View source for Log. File1Ethylene

 Entering Gaussian System, Link 0=g03
 Initial command:
 /apps/gaussian/g09_c01/g09/l1.exe /home/scan-user-1/run/74355/Gau-22007.inp -scrdir=/home/scan-user-1/run/74355/
 Entering Link 1 = /apps/gaussian/g09_c01/g09/l1.exe PID=     22008.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2011,
            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.),
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 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
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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
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 business of creating and licensing software in the field of
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 Cite this work as:
 Gaussian 09, Revision C.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 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, 2010.
 
 ******************************************
 Gaussian 09:  EM64L-G09RevC.01 23-Sep-2011
                12-Mar-2013 
 ******************************************
 %nprocshared=4
 Will use up to    4 processors via shared memory.
 %mem=7000MB
 %NoSave
 %Chk=chk.chk
 %rwf=/tmp/pbs.4015077.cx1b/rwf
 ---------------------------
 # opt am1 geom=connectivity
 ---------------------------
 1/14=-1,18=20,19=15,26=1,38=1,57=2/1,3;
 2/9=110,12=2,17=6,18=5,40=1/2;
 3/5=2,16=1,25=1,41=700000,71=1/1,2,3;
 4/35=1/1;
 5/5=2,35=1,38=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=15/3(2);
 2/9=110/2;
 99//99;
 2/9=110/2;
 3/5=2,16=1,25=1,41=700000,71=1,135=20/1,2,3;
 4/5=5,16=3,35=1/1;
 5/5=2,35=1,38=5/2;
 7//1,2,3,16;
 1/14=-1,18=20,19=15/3(-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
 -------------------
 Charge =  0 Multiplicity = 1
 Symbolic Z-Matrix:
 C                    -0.29508   0.2459    0. 
 C                     1.03083   0.2459    0. 
 H                    -0.83008   1.17255   0. 
 H                     1.62442  -0.67814  -0.00002 
 H                     1.62445   1.16992   0.00003 
 H                    -0.83008  -0.68075   0. 
 

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3259         estimate D2E/DX2                !
 ! R2    R(1,3)                  1.07           estimate D2E/DX2                !
 ! R3    R(1,6)                  1.07           estimate D2E/DX2                !
 ! R4    R(2,4)                  1.0983         estimate D2E/DX2                !
 ! R5    R(2,5)                  1.0983         estimate D2E/DX2                !
 ! A1    A(2,1,3)              120.0            estimate D2E/DX2                !
 ! A2    A(2,1,6)              120.0            estimate D2E/DX2                !
 ! A3    A(3,1,6)              120.0            estimate D2E/DX2                !
 ! A4    A(1,2,4)              122.7159         estimate D2E/DX2                !
 ! A5    A(1,2,5)              122.718          estimate D2E/DX2                !
 ! A6    A(4,2,5)              114.5661         estimate D2E/DX2                !
 ! D1    D(3,1,2,4)           -179.9988         estimate D2E/DX2                !
 ! D2    D(3,1,2,5)              0.0016         estimate D2E/DX2                !
 ! D3    D(6,1,2,4)              0.0012         estimate D2E/DX2                !
 ! D4    D(6,1,2,5)           -179.9984         estimate D2E/DX2                !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07
 Number of steps in this run=     25 maximum allowed number of steps=    100.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.295082    0.245902    0.000000
      2          6           0        1.030834    0.245902    0.000000
      3          1           0       -0.830082    1.172549    0.000000
      4          1           0        1.624419   -0.678136   -0.000019
      5          1           0        1.624450    1.169916    0.000026
      6          1           0       -0.830082   -0.680746    0.000000
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.325916   0.000000
     3  H    1.070000   2.078866   0.000000
     4  H    2.130336   1.098267   3.074022   0.000000
     5  H    2.130353   1.098263   2.454533   1.848052   0.000000
     6  H    1.070000   2.078866   1.853294   2.454502   3.074032
                    6
     6  H    0.000000
 Stoichiometry    C2H4
 Framework group  C1[X(C2H4)]
 Deg. of freedom    12
 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          6           0        0.670283   -0.000001    0.000000
      2          6           0       -0.655633   -0.000002    0.000000
      3          1           0        1.205283   -0.926648    0.000000
      4          1           0       -1.249218    0.924036   -0.000019
      5          1           0       -1.249249   -0.924016    0.000026
      6          1           0        1.205283    0.926646    0.000000
 ---------------------------------------------------------------------
 Rotational constants (GHZ):    146.4103299     30.4022538     25.1747015
 Standard basis: VSTO-6G (5D, 7F)
 There are    12 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    131072 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
    12 basis functions,    72 primitive gaussians,    12 cartesian basis functions
     6 alpha electrons        6 beta electrons
       nuclear repulsion energy        27.2347555292 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=    12 RedAO= F  NBF=    12
 NBsUse=    12 1.00D-04 NBFU=    12
 Simple Huckel Guess.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A)
 The electronic state of the initial guess is 1-A.
