Entering Gaussian System, Link 0=g03
 Initial command:
 /apps/gaussian/g09_d01/g09/l1.exe "/home/scan-user-1/run/103338/Gau-14864.inp" -scrdir="/home/scan-user-1/run/103338/"
 Entering Link 1 = /apps/gaussian/g09_d01/g09/l1.exe PID=     14865.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 09 program.  It is based on
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492

 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------

 Cite this work as:
 Gaussian 09, Revision D.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
 
 ******************************************
 Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
                11-Dec-2014 
 ******************************************
 %nprocshared=4
 Will use up to    4 processors via shared memory.
 %mem=7000MB
 %NoSave
 %Chk=chk.chk
 %rwf=/tmp/pbs.8425643.cx1b/rwf
 ----------------------------------------------------------------
 # opt b3lyp/6-31g(d,p) geom=connectivity integral=grid=ultrafine
 ----------------------------------------------------------------
 1/14=-1,18=20,19=15,26=4,38=1,57=2/1,3;
 2/9=110,12=2,17=6,18=5,40=1/2;
 3/5=1,6=6,7=101,11=2,16=1,25=1,30=1,71=1,74=-5,75=-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;
 1/14=-1,18=20,19=15,26=4/3(2);
 2/9=110/2;
 99//99;
 2/9=110/2;
 3/5=1,6=6,7=101,11=2,16=1,25=1,30=1,71=1,74=-5,75=-5/1,2,3;
 4/5=5,16=3,69=1/1;
 5/5=2,38=5/2;
 7//1,2,3,16;
 1/14=-1,18=20,19=15,26=4/3(-5);
 2/9=110/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1/99;
 -------------------
 Title Card Required
 -------------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 N                    -0.19934   0.4485    0. 
 H                     0.13399  -0.49431   0. 
 H                     0.134     0.91991   0.8165 
 H                     0.134     0.91991  -0.8165 

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.0            estimate D2E/DX2                !
 ! R2    R(1,3)                  1.0            estimate D2E/DX2                !
 ! R3    R(1,4)                  1.0            estimate D2E/DX2                !
 ! A1    A(2,1,3)              109.4712         estimate D2E/DX2                !
 ! A2    A(2,1,4)              109.4712         estimate D2E/DX2                !
 ! A3    A(3,1,4)              109.4713         estimate D2E/DX2                !
 ! D1    D(2,1,4,3)           -120.0            estimate D2E/DX2                !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06
 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          7           0       -0.199336    0.448505    0.000000
      2          1           0        0.133986   -0.494308    0.000000
      3          1           0        0.134004    0.919905    0.816497
      4          1           0        0.134004    0.919905   -0.816497
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4
     1  N    0.000000
     2  H    1.000000   0.000000
     3  H    1.000000   1.632993   0.000000
     4  H    1.000000   1.632993   1.632993   0.000000
 Stoichiometry    H3N
 Framework group  C3V[C3(N),3SGV(H)]
 Deg. of freedom     2
 Full point group                 C3V     NOp   6
 Largest Abelian subgroup         CS      NOp   2
 Largest concise Abelian subgroup CS      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0        0.000000    0.000000    0.100000
      2          1           0        0.000000    0.942809   -0.233333
      3          1           0       -0.816497   -0.471405   -0.233333
      4          1           0        0.816497   -0.471405   -0.233333
 ---------------------------------------------------------------------
 Rotational constants (GHZ):    311.9520302    311.9520302    188.0456775
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are    20 symmetry adapted cartesian basis functions of A'  symmetry.
 There are    10 symmetry adapted cartesian basis functions of A"  symmetry.
 There are    20 symmetry adapted basis functions of A'  symmetry.
 There are    10 symmetry adapted basis functions of A"  symmetry.
    30 basis functions,    49 primitive gaussians,    30 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        12.0848827368 Hartrees.
 NAtoms=    4 NActive=    4 NUniq=    2 SFac= 4.00D+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=    30 RedAO= T EigKep=  2.82D-02  NBF=    20    10
 NBsUse=    30 1.00D-06 EigRej= -1.00D+00 NBFU=    20    10
 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.
