 Entering Gaussian System, Link 0=g09
 Initial command:
 /home/smc/package/Gaussian/g09/l1.exe /home/smc/package/Gaussian/tmp/Gau-25373.inp -scrdir=/home/smc/package/Gaussian/tmp/
 Entering Link 1 = /home/smc/package/Gaussian/g09/l1.exe PID=     25375.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2010,
            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
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 Rights clause in FAR 52.227-19.
  
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 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
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 Gaussian, Inc. access to this program.  By using this program,
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 business of creating and licensing software in the field of
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 Cite this work as:
 Gaussian 09, Revision B.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-G09RevB.01 12-Aug-2010
                15-Sep-2019 
 ******************************************
 %CPU=0,1,2,3
 SetSPE:  set environment variable "MP_BIND" = "yes"
 SetSPE:  set environment variable "MP_BLIST" = "0,1,2,3"
 Will use up to    4 processors via shared memory.
 ----------------------------------------------------------------------
 #N ADMP(MaxPoint = 10000,StepSize=1000,FullSCF)/temperature=300/B3LYP/
 6-31G
 ----------------------------------------------------------------------
 1/8=1000,14=-1,26=3,29=20000,38=1,42=10000,75=1,112=300000/1,21;
 2/12=2,17=6,18=5,29=2,40=1/2;
 3/5=1,6=6,11=2,16=1,25=1,30=1,65=-1,71=1,74=-5,89=400,90=600/1,2,3;
 4//1;
 5/5=2,14=200,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/7=1/1,2,3,16;
 1/8=1000,14=-1,42=10000,75=1/21(2);
 2/29=1/2;
 99/12=1/99;
 2/29=1/2;
 3/5=1,6=6,11=2,16=1,25=1,30=1,65=-1,71=1,74=-5,89=400,90=600/1,2,3;
 4/5=5,16=3/1;
 5/5=2,14=200/2;
 7/7=1/1,2,3,16;
 1/8=1000,14=-1,42=10000,75=1/21(-5);
 2/29=1/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1,12=1/99;
 ----------
 methane MD
 ----------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 H                     5.36586   4.05415   3.59848 
 H                     3.92611   4.82628   4.42448 
 H                     5.5636    5.65033   4.43064 
 H                     5.28729   4.14347   5.36703 
 C                     5.01936   4.68879   4.44103 
 
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
 ------------------------------------------------------------------------
 INPUT DATA FOR L121
 ------------------------------------------------------------------------

 General parameters:
 Maximum Steps                =   10000
 Random Number Generator Seed =  398465
 Time Step                    =  0.10000 femtosec
 Ficticious electronic mass   =  0.10000 amu
 MW individual basis funct.   = True 
 Initial nuclear kin. energy  =  0.10000 hartree
 Initial electr. kin. energy  =  0.00000 hartree
   Initial electr. KE scheme  =  0
 Multitime step - NDtrC       =       1
 Multitime step - NDtrP       =       1
 No Thermostats chosen to control nuclear temperature

 Integration parameters:

 Follow Rxn Path (DVV)        = False
 Read in converged density
 Projection of angular mom.   = True 
 Rotate density with nuclei   = True 
 ------------------------------------------------------------------------
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
 ---------------------------------------------------------------------------------------------------
                            Z-MATRIX (ANGSTROMS AND DEGREES)
   CD    Cent   Atom    N1       Length/X        N2       Alpha/Y        N3        Beta/Z          J
 ---------------------------------------------------------------------------------------------------
      1      1  H        0   5.365862          4.054149          3.598478
      2      2  H        0   3.926107          4.826280          4.424482
      3      3  H        0   5.563601          5.650326          4.430643
      4      4  H        0   5.287288          4.143469          5.367026
      5      5  C        0   5.019365          4.688792          4.441028
 ---------------------------------------------------------------------------------------------------
                         Z-Matrix orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        5.365862    4.054149    3.598478
      2          1           0        3.926107    4.826280    4.424482
      3          1           0        5.563601    5.650326    4.430643
      4          1           0        5.287288    4.143469    5.367026
      5          6           0        5.019365    4.688792    4.441028
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.830673   0.000000
     3  H    1.810906   1.833160   0.000000
     4  H    1.772544   1.790931   1.795488   0.000000
     5  C    1.110280   1.101993   1.104920   1.107534   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    156.5839234    154.4576521    150.2083673
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.2399414015 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -40.5096755160     A.U. after   10 cycles
             Convg  =    0.1204D-08             -V/T =  2.0084

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

            Population analysis using the SCF density.