 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.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=878938.
 SCF Done:  E(RAM1) =  0.279092366852E-01 A.U. after   10 cycles
             Convg  =    0.7742D-08             -V/T =  1.0039

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --   -1.22671  -0.80628  -0.58831  -0.52290  -0.43958
 Alpha  occ. eigenvalues --   -0.38851
 Alpha virt. eigenvalues --    0.05197   0.15190   0.16417   0.18779   0.20764
 Alpha virt. eigenvalues --    0.21132
          Condensed to atoms (all electrons):
              1          2          3          4          5          6
     1  C    4.214201   0.000000   0.000000   0.000000   0.000000   0.000000
     2  C    0.000000   4.222151   0.000000   0.000000   0.000000   0.000000
     3  H    0.000000   0.000000   0.889502   0.000000   0.000000   0.000000
     4  H    0.000000   0.000000   0.000000   0.892324   0.000000   0.000000
     5  H    0.000000   0.000000   0.000000   0.000000   0.892320   0.000000
     6  H    0.000000   0.000000   0.000000   0.000000   0.000000   0.889501
 Mulliken atomic charges:
              1
     1  C   -0.214201
     2  C   -0.222151
     3  H    0.110498
     4  H    0.107676
     5  H    0.107680
     6  H    0.110499
 Sum of Mulliken atomic charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
              1
     1  C    0.006796
     2  C   -0.006796
 Sum of Mulliken charges with hydrogens summed into heavy atoms =   0.00000
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0350    Y=              0.0000    Z=              0.0000  Tot=              0.0350
 N-N= 2.723475552923D+01 E-N=-3.936267186081D+01  KE=-7.106418210976D+00
 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        6           0.024304171    0.000001754   -0.000000091
      2        6           0.007112004   -0.000003603    0.000000586
      3        1          -0.016099802    0.014504254    0.000000584
      4        1           0.000392224    0.000049555    0.000000411
      5        1           0.000391029   -0.000047725   -0.000000834
      6        1          -0.016099626   -0.014504236   -0.000000656
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.024304171 RMS     0.009371152

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Internal  Forces:  Max     0.020610954 RMS     0.008304173
 Search for a local minimum.
 Step number   1 out of a maximum of   25
 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        R5
           R1           0.60481
           R2           0.00000   0.37230
           R3           0.00000   0.00000   0.37230
           R4           0.00000   0.00000   0.00000   0.33875
           R5           0.00000   0.00000   0.00000   0.00000   0.33875
           A1           0.00000   0.00000   0.00000   0.00000   0.00000
           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
                          A1        A2        A3        A4        A5
           A1           0.16000
           A2           0.00000   0.16000
           A3           0.00000   0.00000   0.16000
           A4           0.00000   0.00000   0.00000   0.16000
           A5           0.00000   0.00000   0.00000   0.00000   0.16000
           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
                          A6        D1        D2        D3        D4
           A6           0.16000
           D1           0.00000   0.03069
           D2           0.00000   0.00000   0.03069
           D3           0.00000   0.00000   0.00000   0.03069
           D4           0.00000   0.00000   0.00000   0.00000   0.03069
 ITU=  0
     Eigenvalues ---    0.03069   0.03069   0.03069   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.33875   0.33875   0.37230
     Eigenvalues ---    0.37230   0.60481
 RFO step:  Lambda=-3.11609149D-03 EMin= 3.06874503D-02
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.02713986 RMS(Int)=  0.00054118
 Iteration  2 RMS(Cart)=  0.00059265 RMS(Int)=  0.00000026
 Iteration  3 RMS(Cart)=  0.00000024 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.50562   0.00790   0.00000   0.01299   0.01299   2.51861
    R2        2.02201   0.02061   0.00000   0.05490   0.05490   2.07691
    R3        2.02201   0.02061   0.00000   0.05490   0.05490   2.07691
    R4        2.07542   0.00017   0.00000   0.00050   0.00050   2.07592
    R5        2.07542   0.00017   0.00000   0.00050   0.00050   2.07592
    A1        2.09440   0.00451   0.00000   0.02765   0.02765   2.12204
    A2        2.09440   0.00451   0.00000   0.02765   0.02765   2.12204
    A3        2.09440  -0.00902   0.00000  -0.05529  -0.05529   2.03910
    A4        2.14180   0.00025   0.00000   0.00152   0.00152   2.14332
    A5        2.14183   0.00024   0.00000   0.00150   0.00150   2.14333
    A6        1.99956  -0.00049   0.00000  -0.00302  -0.00302   1.99654
    D1       -3.14157   0.00000   0.00000  -0.00001  -0.00001  -3.14158
    D2        0.00003   0.00000   0.00000  -0.00002  -0.00002   0.00001
    D3        0.00002   0.00000   0.00000  -0.00001  -0.00001   0.00001
    D4       -3.14156   0.00000   0.00000  -0.00002  -0.00002  -3.14159
         Item               Value     Threshold  Converged?