 Initial guess orbital symmetries:
       Occupied  (A1) (A1) (E) (E) (A1)
       Virtual   (A1) (E) (E) (A1) (E) (E) (E) (E) (A1) (A1) (E)
                 (E) (A1) (A2) (E) (E) (E) (E) (A1) (E) (E) (A1)
                 (E) (E) (A1)
 The electronic state of the initial guess is 1-A1.
 Keep R1 ints in memory in symmetry-blocked form, NReq=993785.
 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) =  -56.5566412372     A.U. after    9 cycles
            NFock=  9  Conv=0.79D-08     -V/T= 2.0081

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (A1) (A1) (E) (E) (A1)
       Virtual   (A1) (E) (E) (E) (E) (A1) (A1) (E) (E) (A1) (E)
                 (E) (A1) (A2) (E) (E) (E) (E) (A1) (E) (E) (A1)
                 (E) (E) (A1)
 The electronic state is 1-A1.
 Alpha  occ. eigenvalues --  -14.29693  -0.84375  -0.45870  -0.45870  -0.24294
 Alpha virt. eigenvalues --    0.08637   0.17688   0.17688   0.68444   0.68444
 Alpha virt. eigenvalues --    0.71649   0.87451   0.88827   0.88827   1.11418
 Alpha virt. eigenvalues --    1.43213   1.43213   1.90050   2.08379   2.22045
 Alpha virt. eigenvalues --    2.22045   2.42718   2.42718   2.72733   3.01137
 Alpha virt. eigenvalues --    3.01137   3.26987   3.44047   3.44047   3.94352
          Condensed to atoms (all electrons):
               1          2          3          4
     1  N    6.677946   0.351508   0.351508   0.351508
     2  H    0.351508   0.468368  -0.032016  -0.032016
     3  H    0.351508  -0.032016   0.468368  -0.032016
     4  H    0.351508  -0.032016  -0.032016   0.468368
 Mulliken charges:
               1
     1  N   -0.732469
     2  H    0.244156
     3  H    0.244156
     4  H    0.244156
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  N    0.000000
 Electronic spatial extent (au):  <R**2>=             25.7940
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=             -1.6447  Tot=              1.6447
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.9781   YY=             -5.9781   ZZ=             -8.8083
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.9434   YY=              0.9434   ZZ=             -1.8868
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.8292  ZZZ=             -1.4591  XYY=              0.0000
  XXY=             -0.8292  XXZ=             -0.7682  XZZ=              0.0000  YZZ=              0.0000
  YYZ=             -0.7682  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -9.3201 YYYY=             -9.3201 ZZZZ=             -9.3093 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=             -0.2765 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -3.1067 XXZZ=             -3.2148 YYZZ=             -3.2148
 XXYZ=              0.2765 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 1.208488273676D+01 E-N=-1.560985933638D+02  KE= 5.610338290783D+01
 Symmetry A'   KE= 5.345703430011D+01
 Symmetry A"   KE= 2.646348607721D+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        7          -0.019938034    0.000000240    0.000000000
      2        1           0.006645889   -0.010145803   -0.000000001
      3        1           0.006646072    0.005072780    0.008786454
      4        1           0.006646072    0.005072782   -0.008786453
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.019938034 RMS     0.008360825

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.011780816 RMS     0.008023491
 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        R3        A1        A2
           R1           0.47688
           R2           0.00000   0.47688
           R3           0.00000   0.00000   0.47688
           A1           0.00000   0.00000   0.00000   0.16000
           A2           0.00000   0.00000   0.00000   0.00000   0.16000
           A3           0.00000   0.00000   0.00000   0.00000   0.00000
           D1           0.00000   0.00000   0.00000   0.00000   0.00000
                          A3        D1
           A3           0.16000
           D1           0.00000   0.01028
 ITU=  0
     Eigenvalues ---    0.05635   0.16000   0.16000   0.47688   0.47688
     Eigenvalues ---    0.47688
 RFO step:  Lambda=-1.35432516D-03 EMin= 5.63503295D-02
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.02018883 RMS(Int)=  0.00124233
 Iteration  2 RMS(Cart)=  0.00078107 RMS(Int)=  0.00088212
 Iteration  3 RMS(Cart)=  0.00000081 RMS(Int)=  0.00088212
 ClnCor:  largest displacement from symmetrization is 1.14D-03 for atom     4.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        1.88973   0.01178   0.00000   0.02463   0.02495   1.91468
    R2        1.88973   0.01178   0.00000   0.02463   0.02495   1.91468
    R3        1.88973   0.01178   0.00000   0.02463   0.02495   1.91468
    A1        1.91063  -0.00042   0.00000  -0.02749  -0.03047   1.88016
    A2        1.91063  -0.00293   0.00000  -0.03063  -0.03047   1.88016
    A3        1.91063  -0.00293   0.00000  -0.03063  -0.03047   1.88016
    D1       -2.09440   0.00411   0.00000   0.07118   0.07054  -2.02386
         Item               Value     Threshold  Converged?
