 Entering Gaussian System, Link 0=g16
 Initial command:
 /N/soft/cle6/gaussian/g16/g16/l1.exe "/N/dc2/scratch/virgandh/Gau-5169.inp" -scrdir="/N/dc2/scratch/virgandh/"
 Entering Link 1 = /N/soft/cle6/gaussian/g16/g16/l1.exe PID=      5222.
  
 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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 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
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 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
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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;
 ---
 NH4
 ---
 Symbolic Z-matrix:
 Charge =  1 Multiplicity = 1
 N                    -8.16683  -4.88835  -3.74583 
 H                    -7.12767  -4.91531  -3.64474 
 H                    -8.5872   -4.43927  -2.90177 
 H                    -8.53275  -5.86194  -3.84084 
 H                    -8.41972  -4.33687  -4.59597 
 

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.0444         estimate D2E/DX2                !
 ! R2    R(1,3)                  1.0444         estimate D2E/DX2                !
 ! R3    R(1,4)                  1.0444         estimate D2E/DX2                !
 ! R4    R(1,5)                  1.0444         estimate D2E/DX2                !
 ! A1    A(2,1,3)              109.4717         estimate D2E/DX2                !
 ! A2    A(2,1,4)              109.4715         estimate D2E/DX2                !
 ! A3    A(2,1,5)              109.4711         estimate D2E/DX2                !
 ! A4    A(3,1,4)              109.4706         estimate D2E/DX2                !
 ! A5    A(3,1,5)              109.471          estimate D2E/DX2                !
 ! A6    A(4,1,5)              109.4713         estimate D2E/DX2                !
 ! D1    D(2,1,4,3)            120.0004         estimate D2E/DX2                !
 ! D2    D(2,1,5,3)           -120.0004         estimate D2E/DX2                !
 ! D3    D(2,1,5,4)            120.0004         estimate D2E/DX2                !
 ! D4    D(3,1,5,4)           -119.9991         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=     24 maximum allowed number of steps=    100.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -8.166830   -4.888350   -3.745830
      2          1           0       -7.127670   -4.915310   -3.644740
      3          1           0       -8.587200   -4.439270   -2.901770
      4          1           0       -8.532750   -5.861940   -3.840840
      5          1           0       -8.419720   -4.336870   -4.595970
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  N    0.000000
     2  H    1.044413   0.000000
     3  H    1.044424   1.705534   0.000000
     4  H    1.044415   1.705524   1.705523   0.000000
     5  H    1.044424   1.705528   1.705535   1.705531   0.000000
 Stoichiometry    H4N(1+)
 Framework group  C1[X(H4N)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0        0.000001    0.000002   -0.000000
      2          1           0        0.441867    0.788287   -0.523603
      3          1           0       -0.793887   -0.386700   -0.557696
      4          1           0       -0.356425    0.348216    0.917883
      5          1           0        0.708441   -0.749817    0.163417
 ---------------------------------------------------------------------
 Rotational constants (GHZ):         172.3916638         172.3906808         172.3897344
 Standard basis: 6-31G(d) (6D, 7F)
 There are    23 symmetry adapted cartesian basis functions of A   symmetry.
 There are    23 symmetry adapted basis functions of A   symmetry.
    23 basis functions,    44 primitive gaussians,    23 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        16.0484283599 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=    23 RedAO= T EigKep=  2.02D-02  NBF=    23
 NBsUse=    23 1.00D-06 EigRej= -1.00D+00 NBFU=    23
 ExpMin= 1.61D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+02 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 canonical form, NReq=20725220.