 Maximum Force            0.020611     0.000450     NO 
 RMS     Force            0.008304     0.000300     NO 
 Maximum Displacement     0.058650     0.001800     NO 
 RMS     Displacement     0.027267     0.001200     NO 
 Predicted change in Energy=-1.574866D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.285488    0.245902    0.000001
      2          6           0        1.047300    0.245896    0.000003
      3          1           0       -0.861112    1.182157    0.000007
      4          1           0        1.642430   -0.677461   -0.000013
      5          1           0        1.642446    1.169241    0.000017
      6          1           0       -0.861118   -0.690350   -0.000008
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.332789   0.000000
     3  H    1.099053   2.125705   0.000000
     4  H    2.137631   1.098530   3.118638   0.000000
     5  H    2.137635   1.098528   2.503591   1.846703   0.000000
     6  H    1.099052   2.125704   1.872507   2.503581   3.118639
                    6
     6  H    0.000000
 Stoichiometry    C2H4
 Framework group  C1[X(C2H4)]
 Deg. of freedom    12
 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          6           0        0.668833    0.000000   -0.000001
      2          6           0       -0.663955   -0.000001    0.000001
      3          1           0        1.244461   -0.936253    0.000005
      4          1           0       -1.259089    0.923354   -0.000014
      5          1           0       -1.259097   -0.923348    0.000016
      6          1           0        1.244459    0.936254   -0.000010
 ---------------------------------------------------------------------
 Rotational constants (GHZ):    145.0006062     29.7717818     24.7002770
 Standard basis: VSTO-6G (5D, 7F)
 There are    12 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    131072 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
    12 basis functions,    72 primitive gaussians,    12 cartesian basis functions
     6 alpha electrons        6 beta electrons
       nuclear repulsion energy        27.1063965136 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=    12 RedAO= F  NBF=    12
 NBsUse=    12 1.00D-04 NBFU=    12
 Initial guess read from the read-write file.
 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  (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A)
 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.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=878938.
 SCF Done:  E(RAM1) =  0.263568531618E-01 A.U. after   10 cycles
             Convg  =    0.2786D-08             -V/T =  1.0037
 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        6           0.011819798    0.000000393   -0.000000086
      2        6          -0.007554691   -0.000001425   -0.000000252
      3        1          -0.001544748   -0.002417541    0.000000254
      4        1          -0.000587790    0.000142161    0.000000316
      5        1          -0.000587706   -0.000141065   -0.000000109
      6        1          -0.001544862    0.002417476   -0.000000123
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.011819798 RMS     0.003447814

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.008730188 RMS     0.002574224
 Search for a local minimum.