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

 Alpha  occ. eigenvalues --  -10.16545  -0.68917  -0.39368  -0.38862  -0.38084
 Alpha virt. eigenvalues --    0.11378   0.16845   0.17148   0.17414   0.54530
 Alpha virt. eigenvalues --    0.54958   0.55164   0.91716   0.92621   0.93145
 Alpha virt. eigenvalues --    0.93559   1.10791
          Condensed to atoms (all electrons):
              1          2          3          4          5
     1  H    0.564929  -0.025216  -0.027531  -0.031558   0.376581
     2  H   -0.025216   0.554491  -0.024945  -0.029330   0.379313
     3  H   -0.027531  -0.024945   0.558187  -0.028744   0.378354
     4  H   -0.031558  -0.029330  -0.028744   0.573083   0.374756
     5  C    0.376581   0.379313   0.378354   0.374756   5.065949
 Mulliken atomic charges:
              1
     1  H    0.142795
     2  H    0.145687
     3  H    0.144679
     4  H    0.141793
     5  C   -0.574955
 Sum of Mulliken atomic charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
              1
     5  C    0.000000
 Sum of Mulliken charges with hydrogens summed into heavy atoms =   0.00000
 Electronic spatial extent (au):  <R**2>=           2426.4181
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0218    Y=             -0.0300    Z=              0.0283  Tot=              0.0467
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.9988   YY=             -8.5835   ZZ=             -8.1878
   XY=             -0.0312   XZ=              0.1921   YZ=              0.0292
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.2579   YY=             -0.3268   ZZ=              0.0689
   XY=             -0.0312   XZ=              0.1921   YZ=              0.0292
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -123.0056  YYY=           -118.2529  ZZZ=           -110.7845  XYY=            -42.0265
  XXY=            -37.7993  XXZ=            -35.3531  XZZ=            -40.8497  YZZ=            -39.2074
  YYZ=            -37.3134  XYZ=              0.4972
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1264.7339 YYYY=          -1113.6942 ZZZZ=          -1004.6257 XXXY=           -574.9402
 XXXZ=           -547.2701 YYYX=           -583.9679 YYYZ=           -521.5875 ZZZX=           -553.7584
 ZZZY=           -526.8876 XXYY=           -388.8289 XXZZ=           -371.9396 YYZZ=           -357.3001
 XXYZ=           -165.8953 YYXZ=           -183.2825 ZZXY=           -195.2043
 N-N= 1.323994140150D+01 E-N=-1.196248925061D+02  KE= 4.017262785688D+01
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1          -0.006678199    0.008590903    0.004647135
      2        1           0.007476313    0.001379989   -0.003287391
      3        1          -0.007030955   -0.005685168   -0.001238420
      4        1          -0.002455766    0.005531818   -0.004600468
      5        6           0.008688607   -0.009817542    0.004479144
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.009817542 RMS     0.006009040
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step      0
 GnVelC Random: Velocity
 I=    1 X=   6.776577902369D-01 Y=   7.429033107124D-01 Z=   8.096585665196D-01
 I=    2 X=   5.918403073752D-01 Y=   3.410950604214D-01 Z=   2.852121111959D-01
 I=    3 X=   1.912162494242D-01 Y=   7.195232935778D-01 Z=   5.673842562704D-01
 I=    4 X=   4.035037873473D-02 Y=   3.464603346208D-01 Z=   5.858358356755D-01
 I=    5 X=   6.576648108690D-01 Y=   9.959465304093D-02 Z=   8.182893439322D-01
 GnVelC Scaled: Velocity
 I=    1 X=   1.358240268004D-01 Y=   1.489012900582D-01 Z=   1.622811519656D-01
 I=    2 X=   1.186234924598D-01 Y=   6.836622450981D-02 Z=   5.716551627233D-02
 I=    3 X=   3.832577646217D-02 Y=   1.442151961040D-01 Z=   1.137217273085D-01
 I=    4 X=   8.087490473260D-03 Y=   6.944159493592D-02 Z=   1.174200066638D-01
 I=    5 X=   1.318168022032D-01 Y=   1.996191443335D-02 Z=   1.640110323853D-01
 GnVelC MW: Velocity
 I=    1 X=   1.801037906080D-02 Y=   1.016152558572D-01 Z=   8.173086826976D-02
 I=    2 X=   7.438163761701D-02 Y=   7.121373808880D-02 Z=   5.798979768678D-02
 I=    3 X=   2.027689147847D-02 Y=   9.578287950148D-02 Z=   1.166402975961D-02
 I=    4 X=  -1.212644215586D-03 Y=   3.535178182037D-02 Z=   4.102434646497D-02
 I=    5 X=  -3.230029061291D-02 Y=  -8.808939088554D-02 Z=  -5.576059845598D-02
 GnVelC Scaled: Velocity
 I=    1 X=   3.299690892526D-02 Y=   1.861698374931D-01 Z=   1.497395478227D-01
 I=    2 X=   1.362749842118D-01 Y=   1.304710590494D-01 Z=   1.062434092256D-01
 I=    3 X=   3.714939808561D-02 Y=   1.754843105100D-01 Z=   2.136972944212D-02
 I=    4 X=  -2.221691759254D-03 Y=   6.476818289800D-02 Z=   7.516091801582D-02
 I=    5 X=  -5.917753002396D-02 Y=  -1.613890300986D-01 Z=  -1.021592817485D-01
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=   6.678199187941D-03 Y=  -8.590902717657D-03 Z=  -4.647134873120D-03
 I=    2 X=  -7.476312989884D-03 Y=  -1.379989062315D-03 Z=   3.287390969723D-03
 I=    3 X=   7.030955220314D-03 Y=   5.685168181030D-03 Z=   1.238420036969D-03
 I=    4 X=   2.455765969580D-03 Y=  -5.531818342046D-03 Z=   4.600467600911D-03
 I=    5 X=  -8.688607387960D-03 Y=   9.817541940995D-03 Z=  -4.479143734483D-03