 Maximum Force            0.011781     0.000450     NO 
 RMS     Force            0.008023     0.000300     NO 
 Maximum Displacement     0.046112     0.001800     NO 
 RMS     Displacement     0.020258     0.001200     NO 
 Predicted change in Energy=-6.694334D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -0.223737    0.448505    0.000000
      2          1           0        0.142079   -0.496356    0.000000
      3          1           0        0.142096    0.920929    0.818270
      4          1           0        0.142096    0.920929   -0.818270
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4
     1  N    0.000000
     2  H    1.013204   0.000000
     3  H    1.013204   1.636539   0.000000
     4  H    1.013204   1.636539   1.636539   0.000000
 Stoichiometry    H3N
 Framework group  C3V[C3(N),3SGV(H)]
 Deg. of freedom     2
 Full point group                 C3V     NOp   6
 Largest Abelian subgroup         CS      NOp   2
 Largest concise Abelian subgroup CS      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0        0.000000    0.000000    0.109748
      2          1           0        0.000000    0.944856   -0.256079
      3          1           0       -0.818270   -0.472428   -0.256079
      4          1           0        0.818270   -0.472428   -0.256079
 ---------------------------------------------------------------------
 Rotational constants (GHZ):    300.3939781    300.3939781    187.2316179
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are    20 symmetry adapted cartesian basis functions of A'  symmetry.
 There are    10 symmetry adapted cartesian basis functions of A"  symmetry.
 There are    20 symmetry adapted basis functions of A'  symmetry.
 There are    10 symmetry adapted basis functions of A"  symmetry.
    30 basis functions,    49 primitive gaussians,    30 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        11.9379516679 Hartrees.
 NAtoms=    4 NActive=    4 NUniq=    2 SFac= 4.00D+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=    30 RedAO= T EigKep=  2.86D-02  NBF=    20    10
 NBsUse=    30 1.00D-06 EigRej= -1.00D+00 NBFU=    20    10
 Initial guess from the checkpoint file:  "chk.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  (A1) (A1) (E) (E) (A1)
       Virtual   (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A)
                 (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A)
                 (?A) (?A) (?A) (?A) (?A)
 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 symmetry-blocked form, NReq=993785.
 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) =  -56.5575578883     A.U. after    9 cycles
            NFock=  9  Conv=0.26D-08     -V/T= 2.0090
 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        7          -0.007511304    0.000000090    0.000000000
      2        1           0.002503756   -0.000997959    0.000000000
      3        1           0.002503774    0.000498934    0.000864232
      4        1           0.002503774    0.000498934   -0.000864232
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.007511304 RMS     0.002553002

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002705304 RMS     0.001967863
 Search for a local minimum.
 Step number   2 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    1    2
 DE= -9.17D-04 DEPred=-6.69D-04 R= 1.37D+00
 TightC=F SS=  1.41D+00  RLast= 9.81D-02 DXNew= 5.0454D-01 2.9438D-01
 Trust test= 1.37D+00 RLast= 9.81D-02 DXMaxT set to 3.00D-01
 The second derivative matrix:
                          R1        R2        R3        A1        A2
           R1           0.48603
           R2           0.00915   0.48603
           R3           0.00915   0.00915   0.48603
           A1           0.04166   0.04166   0.04166   0.14287
           A2           0.03340   0.03340   0.03340  -0.01712   0.14351
           A3           0.03340   0.03340   0.03340  -0.01712  -0.01649
           D1           0.00946   0.00946   0.00946   0.00253   0.00136
                          A3        D1
           A3           0.14351
           D1           0.00136   0.01211
 ITU=  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.03863   0.15225   0.16000   0.47688   0.47688
     Eigenvalues ---    0.51190
 RFO step:  Lambda=-2.10501716D-04 EMin= 3.86279158D-02
 Quartic linear search produced a step of  0.54208.