 Step number   2 out of a maximum of   25
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    1    2
 DE= -1.55D-03 DEPred=-1.57D-03 R= 9.86D-01
 SS=  1.41D+00  RLast= 1.04D-01 DXNew= 5.0454D-01 3.1173D-01
 Trust test= 9.86D-01 RLast= 1.04D-01 DXMaxT set to 3.12D-01
 The second derivative matrix:
                          R1        R2        R3        R4        R5
           R1           0.67473
           R2           0.06618   0.39227
           R3           0.06618   0.01997   0.39227
           R4           0.00286   0.00321   0.00321   0.33886
           R5           0.00286   0.00320   0.00320   0.00011   0.33886
           A1           0.00345  -0.00997  -0.00997   0.00030   0.00030
           A2           0.00345  -0.00997  -0.00997   0.00030   0.00030
           A3          -0.00691   0.01994   0.01994  -0.00059  -0.00059
           A4           0.00228   0.00220   0.00220   0.00009   0.00009
           A5           0.00228   0.00221   0.00221   0.00009   0.00009
           A6          -0.00456  -0.00441  -0.00441  -0.00019  -0.00019
           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
                          A1        A2        A3        A4        A5
           A1           0.15606
           A2          -0.00394   0.15606
           A3           0.00787   0.00787   0.14425
           A4           0.00013   0.00013  -0.00025   0.16007
           A5           0.00013   0.00013  -0.00026   0.00007   0.16007
           A6          -0.00025  -0.00025   0.00051  -0.00015  -0.00015
           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
                          A6        D1        D2        D3        D4
           A6           0.16030
           D1           0.00000   0.03069
           D2           0.00000   0.00000   0.03069
           D3           0.00000   0.00000   0.00000   0.03069
           D4           0.00000   0.00000   0.00000   0.00000   0.03069
 ITU=  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.03069   0.03069   0.03069   0.13125   0.16000
     Eigenvalues ---    0.16000   0.16029   0.33845   0.33875   0.37230
     Eigenvalues ---    0.38788   0.70489
 RFO step:  Lambda=-2.65623846D-04 EMin= 3.06874501D-02
 Quartic linear search produced a step of  0.01471.
 Iteration  1 RMS(Cart)=  0.00731824 RMS(Int)=  0.00007099
 Iteration  2 RMS(Cart)=  0.00006861 RMS(Int)=  0.00000000
 Iteration  3 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        2.51861  -0.00873   0.00019  -0.01374  -0.01354   2.50506
    R2        2.07691  -0.00125   0.00081   0.00042   0.00123   2.07814
    R3        2.07691  -0.00125   0.00081   0.00042   0.00123   2.07814
    R4        2.07592  -0.00044   0.00001  -0.00128  -0.00127   2.07465
    R5        2.07592  -0.00044   0.00001  -0.00127  -0.00127   2.07465
    A1        2.12204   0.00179   0.00041   0.01326   0.01366   2.13571
    A2        2.12204   0.00179   0.00041   0.01326   0.01366   2.13571
    A3        2.03910  -0.00358  -0.00081  -0.02652  -0.02733   2.01177
    A4        2.14332  -0.00029   0.00002  -0.00172  -0.00170   2.14162
    A5        2.14333  -0.00029   0.00002  -0.00173  -0.00170   2.14162
    A6        1.99654   0.00058  -0.00004   0.00344   0.00340   1.99994
    D1       -3.14158   0.00000   0.00000  -0.00001  -0.00001   3.14159
    D2        0.00001   0.00000   0.00000  -0.00001  -0.00001   0.00000
    D3        0.00001   0.00000   0.00000  -0.00001  -0.00001   0.00000
    D4       -3.14159   0.00000   0.00000   0.00000   0.00000  -3.14159
         Item               Value     Threshold  Converged?
 Maximum Force            0.008730     0.000450     NO 
 RMS     Force            0.002574     0.000300     NO 
 Maximum Displacement     0.016233     0.001800     NO 
 RMS     Displacement     0.007348     0.001200     NO 
 Predicted change in Energy=-1.328213D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.276898    0.245902    0.000000
      2          6           0        1.048723    0.245894    0.000002
      3          1           0       -0.865607    1.174754    0.000011
      4          1           0        1.641922   -0.677907   -0.000009
      5          1           0        1.641933    1.169688    0.000015
      6          1           0       -0.865616   -0.682945   -0.000011
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.325621   0.000000
     3  H    1.099702   2.127778   0.000000
     4  H    2.129623   1.097859   3.117700   0.000000
     5  H    2.129623   1.097858   2.507546   1.847595   0.000000
     6  H    1.099702   2.127778   1.857699   2.507544   3.117700
                    6
     6  H    0.000000
 Stoichiometry    C2H4
 Framework group  C1[X(C2H4)]
 Deg. of freedom    12
 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          6           0        0.663372    0.000000   -0.000001
      2          6           0       -0.662249    0.000000    0.000001
      3          1           0        1.252086   -0.928849    0.000010
      4          1           0       -1.255454    0.923798   -0.000009
      5          1           0       -1.255454   -0.923797    0.000014
      6          1           0        1.252085    0.928850   -0.000012
 ---------------------------------------------------------------------
 Rotational constants (GHZ):    146.0977527     29.9384430     24.8468175
 Standard basis: VSTO-6G (5D, 7F)
 There are    12 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    131072 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
    12 basis functions,    72 primitive gaussians,    12 cartesian basis functions
     6 alpha electrons        6 beta electrons
       nuclear repulsion energy        27.1317872058 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=    12 RedAO= F  NBF=    12
 NBsUse=    12 1.00D-04 NBFU=    12
 Initial guess read from the read-write file.