 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) =  -56.8932184687     A.U. after    7 cycles
            NFock=  7  Conv=0.70D-08     -V/T= 2.0122

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.71655  -1.23928  -0.81934  -0.81934  -0.81934
 Alpha virt. eigenvalues --   -0.21499  -0.13466  -0.13466  -0.13465   0.34686
 Alpha virt. eigenvalues --    0.34686   0.34686   0.56319   0.56320   0.56320
 Alpha virt. eigenvalues --    0.58299   0.98744   1.25662   1.25662   1.96578
 Alpha virt. eigenvalues --    1.96579   1.96579   3.37164
          Condensed to atoms (all electrons):
               1          2          3          4          5
     1  N    6.651631   0.299213   0.299212   0.299213   0.299212
     2  H    0.299213   0.266384  -0.009239  -0.009239  -0.009239
     3  H    0.299212  -0.009239   0.266385  -0.009240  -0.009239
     4  H    0.299213  -0.009239  -0.009240   0.266385  -0.009239
     5  H    0.299212  -0.009239  -0.009239  -0.009239   0.266385
 Mulliken charges:
               1
     1  N   -0.848481
     2  H    0.462120
     3  H    0.462120
     4  H    0.462120
     5  H    0.462121
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  N    1.000000
 Electronic spatial extent (au):  <R**2>=             25.2724
 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=             -4.3448   YY=             -4.3449   ZZ=             -4.3449
   XY=              0.0000   XZ=             -0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.0000   YY=              0.0000   ZZ=             -0.0000
   XY=              0.0000   XZ=             -0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.2276  YYY=              0.1155  ZZZ=              1.0101  XYY=              1.1203
  XXY=             -0.9251  XXZ=             -0.5593  XZZ=             -0.8927  YZZ=              0.8095
  YYZ=             -0.4508  XYZ=             -1.2154
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -7.1219 YYYY=             -7.0315 ZZZZ=             -6.6712 XXXY=             -0.0525
 XXXZ=              0.6303 YYYX=             -0.1292 YYYZ=             -0.6402 ZZZX=             -0.4990
 ZZZY=              0.5535 XXYY=             -1.6725 XXZZ=             -2.0328 YYZZ=             -2.1233
 XXYZ=              0.0867 YYXZ=             -0.1312 ZZXY=              0.1818
 N-N= 1.604842835991D+01 E-N=-1.605631131217D+02  KE= 5.620840463785D+01
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 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        7          -0.000006502    0.000006366   -0.000000420
      2        1          -0.011603714    0.000300963   -0.001128065
      3        1           0.004697962   -0.005016887   -0.009430350
      4        1           0.004086765    0.010871534    0.001059972
      5        1           0.002825489   -0.006161976    0.009498862
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.011603714 RMS     0.006024273

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.011669692 RMS     0.006235715
 Search for a local minimum.
 Step number   1 out of a maximum of   24
 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        R3        R4        A1
           R1           0.40661
           R2           0.00000   0.40659
           R3           0.00000   0.00000   0.40660
           R4           0.00000   0.00000   0.00000   0.40659
           A1           0.00000   0.00000   0.00000   0.00000   0.16000
           A2           0.00000   0.00000   0.00000   0.00000   0.00000
           A3           0.00000   0.00000   0.00000   0.00000   0.00000
           A4           0.00000   0.00000   0.00000   0.00000   0.00000
           A5           0.00000   0.00000   0.00000   0.00000   0.00000
           A6           0.00000   0.00000   0.00000   0.00000   0.00000
           D1           0.00000   0.00000   0.00000   0.00000   0.00000
           D2           0.00000   0.00000   0.00000   0.00000   0.00000
           D3           0.00000   0.00000   0.00000   0.00000   0.00000
           D4           0.00000   0.00000   0.00000   0.00000   0.00000
                          A2        A3        A4        A5        A6
           A2           0.16000
           A3           0.00000   0.16000
           A4           0.00000   0.00000   0.16000
           A5           0.00000   0.00000   0.00000   0.16000
           A6           0.00000   0.00000   0.00000   0.00000   0.16000
           D1           0.00000   0.00000   0.00000   0.00000   0.00000
           D2           0.00000   0.00000   0.00000   0.00000   0.00000
           D3           0.00000   0.00000   0.00000   0.00000   0.00000
           D4           0.00000   0.00000   0.00000   0.00000   0.00000
                          D1        D2        D3        D4
           D1           0.00441
           D2           0.00000   0.00441
           D3           0.00000   0.00000   0.00441
           D4           0.00000   0.00000   0.00000   0.00441
 ITU=  0
     Eigenvalues ---    0.05228   0.05853   0.08739   0.16000   0.16000
     Eigenvalues ---    0.40659   0.40659   0.40660   0.40661
 RFO step:  Lambda=-1.33448132D-03 EMin= 5.22824149D-02
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.01528615 RMS(Int)=  0.00000009
 Iteration  2 RMS(Cart)=  0.00000006 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        1.97366  -0.01166   0.00000  -0.02859  -0.02859   1.94507
    R2        1.97367  -0.01167   0.00000  -0.02861  -0.02861   1.94507
    R3        1.97366  -0.01166   0.00000  -0.02859  -0.02859   1.94507
    R4        1.97368  -0.01167   0.00000  -0.02861  -0.02861   1.94507
    A1        1.91064  -0.00000   0.00000  -0.00001  -0.00001   1.91063
    A2        1.91064  -0.00000   0.00000  -0.00000  -0.00000   1.91064
    A3        1.91063   0.00000   0.00000   0.00000   0.00000   1.91063
    A4        1.91062   0.00000   0.00000   0.00001   0.00001   1.91063
    A5        1.91063  -0.00000   0.00000   0.00000   0.00000   1.91063
    A6        1.91064  -0.00000   0.00000  -0.00000  -0.00000   1.91063
    D1        2.09440  -0.00000   0.00000  -0.00001  -0.00001   2.09440
    D2       -2.09440   0.00000   0.00000   0.00001   0.00001  -2.09439
    D3        2.09440  -0.00000   0.00000  -0.00000  -0.00000   2.09440
    D4       -2.09438  -0.00000   0.00000  -0.00001  -0.00001  -2.09439
         Item               Value     Threshold  Converged?