 Summary information for step      0
 Time (fs)     0.000000
 EKinC      =      0.1000000; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.1000000; EPot   =    -40.5096755; ETot   =    -40.4096755
 ETot-EKinP =    -40.4096755
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.875165884684D-01
 Angular momentum
   JX =  0.7038403605D-15  JY =  0.2863573386D-13  JZ =  0.9588008857D-14
 Jtot =  0.3020646552D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040967552D+01 A.U.
 Total angular momentum   3.020647D-14 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   6.470158273036D-01 Y=  -1.189685802020D+00 Z=  -1.598902310053D+00
 I=    2 X=  -2.073726424307D+00 Y=   2.694306668416D-01 Z=  -3.798213701533D-02
 I=    3 X=   1.020688364197D+00 Y=   1.826651228543D+00 Z=  -2.633862724208D-02
 I=    4 X=   4.985325239327D-01 Y=  -1.020895085886D+00 Z=   1.743168344714D+00
 I=    5 X=  -7.769515631457D-03 Y=   9.616245947853D-03 Z=  -6.714237091813D-03
 MW Cartesian velocity:
 I=    1 X=   3.299690892526D+13 Y=   1.861698374931D+14 Z=   1.497395478227D+14
 I=    2 X=   1.362749842118D+14 Y=   1.304710590494D+14 Z=   1.062434092256D+14
 I=    3 X=   3.714939808561D+13 Y=   1.754843105100D+14 Z=   2.136972944212D+13
 I=    4 X=  -2.221691759254D+12 Y=   6.476818289800D+13 Z=   7.516091801582D+13
 I=    5 X=  -5.917753002396D+13 Y=  -1.613890300986D+14 Z=  -1.021592817485D+14
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.344109   -0.619720   -0.838198
      2          1           0       -1.090167    0.149457   -0.014507
      3          1           0        0.542066    0.975858   -0.012814
      4          1           0        0.263689   -0.536807    0.926396
      5          6           0       -0.005014    0.002621   -0.005113
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.824075   0.000000
     3  H    1.807295   1.829515   0.000000
     4  H    1.768370   1.785828   1.802156   0.000000
     5  C    1.096917   1.095083   1.116488   1.109455   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    156.8980249    155.1034292    150.6415334
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.2608856678 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.5096341093     A.U. after    7 cycles
             Convg  =    0.2976D-08             -V/T =  2.0082
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1          -0.004970580    0.003697596   -0.001337769
      2        1           0.003013749    0.001005001   -0.004117764
      3        1          -0.009739673   -0.011522311   -0.001098638
      4        1          -0.002519160    0.005692401   -0.005819284
      5        6           0.014215663    0.001127312    0.012373455
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.014215663 RMS     0.006952798
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step      1
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=   4.970579881954D-03 Y=  -3.697596201863D-03 Z=   1.337768633541D-03
 I=    2 X=  -3.013749478836D-03 Y=  -1.005000854725D-03 Z=   4.117764104218D-03
 I=    3 X=   9.739672760430D-03 Y=   1.152231086330D-02 Z=   1.098638206965D-03
 I=    4 X=   2.519160158545D-03 Y=  -5.692401392450D-03 Z=   5.819283814787D-03
 I=    5 X=  -1.421566332209D-02 Y=  -1.127312414268D-03 Z=  -1.237345475951D-02