 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  (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A)
 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.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=878938.
 SCF Done:  E(RAM1) =  0.262057381877E-01 A.U. after    9 cycles
             Convg  =    0.3181D-08             -V/T =  1.0037
 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        6          -0.000624933   -0.000000015    0.000000131
      2        6           0.000557035   -0.000000210    0.000000095
      3        1          -0.000201593   -0.001438689   -0.000000057
      4        1           0.000235522   -0.000240806   -0.000000032
      5        1           0.000235598    0.000241012   -0.000000069
      6        1          -0.000201630    0.001438708   -0.000000068
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001438708 RMS     0.000534836

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001302964 RMS     0.000647392
 Search for a local minimum.
 Step number   3 out of a maximum of   25
 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= -1.51D-04 DEPred=-1.33D-04 R= 1.14D+00
 SS=  1.41D+00  RLast= 3.64D-02 DXNew= 5.2426D-01 1.0930D-01
 Trust test= 1.14D+00 RLast= 3.64D-02 DXMaxT set to 3.12D-01
 The second derivative matrix:
                          R1        R2        R3        R4        R5
           R1           0.78051
           R2           0.02277   0.40047
           R3           0.02276   0.02817   0.40047
           R4           0.01876  -0.00077  -0.00077   0.34058
           R5           0.01876  -0.00078  -0.00078   0.00183   0.34058
           A1           0.01060  -0.00434  -0.00434  -0.00086  -0.00087
           A2           0.01060  -0.00434  -0.00434  -0.00086  -0.00087
           A3          -0.02120   0.00868   0.00868   0.00172   0.00173
           A4           0.00629   0.00068   0.00068   0.00066   0.00066
           A5           0.00629   0.00068   0.00068   0.00066   0.00066
           A6          -0.01259  -0.00136  -0.00136  -0.00133  -0.00133
           D1           0.00001   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   0.00000   0.00000   0.00000   0.00000
                          A1        A2        A3        A4        A5
           A1           0.14908
           A2          -0.01092   0.14908
           A3           0.02184   0.02184   0.11632
           A4           0.00029   0.00029  -0.00057   0.16022
           A5           0.00029   0.00029  -0.00058   0.00022   0.16023
           A6          -0.00058  -0.00058   0.00116  -0.00045  -0.00045
           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
                          A6        D1        D2        D3        D4
           A6           0.16090
           D1           0.00000   0.03069
           D2           0.00000   0.00000   0.03069
           D3           0.00000   0.00000   0.00000   0.03069
           D4           0.00000   0.00000   0.00000   0.00000   0.03069
 ITU=  1  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.03069   0.03069   0.03069   0.09262   0.16000
     Eigenvalues ---    0.16000   0.16096   0.33875   0.34079   0.37230
     Eigenvalues ---    0.42678   0.78624
 RFO step:  Lambda=-2.66548406D-05 EMin= 3.06874497D-02
 Quartic linear search produced a step of  0.15166.