 Iteration  1 RMS(Cart)=  0.02411252 RMS(Int)=  0.00193370
 Iteration  2 RMS(Cart)=  0.00095116 RMS(Int)=  0.00164804
 Iteration  3 RMS(Cart)=  0.00000027 RMS(Int)=  0.00164804
 ClnCor:  largest displacement from symmetrization is 7.44D-05 for atom     4.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        1.91468   0.00183   0.01353  -0.00342   0.01009   1.92477
    R2        1.91468   0.00183   0.01353  -0.00342   0.01009   1.92477
    R3        1.91468   0.00183   0.01353  -0.00342   0.01009   1.92477
    A1        1.88016  -0.00041  -0.01652  -0.01946  -0.03894   1.84122
    A2        1.88016  -0.00218  -0.01652  -0.02126  -0.03894   1.84122
    A3        1.88016  -0.00218  -0.01652  -0.02126  -0.03894   1.84122
    D1       -2.02386   0.00271   0.03824   0.04446   0.07994  -1.94392
         Item               Value     Threshold  Converged?
 Maximum Force            0.002705     0.000450     NO 
 RMS     Force            0.001968     0.000300     NO 
 Maximum Displacement     0.050281     0.001800     NO 
 RMS     Displacement     0.024446     0.001200     NO 
 Predicted change in Energy=-2.142039D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -0.250344    0.448506    0.000000
      2          1           0        0.150954   -0.487654    0.000000
      3          1           0        0.150971    0.916578    0.810734
      4          1           0        0.150971    0.916578   -0.810734
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4
     1  N    0.000000
     2  H    1.018546   0.000000
     3  H    1.018546   1.621468   0.000000
     4  H    1.018546   1.621468   1.621468   0.000000
 Stoichiometry    H3N
 Framework group  C3V[C3(N),3SGV(H)]
 Deg. of freedom     2
 Full point group                 C3V     NOp   6
 Largest Abelian subgroup         CS      NOp   2
 Largest concise Abelian subgroup CS      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0        0.000000    0.000000    0.120393
      2          1           0        0.000000    0.936155   -0.280917
      3          1           0       -0.810734   -0.468078   -0.280917
      4          1           0        0.810734   -0.468078   -0.280917
 ---------------------------------------------------------------------
 Rotational constants (GHZ):    292.9175332    292.9175332    190.7283292
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are    20 symmetry adapted cartesian basis functions of A'  symmetry.
 There are    10 symmetry adapted cartesian basis functions of A"  symmetry.
 There are    20 symmetry adapted basis functions of A'  symmetry.
 There are    10 symmetry adapted basis functions of A"  symmetry.
    30 basis functions,    49 primitive gaussians,    30 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        11.8894499855 Hartrees.
 NAtoms=    4 NActive=    4 NUniq=    2 SFac= 4.00D+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=    30 RedAO= T EigKep=  2.83D-02  NBF=    20    10
 NBsUse=    30 1.00D-06 EigRej= -1.00D+00 NBFU=    20    10
 Initial guess from the checkpoint file:  "chk.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  (A1) (A1) (E) (E) (A1)
       Virtual   (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A)
                 (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A)
                 (?A) (?A) (?A) (?A) (?A)
 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 symmetry-blocked form, NReq=993785.
 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) =  -56.5577653600     A.U. after    9 cycles
            NFock=  9  Conv=0.55D-08     -V/T= 2.0091
 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        7           0.000990933   -0.000000012    0.000000000
      2        1          -0.000330310    0.000080398    0.000000000
      3        1          -0.000330311   -0.000040193   -0.000069623
      4        1          -0.000330311   -0.000040193    0.000069623
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000990933 RMS     0.000332748

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000347809 RMS     0.000256444
 Search for a local minimum.