 Summary information for step      1
 Time (fs)     0.100000
 EKinC      =      0.0999583; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0999583; EPot   =    -40.5096341; ETot   =    -40.4096758
 ETot-EKinP =    -40.4096758
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.874759589420D-01
 Angular momentum
   JX = -0.2980256506D-14  JY =  0.3057303303D-13  JZ =  0.2454409546D-14
 Jtot =  0.3081584664D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040967583D+01  Delta-E  -3.175966D-07 A.U.
 Total angular momentum   3.081585D-14  Delta-A   6.093811D-16 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   6.502716152732D-01 Y=  -1.171101272704D+00 Z=  -1.583964984602D+00
 I=    2 X=  -2.060117154049D+00 Y=   2.824334599866D-01 Z=  -2.741441916778D-02
 I=    3 X=   1.024356164935D+00 Y=   1.844104948455D+00 Z=  -2.421571829702D-02
 I=    4 X=   4.982997817565D-01 Y=  -1.014417738204D+00 Z=   1.750633800692D+00
 I=    5 X=  -9.474429460938D-03 Y=   4.953510655191D-03 Z=  -9.661571711882D-03
 MW Cartesian velocity:
 I=    1 X=   3.245286715137D+13 Y=   1.867436622906D+14 Z=   1.498940592855D+14
 I=    2 X=   1.367648872428D+14 Y=   1.305827714327D+14 Z=   1.058974895112D+14
 I=    3 X=   3.636656630083D+13 Y=   1.746806161166D+14 Z=   2.126077077391D+13
 I=    4 X=  -2.454282941785D+12 Y=   6.529214009068D+13 Z=   7.467432298561D+13
 I=    5 X=  -5.886756849421D+13 Y=  -1.615066318989D+14 Z=  -1.019312183020D+14
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.345807   -0.609867   -0.830300
      2          1           0       -1.082950    0.156343   -0.008935
      3          1           0        0.543959    0.985038   -0.011696
      4          1           0        0.263553   -0.533351    0.930317
      5          6           0       -0.005910    0.000154   -0.006667
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.817434   0.000000
     3  H    1.803635   1.825808   0.000000
     4  H    1.764198   1.780715   1.808735   0.000000
     5  C    1.083606   1.088309   1.127997   1.111386   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    157.3979458    155.6368916    150.9515336
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.2832343010 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.5091423840     A.U. after    7 cycles
             Convg  =    0.3631D-08             -V/T =  2.0079
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1          -0.002977416   -0.001511088   -0.007834035
      2        1          -0.001541923    0.000706936   -0.004922726
      3        1          -0.012167998   -0.016922949   -0.000993530
      4        1          -0.002573184    0.005833762   -0.007046116
      5        6           0.019260522    0.011893339    0.020796408
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.020796408 RMS     0.010231572
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step      2
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=   2.977416139120D-03 Y=   1.511088111514D-03 Z=   7.834035140729D-03
 I=    2 X=   1.541923417137D-03 Y=  -7.069364741325D-04 Z=   4.922726194231D-03
 I=    3 X=   1.216799814622D-02 Y=   1.692294946019D-02 Z=   9.935299083783D-04
 I=    4 X=   2.573183877856D-03 Y=  -5.833762368844D-03 Z=   7.046116473874D-03
 I=    5 X=  -1.926052158033D-02 Y=  -1.189333872873D-02 Z=  -2.079640771721D-02

 Summary information for step      2
 Time (fs)     0.200000
 EKinC      =      0.0994665; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0994665; EPot   =    -40.5091424; ETot   =    -40.4096759
 ETot-EKinP =    -40.4096759
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.870094774116D-01
 Angular momentum
   JX = -0.5846905663D-14  JY =  0.2854784379D-13  JZ =  0.6784918754D-15
 Jtot =  0.2914834544D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040967593D+01  Delta-E  -9.739118D-08 A.U.
 Total angular momentum   2.914835D-14  Delta-A  -1.667501D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   6.534811543146D-01 Y=  -1.152482345133D+00 Z=  -1.569040106946D+00
 I=    2 X=  -2.046479841885D+00 Y=   2.954456354231D-01 Z=  -1.688502112280D-02
 I=    3 X=   1.027933386410D+00 Y=   1.861451460535D+00 Z=  -2.210301271475D-02
 I=    4 X=   4.980435766319D-01 Y=  -1.007887451307D+00 Z=   1.758045117086D+00
 I=    5 X=  -1.116823628313D-02 Y=   2.916562075802D-04 Z=  -1.259923872436D-02
 MW Cartesian velocity:
 I=    1 X=   3.208165448541D+13 Y=   1.868457621514D+14 Z=   1.494657414030D+14
 I=    2 X=   1.368336639561D+14 Y=   1.306630265848D+14 Z=   1.054752064956D+14
 I=    3 X=   3.534382924898D+13 Y=   1.733521660391D+14 Z=   2.116324555589D+13
 I=    4 X=  -2.692344333154D+12 Y=   6.583020549652D+13 Z=   7.407352433210D+13
 I=    5 X=  -5.841453944500D+13 Y=  -1.613304234564D+14 Z=  -1.014823362166D+14
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.347491   -0.600022   -0.822441
      2          1           0       -1.075742    0.163232   -0.003387
      3          1           0        0.545792    0.994134   -0.010583
      4          1           0        0.263405   -0.529867    0.934205
      5          6           0       -0.006798   -0.002308   -0.008213
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.810800   0.000000
     3  H    1.799936   1.822037   0.000000
     4  H    1.760056   1.775607   1.815198   0.000000
     5  C    1.070397   1.081696   1.139411   1.113319   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    158.1489162    155.9509300    151.1738248
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.3068585527 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.5082005821     A.U. after    7 cycles
             Convg  =    0.4146D-08             -V/T =  2.0076
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1          -0.000681780   -0.007026153   -0.014846917
      2        1          -0.006167512    0.000487043   -0.005699534
      3        1          -0.014329582   -0.021899956   -0.000918596
      4        1          -0.002617224    0.005953202   -0.008277194
      5        6           0.023796098    0.022485864    0.029742241
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.029742241 RMS     0.014362180
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step      3
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=   6.817804377754D-04 Y=   7.026153352150D-03 Z=   1.484691716737D-02
 I=    2 X=   6.167511799597D-03 Y=  -4.870434013641D-04 Z=   5.699533751616D-03
 I=    3 X=   1.432958192883D-02 Y=   2.189995635411D-02 Z=   9.185962536270D-04
 I=    4 X=   2.617224034129D-03 Y=  -5.953201817544D-03 Z=   8.277194095501D-03
 I=    5 X=  -2.379609820033D-02 Y=  -2.248586448736D-02 Z=  -2.974224126812D-02