 Iteration  1 RMS(Cart)=  0.00478979 RMS(Int)=  0.00001683
 Iteration  2 RMS(Cart)=  0.00001537 RMS(Int)=  0.00000000
 Iteration  3 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        2.50506   0.00103  -0.00205   0.00292   0.00086   2.50592
    R2        2.07814  -0.00111   0.00019  -0.00242  -0.00223   2.07591
    R3        2.07814  -0.00111   0.00019  -0.00242  -0.00223   2.07591
    R4        2.07465   0.00033  -0.00019   0.00120   0.00100   2.07566
    R5        2.07465   0.00033  -0.00019   0.00120   0.00101   2.07566
    A1        2.13571   0.00065   0.00207   0.00448   0.00655   2.14226
    A2        2.13571   0.00065   0.00207   0.00448   0.00655   2.14226
    A3        2.01177  -0.00130  -0.00414  -0.00896  -0.01310   1.99867
    A4        2.14162   0.00005  -0.00026   0.00046   0.00020   2.14183
    A5        2.14162   0.00005  -0.00026   0.00046   0.00020   2.14183
    A6        1.99994  -0.00009   0.00052  -0.00092  -0.00040   1.99953
    D1        3.14159   0.00000   0.00000   0.00000   0.00000  -3.14159
    D2        0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
    D3        0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
    D4       -3.14159   0.00000   0.00000   0.00000  -0.00001   3.14159
         Item               Value     Threshold  Converged?
 Maximum Force            0.001303     0.000450     NO 
 RMS     Force            0.000647     0.000300     NO 
 Maximum Displacement     0.009201     0.001800     NO 
 RMS     Displacement     0.004791     0.001200     NO 
 Predicted change in Energy=-1.617794D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.275473    0.245901    0.000001
      2          6           0        1.050604    0.245894    0.000003
      3          1           0       -0.869615    1.169885    0.000011
      4          1           0        1.644278   -0.678234   -0.000008
      5          1           0        1.644288    1.170015    0.000013
      6          1           0       -0.869625   -0.678076   -0.000012
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.326078   0.000000
     3  H    1.098522   2.130963   0.000000
     4  H    2.130604   1.098390   3.120129   0.000000
     5  H    2.130603   1.098390   2.513903   1.848250   0.000000
     6  H    1.098522   2.130963   1.847961   2.513904   3.120129
                    6
     6  H    0.000000
 Stoichiometry    C2H4
 Framework group  C1[X(C2H4)]
 Deg. of freedom    12
 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          6           0        0.662980    0.000000   -0.000001
      2          6           0       -0.663097    0.000000    0.000001
      3          1           0        1.257127   -0.923981    0.000009
      4          1           0       -1.256777    0.924124   -0.000010
      5          1           0       -1.256776   -0.924125    0.000012
      6          1           0        1.257127    0.923981   -0.000014
 ---------------------------------------------------------------------
 Rotational constants (GHZ):    146.8177544     29.8686434     24.8193817
 Standard basis: VSTO-6G (5D, 7F)
 There are    12 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    131072 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
    12 basis functions,    72 primitive gaussians,    12 cartesian basis functions
     6 alpha electrons        6 beta electrons
       nuclear repulsion energy        27.1288760162 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=    12 RedAO= F  NBF=    12
 NBsUse=    12 1.00D-04 NBFU=    12
 Initial guess read from the read-write file.
 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  (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A)
 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.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=878938.
 SCF Done:  E(RAM1) =  0.261904301633E-01 A.U. after    8 cycles
             Convg  =    0.3738D-08             -V/T =  1.0037
 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        6           0.000008532   -0.000000086   -0.000000120
      2        6          -0.000198171    0.000000147   -0.000000105
      3        1           0.000147732   -0.000102165    0.000000036
      4        1          -0.000052919    0.000062612    0.000000034
      5        1          -0.000052919   -0.000062707    0.000000075
      6        1           0.000147745    0.000102198    0.000000080
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000198171 RMS     0.000080737

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000304009 RMS     0.000107909
 Search for a local minimum.
