000000D+00
 Symmetry AU   KE= 0.000000000000D+00
 Symmetry B1U  KE=-1.483677626394D-34
 Symmetry B2U  KE= 0.000000000000D+00
 Symmetry B3U  KE= 0.000000000000D+00
 1\1\GINC-NID00433\FOpt\RB3LYP\6-31G(d)\H3(1+)\VIRGANDH\13-Feb-2020\0\\
 #n B3LYP/6-31G(d) Opt\\H3\\1,1\H,-5.8235928284,-0.2444404614,0.\H,-5.0
 052833333,-0.2487733333,0.\H,-4.1869738383,-0.2531062052,0.\\Version=E
 S64L-G16RevA.03\State=1-SGG\HF=-1.279607\RMSD=1.399e-12\RMSF=1.100e-08
 \Dipole=0.,0.,0.\Quadrupole=2.1363202,-1.0681152,-1.068205,-0.0169677,
 0.,0.\PG=D*H [O(H1),C*(H1.H1)]\\@


 Change starts when someone sees the next step.
                            -- William Drayton
 Job cpu time:       0 days  0 hours  2 minutes 40.2 seconds.
 Elapsed time:       0 days  0 hours  0 minutes 11.6 seconds.
 File lengths (MBytes):  RWF=      6 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 16 at Thu Feb 13 17:26:40 2020.