 Summary information for step      3
 Time (fs)     0.300000
 EKinC      =      0.0985248; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0985248; EPot   =    -40.5082006; ETot   =    -40.4096758
 ETot-EKinP =    -40.4096758
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.861135029857D-01
 Angular momentum
   JX = -0.1923650947D-14  JY =  0.2551859253D-13  JZ =  0.5741420827D-14
 Jtot =  0.2622714073D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040967578D+01  Delta-E   1.555734D-07 A.U.
 Total angular momentum   2.622714D-14  Delta-A  -2.921205D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   6.566629885327D-01 Y=  -1.133877475272D+00 Z=  -1.554188111865D+00
 I=    2 X=  -2.032856869789D+00 Y=   3.084644171646D-01 Z=  -6.401431367045D-03
 I=    3 X=   1.031397435367D+00 Y=   1.878640523888D+00 Z=  -1.999953294441D-02
 I=    4 X=   4.977634073752D-01 Y=  -1.001302909127D+00 Z=   1.765390880720D+00
 I=    5 X=  -1.284699446825D-02 Y=  -4.360905685909D-03 Z=  -1.552065712514D-02
 MW Cartesian velocity:
 I=    1 X=   3.191073695222D+13 Y=   1.864471044843D+14 Z=   1.484065927971D+14
 I=    2 X=   1.364737005437D+14 Y=   1.307190595880D+14 Z=   1.049790567970D+14
 I=    3 X=   3.410672937785D+13 Y=   1.715391295315D+14 Z=   2.107412688331D+13
 I=    4 X=  -2.934972181022D+12 Y=   6.638046031352D+13 Z=   7.335795102972D+13
 I=    5 X=  -5.783186026773D+13 Y=  -1.608651728731D+14 Z=  -1.007984054156D+14
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.349171   -0.590211   -0.814655
      2          1           0       -1.068563    0.170124    0.002132
      3          1           0        0.547555    1.003122   -0.009475
      4          1           0        0.263244   -0.526353    0.938051
      5          6           0       -0.007677   -0.004760   -0.009747
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.804223   0.000000
     3  H    1.796213   1.818201   0.000000
     4  H    1.755972   1.770518   1.821519   0.000000
     5  C    1.057341   1.075270   1.150699   1.115248   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    159.0684317    156.0949851    151.3343832
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.3315916851 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.5068133501     A.U. after    7 cycles
             Convg  =    0.4505D-08             -V/T =  2.0073
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.001930343   -0.012831557   -0.022372788
      2        1          -0.010837227    0.000345380   -0.006445892
      3        1          -0.016239584   -0.026469816   -0.000869574
      4        1          -0.002650687    0.006048178   -0.009508574
      5        6           0.027797156    0.032907815    0.039196828
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.039196828 RMS     0.018831144
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step      4
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -1.930342534582D-03 Y=   1.283155705695D-02 Z=   2.237278762150D-02
 I=    2 X=   1.083722699039D-02 Y=  -3.453798994895D-04 Z=   6.445891891794D-03
 I=    3 X=   1.623958381822D-02 Y=   2.646981628336D-02 Z=   8.695743023011D-04
 I=    4 X=   2.650687277877D-03 Y=  -6.048178460847D-03 Z=   9.508574316038D-03
 I=    5 X=  -2.779715555191D-02 Y=  -3.290781497997D-02 Z=  -3.919682813163D-02