 Step number   3 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    1    2    3
 DE= -2.07D-04 DEPred=-2.14D-04 R= 9.69D-01
 TightC=F SS=  1.41D+00  RLast= 1.06D-01 DXNew= 5.0454D-01 3.1812D-01
 Trust test= 9.69D-01 RLast= 1.06D-01 DXMaxT set to 3.18D-01
 The second derivative matrix:
                          R1        R2        R3        A1        A2
           R1           0.48955
           R2           0.01267   0.48955
           R3           0.01267   0.01267   0.48955
           A1           0.05761   0.05761   0.05761   0.13343
           A2           0.03711   0.03711   0.03711  -0.02934   0.13672
           A3           0.03711   0.03711   0.03711  -0.02934  -0.02328
           D1           0.02470   0.02470   0.02470   0.00854  -0.00443
                          A3        D1
           A3           0.13672
           D1          -0.00443   0.02868
 ITU=  1  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.04271   0.15085   0.16000   0.47688   0.47688
     Eigenvalues ---    0.52281
 RFO step:  Lambda=-1.12775384D-08 EMin= 4.27071544D-02
 Quartic linear search produced a step of -0.10850.
 Iteration  1 RMS(Cart)=  0.00271880 RMS(Int)=  0.00011250
 Iteration  2 RMS(Cart)=  0.00001075 RMS(Int)=  0.00011188
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00011188
 ClnCor:  largest displacement from symmetrization is 7.67D-05 for atom     4.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        1.92477  -0.00020  -0.00110   0.00004  -0.00108   1.92370
    R2        1.92477  -0.00020  -0.00110   0.00004  -0.00108   1.92370
    R3        1.92477  -0.00020  -0.00110   0.00004  -0.00108   1.92370
    A1        1.84122   0.00008   0.00422  -0.00015   0.00437   1.84559
    A2        1.84122   0.00032   0.00422   0.00012   0.00437   1.84559
    A3        1.84122   0.00032   0.00422   0.00012   0.00437   1.84559
    D1       -1.94392  -0.00035  -0.00867   0.00007  -0.00847  -1.95239
         Item               Value     Threshold  Converged?
 Maximum Force            0.000348     0.000450     YES
 RMS     Force            0.000256     0.000300     YES
 Maximum Displacement     0.005481     0.001800     NO 
 RMS     Displacement     0.002707     0.001200     NO 
 Predicted change in Energy=-3.691772D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -0.247444    0.448505    0.000000
      2          1           0        0.149990   -0.488682    0.000000
      3          1           0        0.150007    0.917092    0.811625
      4          1           0        0.150007    0.917092   -0.811624
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4
     1  N    0.000000
     2  H    1.017976   0.000000
     3  H    1.017976   1.623249   0.000000
     4  H    1.017976   1.623249   1.623249   0.000000
 Stoichiometry    H3N
 Framework group  C3V[C3(N),3SGV(H)]
 Deg. of freedom     2
 Full point group                 C3V     NOp   6
 Largest Abelian subgroup         CS      NOp   2
 Largest concise Abelian subgroup CS      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0        0.000000    0.000000    0.119234
      2          1           0        0.000000    0.937183   -0.278212
      3          1           0       -0.811624   -0.468592   -0.278212
      4          1           0        0.811624   -0.468592   -0.278212
 ---------------------------------------------------------------------
 Rotational constants (GHZ):    293.7282784    293.7282784    190.3100871
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are    20 symmetry adapted cartesian basis functions of A'  symmetry.
 There are    10 symmetry adapted cartesian basis functions of A"  symmetry.
 There are    20 symmetry adapted basis functions of A'  symmetry.
 There are    10 symmetry adapted basis functions of A"  symmetry.
    30 basis functions,    49 primitive gaussians,    30 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        11.8944811631 Hartrees.