 Maximum Force            0.011670     0.000450     NO 
 RMS     Force            0.006236     0.000300     NO 
 Maximum Displacement     0.028451     0.001800     NO 
 RMS     Displacement     0.015286     0.001200     NO 
 Predicted change in Energy=-6.694234D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -8.166833   -4.888349   -3.745830
      2          1           0       -7.142726   -4.914918   -3.646201
      3          1           0       -8.581105   -4.445774   -2.914003
      4          1           0       -8.527449   -5.847837   -3.839467
      5          1           0       -8.416057   -4.344863   -4.583648
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  N    0.000000
     2  H    1.029285   0.000000
     3  H    1.029286   1.680817   0.000000
     4  H    1.029286   1.680818   1.680816   0.000000
     5  H    1.029286   1.680816   1.680815   1.680817   0.000000
 Stoichiometry    H4N(1+)
 Framework group  C1[X(H4N)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0        0.000000    0.000000    0.000000
      2          1           0        0.817453    0.596751   -0.187318
      3          1           0       -0.139322   -0.648090   -0.787400
      4          1           0       -0.836561    0.589193    0.111562
      5          1           0        0.158430   -0.537858    0.863156
 ---------------------------------------------------------------------
 Rotational constants (GHZ):         177.4973116         177.4971858         177.4970409
 Standard basis: 6-31G(d) (6D, 7F)
 There are    23 symmetry adapted cartesian basis functions of A   symmetry.
 There are    23 symmetry adapted basis functions of A   symmetry.
    23 basis functions,    44 primitive gaussians,    23 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        16.2843837496 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=    23 RedAO= T EigKep=  1.96D-02  NBF=    23
 NBsUse=    23 1.00D-06 EigRej= -1.00D+00 NBFU=    23
 Initial guess from the checkpoint file:  "/N/dc2/scratch/virgandh/Gau-5222.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    0.878592    0.189274    0.438007    0.020054 Ang=  57.05 deg.
 ExpMin= 1.61D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+02 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Keep R1 ints in memory in canonical form, NReq=20725220.
 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) =  -56.8938891387     A.U. after    7 cycles
            NFock=  7  Conv=0.45D-08     -V/T= 2.0106
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 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        7          -0.000000646    0.000000263    0.000000071
      2        1           0.000124716   -0.000003374    0.000012170
      3        1          -0.000050188    0.000053444    0.000100767
      4        1          -0.000043621   -0.000116091   -0.000011399
      5        1          -0.000030261    0.000065759   -0.000101609
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000124716 RMS     0.000064455

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000125353 RMS     0.000066717
 Search for a local minimum.