 Summary information for step      4
 Time (fs)     0.400000
 EKinC      =      0.0971380; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0971380; EPot   =    -40.5068134; ETot   =    -40.4096753
 ETot-EKinP =    -40.4096753
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.847847741088D-01
 Angular momentum
   JX = -0.2573476394D-14  JY =  0.2780820236D-13  JZ =  0.4036931971D-14
 Jtot =  0.2821729468D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040967532D+01  Delta-E   4.510878D-07 A.U.
 Total angular momentum   2.821729D-14  Delta-A   1.990154D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   6.598384770312D-01 Y=  -1.115337969102D+00 Z=  -1.539474239975D+00
 I=    2 X=  -2.019291270278D+00 Y=   3.214877556114D-01 Z=   4.029122713452D-03
 I=    3 X=   1.034728199259D+00 Y=   1.895625839102D+00 Z=  -1.790458176758D-02
 I=    4 X=   4.974588654312D-01 Y=  -9.946629993327D-01 Z=   1.772659639126D+00
 I=    5 X=  -1.450716029246D-02 Y=  -8.995898878572D-03 Z=  -1.841883737442D-02
 MW Cartesian velocity:
 I=    1 X=   3.196902811259D+13 Y=   1.855198287626D+14 Z=   1.466685352470D+14
 I=    2 X=   1.356796703841D+14 Y=   1.307581656955D+14 Z=   1.044117699790D+14
 I=    3 X=   3.267946292279D+13 Y=   1.692803055215D+14 Z=   2.099080134555D+13
 I=    4 X=  -3.181208287915D+12 Y=   6.694073845531D+13 Z=   7.252739129633D+13
 I=    5 X=  -5.713365632806D+13 Y=  -1.601155365686D+14 Z=  -9.986546500274D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.350861   -0.580464   -0.806979
      2          1           0       -1.061438    0.177017    0.007620
      3          1           0        0.549237    1.011980   -0.008370
      4          1           0        0.263070   -0.522810    0.941851
      5          6           0       -0.008544   -0.007200   -0.011264
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.797759   0.000000
     3  H    1.792486   1.814302   0.000000
     4  H    1.751980   1.765464   1.827674   0.000000
     5  C    1.044493   1.069055   1.161833   1.117164   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    160.0598195    156.1421236    151.4491093
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.3572290290 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.5049903498     A.U. after    7 cycles
             Convg  =    0.4702D-08             -V/T =  2.0069
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.004868911   -0.018903147   -0.030397482
      2        1          -0.015522932    0.000280701   -0.007160064
      3        1          -0.017913986   -0.030651368   -0.000842456
      4        1          -0.002673009    0.006116337   -0.010736163
      5        6           0.031241016    0.043157476    0.049136164
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.049136164 RMS     0.023482230
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step      5
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -4.868910619083D-03 Y=   1.890314679116D-02 Z=   3.039748160476D-02
 I=    2 X=   1.552293179472D-02 Y=  -2.807012812464D-04 Z=   7.160064023123D-03
 I=    3 X=   1.791398602943D-02 Y=   3.065136751355D-02 Z=   8.424557493818D-04
 I=    4 X=   2.673009221389D-03 Y=  -6.116337370700D-03 Z=   1.073616261844D-02
 I=    5 X=  -3.124101642646D-02 Y=  -4.315747565277D-02 Z=  -4.913616399571D-02

 Summary information for step      5
 Time (fs)     0.500000
 EKinC      =      0.0953158; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0953158; EPot   =    -40.5049903; ETot   =    -40.4096745
 ETot-EKinP =    -40.4096745
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.830206625204D-01
 Angular momentum
   JX = -0.3487923567D-14  JY =  0.3091750255D-13  JZ =  0.3490203291D-14
 Jtot =  0.3130877024D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040967453D+01  Delta-E   7.967970D-07 A.U.
 Total angular momentum   3.130877D-14  Delta-A   3.091476D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   6.630319241342D-01 Y=  -1.096917833019D+00 Z=  -1.524968504297D+00
 I=    2 X=  -2.005826486505D+00 Y=   3.345143281522D-01 Z=   1.439969642135D-02
 I=    3 X=   1.037907905254D+00 Y=   1.912364894885D+00 Z=  -1.581770228243D-02
 I=    4 X=   4.971296405103D-01 Y=  -9.879668373877D-01 Z=   1.779839936940D+00
 I=    5 X=  -1.614560765433D-02 Y=  -1.360518049984D-02 Z=  -2.128639243535D-02
 MW Cartesian velocity:
 I=    1 X=   3.228655446466D+13 Y=   1.840379535947D+14 Z=   1.442043172779D+14
 I=    2 X=   1.344487652737D+14 Y=   1.307875878377D+14 Z=   1.037762707253D+14
 I=    3 X=   3.108477434121D+13 Y=   1.666128421650D+14 Z=   2.091104244409D+13
 I=    4 X=  -3.430036584615D+12 Y=   6.750864109864D+13 Z=   7.158200521296D+13
 I=    5 X=  -5.633470140977D+13 Y=  -1.590861545315D+14 Z=  -9.867007011567D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.352575   -0.570809   -0.799452
      2          1           0       -1.054389    0.183912    0.013073
      3          1           0        0.550832    1.020687   -0.007270
      4          1           0        0.262882   -0.519236    0.945598
      5          6           0       -0.009398   -0.009621   -0.012761
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.791466   0.000000
     3  H    1.788776   1.810342   0.000000
     4  H    1.748114   1.760461   1.833640   0.000000
     5  C    1.031911   1.063075   1.172784   1.119060   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    161.0687178    156.1299555    151.5265000
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.3835283547 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.5027469701     A.U. after    7 cycles
             Convg  =    0.4735D-08             -V/T =  2.0065
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.008138107   -0.025207465   -0.038894293
      2        1          -0.020194429    0.000290354   -0.007840947
      3        1          -0.019369049   -0.034464798   -0.000833508
      4        1          -0.002683663    0.006155535   -0.011955731
      5        6           0.034109033    0.053226374    0.059524479
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.059524479 RMS     0.028254954
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step      6
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -8.138106944172D-03 Y=   2.520746489617D-02 Z=   3.889429268564D-02
 I=    2 X=   2.019442868284D-02 Y=  -2.903539123728D-04 Z=   7.840947344190D-03
 I=    3 X=   1.936904853447D-02 Y=   3.446479814091D-02 Z=   8.335084760353D-04
 I=    4 X=   2.683662575165D-03 Y=  -6.155535182086D-03 Z=   1.195573061051D-02
 I=    5 X=  -3.410903284831D-02 Y=  -5.322637394261D-02 Z=  -5.952447911638D-02