 Step number   4 out of a maximum of   25
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points    1    2    3    4
 DE= -1.53D-05 DEPred=-1.62D-05 R= 9.46D-01
 SS=  1.41D+00  RLast= 1.64D-02 DXNew= 5.2426D-01 4.9330D-02
 Trust test= 9.46D-01 RLast= 1.64D-02 DXMaxT set to 3.12D-01
 The second derivative matrix:
                          R1        R2        R3        R4        R5
           R1           0.80508
           R2           0.02894   0.38473
           R3           0.02894   0.01243   0.38473
           R4           0.02305   0.00059   0.00059   0.34182
           R5           0.02304   0.00059   0.00059   0.00308   0.34183
           A1           0.01812  -0.00211  -0.00211   0.00119   0.00119
           A2           0.01812  -0.00211  -0.00211   0.00119   0.00119
           A3          -0.03623   0.00423   0.00423  -0.00238  -0.00237
           A4           0.00718   0.00106   0.00106   0.00080   0.00080
           A5           0.00717   0.00106   0.00106   0.00080   0.00080
           A6          -0.01435  -0.00212  -0.00212  -0.00159  -0.00159
           D1           0.00001   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   0.00000   0.00000   0.00000   0.00000
                          A1        A2        A3        A4        A5
           A1           0.15041
           A2          -0.00959   0.15041
           A3           0.01917   0.01918   0.12165
           A4           0.00047   0.00047  -0.00095   0.16025
           A5           0.00048   0.00048  -0.00095   0.00025   0.16025
           A6          -0.00095  -0.00095   0.00190  -0.00051  -0.00051
           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
                          A6        D1        D2        D3        D4
           A6           0.16102
           D1           0.00000   0.03069
           D2           0.00000   0.00000   0.03069
           D3           0.00000   0.00000   0.00000   0.03069
           D4           0.00000   0.00000   0.00000   0.00000   0.03069
 ITU=  1  1  1  0
     Eigenvalues ---    0.03069   0.03069   0.03069   0.09928   0.16000
     Eigenvalues ---    0.16000   0.16105   0.33875   0.34256   0.37230
     Eigenvalues ---    0.39365   0.81459
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     4    3
 RFO step:  Lambda=-2.40628591D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    0.95341    0.04659
 Iteration  1 RMS(Cart)=  0.00039036 RMS(Int)=  0.00000009
 Iteration  2 RMS(Cart)=  0.00000009 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.50592  -0.00030  -0.00004  -0.00024  -0.00028   2.50565
    R2        2.07591  -0.00017   0.00010  -0.00051  -0.00041   2.07550
    R3        2.07591  -0.00017   0.00010  -0.00051  -0.00041   2.07550
    R4        2.07566  -0.00008  -0.00005  -0.00016  -0.00021   2.07545
    R5        2.07566  -0.00008  -0.00005  -0.00016  -0.00021   2.07545
    A1        2.14226  -0.00005  -0.00031  -0.00012  -0.00043   2.14183
    A2        2.14226  -0.00005  -0.00031  -0.00012  -0.00043   2.14183
    A3        1.99867   0.00010   0.00061   0.00025   0.00086   1.99953
    A4        2.14183  -0.00001  -0.00001  -0.00001  -0.00002   2.14181
    A5        2.14183  -0.00001  -0.00001  -0.00001  -0.00002   2.14181
    A6        1.99953   0.00001   0.00002   0.00002   0.00004   1.99957
    D1       -3.14159   0.00000   0.00000   0.00000   0.00000   3.14159
    D2        0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
    D3        0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
    D4        3.14159   0.00000   0.00000   0.00000   0.00000  -3.14159
         Item               Value     Threshold  Converged?
 Maximum Force            0.000304     0.000450     YES
 RMS     Force            0.000108     0.000300     YES
 Maximum Displacement     0.000833     0.001800     YES
 RMS     Displacement     0.000390     0.001200     YES
 Predicted change in Energy=-1.887970D-07
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3261         -DE/DX =   -0.0003              !
 ! R2    R(1,3)                  1.0985         -DE/DX =   -0.0002              !
 ! R3    R(1,6)                  1.0985         -DE/DX =   -0.0002              !
 ! R4    R(2,4)                  1.0984         -DE/DX =   -0.0001              !
 ! R5    R(2,5)                  1.0984         -DE/DX =   -0.0001              !
 ! A1    A(2,1,3)              122.7422         -DE/DX =    0.0                 !
 ! A2    A(2,1,6)              122.7422         -DE/DX =    0.0                 !
 ! A3    A(3,1,6)              114.5156         -DE/DX =    0.0001              !
 ! A4    A(1,2,4)              122.7176         -DE/DX =    0.0                 !
 ! A5    A(1,2,5)              122.7176         -DE/DX =    0.0                 !
 ! A6    A(4,2,5)              114.5648         -DE/DX =    0.0                 !
 ! D1    D(3,1,2,4)            180.0001         -DE/DX =    0.0                 !
 ! D2    D(3,1,2,5)              0.0            -DE/DX =    0.0                 !