 Step number   2 out of a maximum of   24
 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= -6.71D-04 DEPred=-6.69D-04 R= 1.00D+00
 TightC=F SS=  1.41D+00  RLast= 5.72D-02 DXNew= 5.0454D-01 1.7159D-01
 Trust test= 1.00D+00 RLast= 5.72D-02 DXMaxT set to 3.00D-01
 The second derivative matrix:
                          R1        R2        R3        R4        A1
           R1           0.40804
           R2           0.00143   0.40801
           R3           0.00143   0.00142   0.40802
           R4           0.00143   0.00142   0.00142   0.40801
           A1          -0.00001  -0.00001  -0.00001  -0.00001   0.16000
           A2          -0.00000  -0.00000  -0.00000  -0.00000  -0.00000
           A3          -0.00000  -0.00000  -0.00000  -0.00000   0.00000
           A4           0.00001   0.00001   0.00001   0.00001   0.00000
           A5           0.00000   0.00000   0.00000   0.00000   0.00000
           A6           0.00000   0.00000   0.00000   0.00000  -0.00000
           D1           0.00000   0.00000   0.00000   0.00000   0.00000
           D2          -0.00000  -0.00000  -0.00000  -0.00000  -0.00000
           D3           0.00000   0.00000   0.00000   0.00000   0.00000
           D4           0.00001   0.00001   0.00001   0.00001   0.00000
                          A2        A3        A4        A5        A6
           A2           0.16000
           A3           0.00000   0.16000
           A4           0.00000  -0.00000   0.16000
           A5           0.00000  -0.00000  -0.00000   0.16000
           A6          -0.00000  -0.00000   0.00000   0.00000   0.16000
           D1           0.00000  -0.00000  -0.00000   0.00000   0.00000
           D2          -0.00000   0.00000   0.00000  -0.00000  -0.00000
           D3           0.00000  -0.00000  -0.00000   0.00000   0.00000
           D4           0.00000  -0.00000  -0.00000   0.00000   0.00000
                          D1        D2        D3        D4
           D1           0.00441
           D2          -0.00000   0.00441
           D3           0.00000  -0.00000   0.00441
           D4           0.00000  -0.00000   0.00000   0.00441
 ITU=  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.05228   0.05853   0.08739   0.16000   0.16000
     Eigenvalues ---    0.40659   0.40660   0.40660   0.41230
 RFO step:  Lambda= 0.00000000D+00 EMin= 5.22823188D-02
 Quartic linear search produced a step of -0.01011.
 Iteration  1 RMS(Cart)=  0.00015457 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        1.94507   0.00013   0.00029   0.00000   0.00029   1.94536
    R2        1.94507   0.00012   0.00029  -0.00000   0.00029   1.94536
    R3        1.94507   0.00012   0.00029  -0.00000   0.00029   1.94536
    R4        1.94507   0.00012   0.00029  -0.00000   0.00029   1.94536
    A1        1.91063  -0.00000   0.00000   0.00000   0.00000   1.91063
    A2        1.91064  -0.00000   0.00000  -0.00000  -0.00000   1.91063
    A3        1.91063   0.00000  -0.00000   0.00000   0.00000   1.91063
    A4        1.91063  -0.00000  -0.00000  -0.00000  -0.00000   1.91063
    A5        1.91063   0.00000  -0.00000   0.00000   0.00000   1.91063
    A6        1.91063  -0.00000   0.00000  -0.00000  -0.00000   1.91063
    D1        2.09440  -0.00000   0.00000  -0.00000  -0.00000   2.09440
    D2       -2.09439  -0.00000  -0.00000  -0.00000  -0.00000  -2.09440
    D3        2.09440  -0.00000   0.00000  -0.00000  -0.00000   2.09440
    D4       -2.09439   0.00000   0.00000   0.00000   0.00000  -2.09439
         Item               Value     Threshold  Converged?
 Maximum Force            0.000125     0.000450     YES
 RMS     Force            0.000067     0.000300     YES
 Maximum Displacement     0.000289     0.001800     YES
 RMS     Displacement     0.000155     0.001200     YES
 Predicted change in Energy=-7.542119D-08
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.0293         -DE/DX =    0.0001              !
 ! R2    R(1,3)                  1.0293         -DE/DX =    0.0001              !
 ! R3    R(1,4)                  1.0293         -DE/DX =    0.0001              !
 ! R4    R(1,5)                  1.0293         -DE/DX =    0.0001              !
 ! A1    A(2,1,3)              109.4713         -DE/DX =    0.0                 !
 ! A2    A(2,1,4)              109.4714         -DE/DX =    0.0                 !
 ! A3    A(2,1,5)              109.4712         -DE/DX =    0.0                 !
 ! A4    A(3,1,4)              109.4712         -DE/DX =    0.0                 !
 ! A5    A(3,1,5)              109.4711         -DE/DX =    0.0                 !
 ! A6    A(4,1,5)              109.4712         -DE/DX =    0.0                 !
 ! D1    D(2,1,4,3)            120.0001         -DE/DX =    0.0                 !
 ! D2    D(2,1,5,3)           -120.0            -DE/DX =    0.0                 !
 ! D3    D(2,1,5,4)            120.0002         -DE/DX =    0.0                 !