 Summary information for step      6
 Time (fs)     0.600000
 EKinC      =      0.0930736; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0930736; EPot   =    -40.5027470; ETot   =    -40.4096733
 ETot-EKinP =    -40.4096733
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.808194954750D-01
 Angular momentum
   JX = -0.6842996072D-14  JY =  0.3286801063D-13  JZ =  0.1217038374D-14
 Jtot =  0.3359484931D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040967333D+01  Delta-E   1.197556D-06 A.U.
 Total angular momentum   3.359485D-14  Delta-A   2.286079D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   6.662706708863D-01 Y=  -1.078673549071D+00 Z=  -1.510745558985D+00
 I=    2 X=  -1.992506110443D+00 Y=   3.475435281387D-01 Z=   2.470364503209D-02
 I=    3 X=   1.040920972004D+00 Y=   1.928818792557D+00 Z=  -1.373864083817D-02
 I=    4 X=   4.967755264808D-01 Y=  -9.812137888596D-01 Z=   1.786920353585D+00
 I=    5 X=  -1.775964579482D-02 Y=  -1.818074229288D-02 Z=  -2.411555652864D-02
 MW Cartesian velocity:
 I=    1 X=   3.289399087005D+13 Y=   1.819781863755D+14 Z=   1.409685922495D+14
 I=    2 X=   1.327809017894D+14 Y=   1.308143931479D+14 Z=   1.030756274857D+14
 I=    3 X=   2.934390782819D+13 Y=   1.635720622133D+14 Z=   2.083298042551D+13
 I=    4 X=  -3.680383711736D+12 Y=   6.808155731298D+13 Z=   7.052233862833D+13
 I=    5 X=  -5.545032866493D+13 Y=  -1.577818045449D+14 Z=  -9.719958476347D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.354329   -0.561279   -0.792117
      2          1           0       -1.047439    0.190808    0.018487
      3          1           0        0.552331    1.029224   -0.006174
      4          1           0        0.262682   -0.515632    0.949285
      5          6           0       -0.010238   -0.012020   -0.014234
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.785404   0.000000
     3  H    1.785108   1.806326   0.000000
     4  H    1.744410   1.755523   1.839397   0.000000
     5  C    1.019655   1.057354   1.183528   1.120928   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    162.0647698    156.0766233    151.5700559
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.4102106992 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.5001050975     A.U. after    7 cycles
             Convg  =    0.4607D-08             -V/T =  2.0061
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.011734329   -0.031700487   -0.047821449
      2        1          -0.024819810    0.000370174   -0.008488119
      3        1          -0.020620960   -0.037930952   -0.000839294
      4        1          -0.002682167    0.006163859   -0.013162933
      5        6           0.036388608    0.063097406    0.070311795
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.070311795 RMS     0.033115970
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step      7
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -1.173432936559D-02 Y=   3.170048663991D-02 Z=   4.782144907244D-02
 I=    2 X=   2.481981000155D-02 Y=  -3.701738035048D-04 Z=   8.488118763804D-03
 I=    3 X=   2.062096004881D-02 Y=   3.793095248934D-02 Z=   8.392942864819D-04
 I=    4 X=   2.682167143249D-03 Y=  -6.163859041439D-03 Z=   1.316293300137D-02
 I=    5 X=  -3.638860782802D-02 Y=  -6.309740628430D-02 Z=  -7.031179512410D-02