 NAtoms=    4 NActive=    4 NUniq=    2 SFac= 4.00D+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=    30 RedAO= T EigKep=  2.83D-02  NBF=    20    10
 NBsUse=    30 1.00D-06 EigRej= -1.00D+00 NBFU=    20    10
 Initial guess from the checkpoint file:  "chk.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  (A1) (A1) (E) (E) (A1)
       Virtual   (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A)
                 (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A)
                 (?A) (?A) (?A) (?A) (?A)
 Keep R1 ints in memory in symmetry-blocked form, NReq=993785.
 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) =  -56.5577687304     A.U. after    7 cycles
            NFock=  7  Conv=0.71D-09     -V/T= 2.0091
 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        7           0.000004868    0.000000000    0.000000000
      2        1          -0.000001622    0.000005584    0.000000000
      3        1          -0.000001623   -0.000002792   -0.000004836
      4        1          -0.000001623   -0.000002792    0.000004836
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000005584 RMS     0.000003229

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000005775 RMS     0.000003820
 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    1    2    3    4
 DE= -3.37D-06 DEPred=-3.69D-06 R= 9.13D-01
 TightC=F SS=  1.41D+00  RLast= 1.15D-02 DXNew= 5.3501D-01 3.4534D-02
 Trust test= 9.13D-01 RLast= 1.15D-02 DXMaxT set to 3.18D-01
 The second derivative matrix:
                          R1        R2        R3        A1        A2
           R1           0.48894
           R2           0.01205   0.48894
           R3           0.01205   0.01205   0.48894
           A1           0.04743   0.04743   0.04743   0.12692
           A2           0.03314   0.03314   0.03314  -0.03255   0.13732
           A3           0.03314   0.03314   0.03314  -0.03255  -0.02268
           D1           0.01684   0.01684   0.01684   0.00472  -0.00853
                          A3        D1
           A3           0.13732
           D1          -0.00853   0.02838
 ITU=  1  1  1  0
     Eigenvalues ---    0.04613   0.15381   0.16000   0.47688   0.47688
     Eigenvalues ---    0.52041
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     4    3
 RFO step:  Lambda= 0.00000000D+00.
 DidBck=F Rises=F RFO-DIIS coefs:    1.00047   -0.00047
 Iteration  1 RMS(Cart)=  0.00000760 RMS(Int)=  0.00000001
 Iteration  2 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000001
 ClnCor:  largest displacement from symmetrization is 2.71D-07 for atom     4.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        1.92370  -0.00001   0.00000  -0.00001  -0.00001   1.92369
    R2        1.92370  -0.00001   0.00000  -0.00001  -0.00001   1.92369
    R3        1.92370  -0.00001   0.00000  -0.00001  -0.00001   1.92369
    A1        1.84559   0.00000   0.00000   0.00000   0.00000   1.84559
    A2        1.84559   0.00000   0.00000   0.00000   0.00000   1.84559
    A3        1.84559   0.00000   0.00000   0.00000   0.00000   1.84559
    D1       -1.95239   0.00000   0.00000   0.00001   0.00000  -1.95239
         Item               Value     Threshold  Converged?
 Maximum Force            0.000006     0.000450     YES
 RMS     Force            0.000004     0.000300     YES
 Maximum Displacement     0.000012     0.001800     YES
 RMS     Displacement     0.000008     0.001200     YES
 Predicted change in Energy=-9.843957D-11
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.018          -DE/DX =    0.0                 !
 ! R2    R(1,3)                  1.018          -DE/DX =    0.0                 !
 ! R3    R(1,4)                  1.018          -DE/DX =    0.0                 !
 ! A1    A(2,1,3)              105.7446         -DE/DX =    0.0                 !
 ! A2    A(2,1,4)              105.7446         -DE/DX =    0.0                 !
 ! A3    A(3,1,4)              105.7446         -DE/DX =    0.0                 !