 ! D4    D(3,1,5,4)           -119.9999         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -8.166833   -4.888349   -3.745830
      2          1           0       -7.142726   -4.914918   -3.646201
      3          1           0       -8.581105   -4.445774   -2.914003
      4          1           0       -8.527449   -5.847837   -3.839467
      5          1           0       -8.416057   -4.344863   -4.583648
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  N    0.000000
     2  H    1.029285   0.000000
     3  H    1.029286   1.680817   0.000000
     4  H    1.029286   1.680818   1.680816   0.000000
     5  H    1.029286   1.680816   1.680815   1.680817   0.000000
 Stoichiometry    H4N(1+)
 Framework group  C1[X(H4N)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0        0.000000    0.000000    0.000000
      2          1           0        0.817453    0.596751   -0.187318
      3          1           0       -0.139322   -0.648090   -0.787400
      4          1           0       -0.836561    0.589193    0.111562
      5          1           0        0.158430   -0.537858    0.863156
 ---------------------------------------------------------------------
 Rotational constants (GHZ):         177.4973116         177.4971858         177.4970409

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.71462  -1.24854  -0.82662  -0.82662  -0.82662
 Alpha virt. eigenvalues --   -0.21079  -0.12968  -0.12968  -0.12968   0.34071
 Alpha virt. eigenvalues --    0.34071   0.34071   0.57150   0.57150   0.57150
 Alpha virt. eigenvalues --    0.60106   0.99432   1.24914   1.24914   1.98419
 Alpha virt. eigenvalues --    1.98419   1.98419   3.37985
          Condensed to atoms (all electrons):
               1          2          3          4          5
     1  N    6.634179   0.302349   0.302349   0.302349   0.302349
     2  H    0.302349   0.264247  -0.009163  -0.009163  -0.009163
     3  H    0.302349  -0.009163   0.264247  -0.009163  -0.009163
     4  H    0.302349  -0.009163  -0.009163   0.264247  -0.009163
     5  H    0.302349  -0.009163  -0.009163  -0.009163   0.264247
 Mulliken charges:
               1
     1  N   -0.843575
     2  H    0.460894
     3  H    0.460894
     4  H    0.460894
     5  H    0.460894
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  N    1.000000
 Electronic spatial extent (au):  <R**2>=             24.8850
 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=             -4.3722   YY=             -4.3722   ZZ=             -4.3722
   XY=              0.0000   XZ=             -0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.0000   YY=              0.0000   ZZ=             -0.0000
   XY=              0.0000   XZ=             -0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.0827  YYY=             -0.0235  ZZZ=              0.3263  XYY=             -0.0261
  XXY=              1.7111  XXZ=             -0.0887  XZZ=              0.1088  YZZ=             -1.6876
  YYZ=             -0.2376  XYZ=             -0.6343
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -6.3031 YYYY=             -7.3816 ZZZZ=             -6.2942 XXXY=             -0.0486
 XXXZ=             -0.4066 YYYX=              0.0398 YYYZ=              0.1582 ZZZX=              0.4099
 ZZZY=             -0.0818 XXYY=             -1.6397 XXZZ=             -2.7271 YYZZ=             -1.6486
 XXYZ=             -0.0764 YYXZ=             -0.0032 ZZXY=              0.0087
 N-N= 1.628438374959D+01 E-N=-1.610548951881D+02  KE= 5.629824263727D+01
 1\1\GINC-NID00490\FOpt\RB3LYP\6-31G(d)\H4N1(1+)\VIRGANDH\13-Feb-2020\0
 \\#n B3LYP/6-31G(d) Opt\\NH4\\1,1\N,-8.1668332564,-4.8883485041,-3.745
 830073\H,-7.1427257084,-4.9149179715,-3.6462014206\H,-8.5811047069,-4.
 4457740707,-2.9140027848\H,-8.5274490342,-5.8478368209,-3.8394674025\H
 ,-8.4160572935,-4.3448626328,-4.5836483123\\Version=ES64L-G16RevA.03\S
 tate=1-A\HF=-56.8938891\RMSD=4.549e-09\RMSF=6.446e-05\Dipole=-0.000001
 6,0.0000011,0.0000002\Quadrupole=0.0000034,0.0000013,-0.0000047,0.0000
 019,-0.0000004,-0.0000002\PG=C01 [X(H4N1)]\\@


 NO HUMAN INVESTIGATION CAN BECOME REAL SCIENCE
 WITHOUT GOING THROUGH MATHEMATICAL PEOPLE.
 -- LEONARDO DA VINCI, IN "PENSIERI" CA. 1492
 Job cpu time:       0 days  0 hours  2 minutes 20.5 seconds.
 Elapsed time:       0 days  0 hours  0 minutes 12.6 seconds.
 File lengths (MBytes):  RWF=      6 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 16 at Thu Feb 13 17:26:03 2020.