 ! D3    D(6,1,2,4)             -0.0001         -DE/DX =    0.0                 !
 ! D4    D(6,1,2,5)           -180.0001         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.275473    0.245901    0.000001
      2          6           0        1.050604    0.245894    0.000003
      3          1           0       -0.869615    1.169885    0.000011
      4          1           0        1.644278   -0.678234   -0.000008
      5          1           0        1.644288    1.170015    0.000013
      6          1           0       -0.869625   -0.678076   -0.000012
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.326078   0.000000
     3  H    1.098522   2.130963   0.000000
     4  H    2.130604   1.098390   3.120129   0.000000
     5  H    2.130603   1.098390   2.513903   1.848250   0.000000
     6  H    1.098522   2.130963   1.847961   2.513904   3.120129
                    6
     6  H    0.000000
 Stoichiometry    C2H4
 Framework group  C1[X(C2H4)]
 Deg. of freedom    12
 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          6           0        0.662980    0.000000   -0.000001
      2          6           0       -0.663097    0.000000    0.000001
      3          1           0        1.257127   -0.923981    0.000009
      4          1           0       -1.256777    0.924124   -0.000010
      5          1           0       -1.256776   -0.924125    0.000012
      6          1           0        1.257127    0.923981   -0.000014
 ---------------------------------------------------------------------
 Rotational constants (GHZ):    146.8177544     29.8686434     24.8193817

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

            Population analysis using the SCF density.

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

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --   -1.21832  -0.80439  -0.58034  -0.52563  -0.43492
 Alpha  occ. eigenvalues --   -0.38773
 Alpha virt. eigenvalues --    0.05283   0.14735   0.16154   0.18678   0.20426
 Alpha virt. eigenvalues --    0.21285
          Condensed to atoms (all electrons):
              1          2          3          4          5          6
     1  C    4.218014   0.000000   0.000000   0.000000   0.000000   0.000000
     2  C    0.000000   4.217947   0.000000   0.000000   0.000000   0.000000
     3  H    0.000000   0.000000   0.891027   0.000000   0.000000   0.000000
     4  H    0.000000   0.000000   0.000000   0.890993   0.000000   0.000000
     5  H    0.000000   0.000000   0.000000   0.000000   0.890993   0.000000
     6  H    0.000000   0.000000   0.000000   0.000000   0.000000   0.891027
 Mulliken atomic charges:
              1
     1  C   -0.218014
     2  C   -0.217947
     3  H    0.108973
     4  H    0.109007
     5  H    0.109007
     6  H    0.108973
 Sum of Mulliken atomic charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
              1
     1  C   -0.000067
     2  C    0.000067
 Sum of Mulliken charges with hydrogens summed into heavy atoms =   0.00000
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0002    Y=              0.0000    Z=              0.0000  Tot=              0.0002
 N-N= 2.712887601620D+01 E-N=-3.921830638786D+01  KE=-7.084406702272D+00
 1\1\GINC-CX1-15-38-2\FOpt\RAM1\ZDO\C2H4\SCAN-USER-1\12-Mar-2013\0\\# o
 pt am1 geom=connectivity\\Title Card Required\\0,1\C,-0.275473241,0.24
 59013777,0.0000008801\C,1.0506043203,0.2458937102,0.0000025173\H,-0.86
 961484,1.1698853699,0.0000108496\H,1.6442782311,-0.6782341347,-0.00000
 82899\H,1.6442881304,1.1700154079,0.0000132509\H,-0.8696254209,-0.6780
 75891,-0.000012208\\Version=EM64L-G09RevC.01\State=1-A\HF=0.0261904\RM
 SD=3.738e-09\RMSF=8.074e-05\Dipole=-0.0000805,0.,-0.0000009\PG=C01 [X(
 C2H4)]\\@


 CHINESE FORTUNE COOKIE OF JAN 1 1967 SAY....
 ALL THINGS ARE DIFFICULT BEFORE THEY ARE EASY.
 WE LEARN SO LITTLE AND FORGET SO MUCH.
 YOU WILL OVERCOME OBSTACLES TO ACHIEVE SUCCESS.
 AH SO.
 Job cpu time:  0 days  0 hours  0 minutes 25.2 seconds.
 File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      2 Scr=      1
 Normal termination of Gaussian 09 at Tue Mar 12 14:31:51 2013.