 ! D1    D(2,1,4,3)           -111.8637         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -0.247444    0.448505    0.000000
      2          1           0        0.149990   -0.488682    0.000000
      3          1           0        0.150007    0.917092    0.811625
      4          1           0        0.150007    0.917092   -0.811624
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4
     1  N    0.000000
     2  H    1.017976   0.000000
     3  H    1.017976   1.623249   0.000000
     4  H    1.017976   1.623249   1.623249   0.000000
 Stoichiometry    H3N
 Framework group  C3V[C3(N),3SGV(H)]
 Deg. of freedom     2
 Full point group                 C3V     NOp   6
 Largest Abelian subgroup         CS      NOp   2
 Largest concise Abelian subgroup CS      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0        0.000000    0.000000    0.119234
      2          1           0        0.000000    0.937183   -0.278212
      3          1           0       -0.811624   -0.468592   -0.278212
      4          1           0        0.811624   -0.468592   -0.278212
 ---------------------------------------------------------------------
 Rotational constants (GHZ):    293.7282784    293.7282784    190.3100871

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (A1) (A1) (E) (E) (A1)
       Virtual   (A1) (E) (E) (E) (E) (A1) (E) (E) (A1) (A1) (E)
                 (E) (A1) (A2) (E) (E) (E) (E) (A1) (E) (E) (A1)
                 (E) (E) (A1)
 The electronic state is 1-A1.
 Alpha  occ. eigenvalues --  -14.30568  -0.84466  -0.45030  -0.45030  -0.25318
 Alpha virt. eigenvalues --    0.07985   0.16923   0.16923   0.67851   0.67851
 Alpha virt. eigenvalues --    0.71437   0.87555   0.87555   0.88553   1.13372
 Alpha virt. eigenvalues --    1.41878   1.41878   1.83050   2.09377   2.24221
 Alpha virt. eigenvalues --    2.24221   2.34639   2.34639   2.79256   2.95068
 Alpha virt. eigenvalues --    2.95068   3.19852   3.42896   3.42896   3.90461
          Condensed to atoms (all electrons):
               1          2          3          4
     1  N    6.703111   0.337973   0.337973   0.337973
     2  H    0.337973   0.487754  -0.032369  -0.032369
     3  H    0.337973  -0.032369   0.487754  -0.032369
     4  H    0.337973  -0.032369  -0.032369   0.487754
 Mulliken charges:
               1
     1  N   -0.717030
     2  H    0.239010
     3  H    0.239010
     4  H    0.239010
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  N    0.000000
 Electronic spatial extent (au):  <R**2>=             26.2374
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=             -1.8465  Tot=              1.8465
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.1591   YY=             -6.1591   ZZ=             -8.7225
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.8545   YY=              0.8545   ZZ=             -1.7089
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.7689  ZZZ=             -1.6140  XYY=              0.0000
  XXY=             -0.7689  XXZ=             -0.8495  XZZ=              0.0000  YZZ=              0.0000
  YYZ=             -0.8495  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -9.7162 YYYY=             -9.7162 ZZZZ=             -9.7131 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=             -0.3115 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -3.2387 XXZZ=             -3.2736 YYZZ=             -3.2736
 XXYZ=              0.3115 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 1.189448116308D+01 E-N=-1.556684870211D+02  KE= 5.604583044048D+01
 Symmetry A'   KE= 5.342560881328D+01
 Symmetry A"   KE= 2.620221627193D+00
 1\1\GINC-CX1-29-15-1\FOpt\RB3LYP\6-31G(d,p)\H3N1\SCAN-USER-1\11-Dec-20
 14\0\\# opt b3lyp/6-31g(d,p) geom=connectivity integral=grid=ultrafine
 \\Title Card Required\\0,1\N,-0.2474441273,0.4485054891,0.\H,0.1499903
 534,-0.488682499,-0.0000001219\H,0.1500072876,0.9170921961,0.811624520
 6\H,0.1500072876,0.9170924073,-0.8116243987\\Version=ES64L-G09RevD.01\
 State=1-A1\HF=-56.5577687\RMSD=7.074e-10\RMSF=3.229e-06\Dipole=0.72645
 5,-0.0000088,0.\Quadrupole=-1.2705404,0.6352702,0.6352702,0.000023,0.,
 0.\PG=C03V [C3(N1),3SGV(H1)]\\@

 A MATHEMATICIAN IS A MACHINE FOR TURNING COFFEE INTO THEOREMS.
     -- QUOTED BY PAUL ERDOS
 Job cpu time:       0 days  0 hours  0 minutes 21.0 seconds.
 File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      2 Scr=      2
 Normal termination of Gaussian 09 at Thu Dec 11 15:07:53 2014.