 Summary information for step      7
 Time (fs)     0.700000
 EKinC      =      0.0904334; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0904334; EPot   =    -40.5001051; ETot   =    -40.4096717
 ETot-EKinP =    -40.4096717
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.781809465967D-01
 Angular momentum
   JX = -0.6363284241D-14  JY =  0.3106095651D-13  JZ =  0.1557287279D-14
 Jtot =  0.3174428373D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040967168D+01  Delta-E   1.654360D-06 A.U.
 Total angular momentum   3.174428D-14  Delta-A  -1.850566D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   6.695851327207D-01 Y=  -1.060663764055D+00 Z=  -1.496884451109D+00
 I=    2 X=  -1.979373601868D+00 Y=   3.605754408886D-01 Z=   3.493463515125D-02
 I=    3 X=   1.043753858988D+00 Y=   1.944952057897D+00 Z=  -1.166731302908D-02
 I=    4 X=   4.963964268897D-01 Y=  -9.744034893669D-01 Z=   1.793889542440D+00
 I=    5 X=  -1.934703387247D-02 Y=  -2.271471723257D-02 Z=  -2.689821307818D-02
 MW Cartesian velocity:
 I=    1 X=   3.382202950423D+13 Y=   1.793208477172D+14 Z=   1.369192108161D+14
 I=    2 X=   1.306788975677D+14 Y=   1.308453368268D+14 Z=   1.023129875439D+14
 I=    3 X=   2.747659810578D+13 Y=   1.601913690133D+14 Z=   2.075507286433D+13
 I=    4 X=  -3.931125487345D+12 Y=   6.865668847758D+13 Z=   6.934933780511D+13
 I=    5 X=  -5.449629427684D+13 Y=  -1.562076104712D+14 Z=  -9.544253328625D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.356141   -0.551905   -0.785018
      2          1           0       -1.040612    0.197706    0.023859
      3          1           0        0.553728    1.037575   -0.005082
      4          1           0        0.262468   -0.511998    0.952909
      5          6           0       -0.011063   -0.014393   -0.015677
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.779640   0.000000
     3  H    1.781512   1.802259   0.000000
     4  H    1.740906   1.750666   1.844927   0.000000
     5  C    1.007790   1.051913   1.194043   1.122759   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    163.0281607    155.9928226    151.5798375
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.4369618274 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.4970938821     A.U. after    7 cycles
             Convg  =    0.4325D-08             -V/T =  2.0056
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.015644130   -0.038326497   -0.057119383
      2        1          -0.029365809    0.000514437   -0.009101876
      3        1          -0.021685600   -0.041070927   -0.000856686
      4        1          -0.002668099    0.006139641   -0.014353326
      5        6           0.038075378    0.072743345    0.081431272
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.081431272 RMS     0.038037504
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step      8
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -1.564413047867D-02 Y=   3.832649651140D-02 Z=   5.711938332233D-02
 I=    2 X=   2.936580920908D-02 Y=  -5.144366319129D-04 Z=   9.101876093186D-03
 I=    3 X=   2.168560049327D-02 Y=   4.107092651098D-02 Z=   8.566862838221D-04
 I=    4 X=   2.668098813791D-03 Y=  -6.139640983497D-03 Z=   1.435332610768D-02
 I=    5 X=  -3.807537803747D-02 Y=  -7.274334540696D-02 Z=  -8.143127180702D-02

 Summary information for step      8
 Time (fs)     0.800000
 EKinC      =      0.0874244; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0874244; EPot   =    -40.4970939; ETot   =    -40.4096695
 ETot-EKinP =    -40.4096695
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.751064931066D-01
 Angular momentum
   JX = -0.5414516760D-14  JY =  0.2834988486D-13  JZ =  0.7393204039D-14
 Jtot =  0.2979416771D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040966951D+01  Delta-E   2.162423D-06 A.U.
 Total angular momentum   2.979417D-14  Delta-A  -1.950116D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   6.730087652403D-01 Y=  -1.042948880586D+00 Z=  -1.483468231903D+00
 I=    2 X=  -1.966471991415D+00 Y=   3.736108055385D-01 Z=   4.508664906259D-02
 I=    3 X=   1.046394916450D+00 Y=   1.960732446909D+00 Z=  -9.603772489560D-03
 I=    4 X=   4.959923595674D-01 Y=  -9.675358620240D-01 Z=   1.800736271445D+00
 I=    5 X=  -2.090599081188D-02 Y=  -2.719939288838D-02 Z=  -2.962593375714D-02
 MW Cartesian velocity:
 I=    1 X=   3.510056302519D+13 Y=   1.760509101849D+14 Z=   1.320187583876D+14
 I=    2 X=   1.281486144597D+14 Y=   1.308867164722D+14 Z=   1.014915046015D+14
 I=    3 X=   2.550108638636D+13 Y=   1.565022051025D+14 Z=   2.067607795187D+13
 I=    4 X=  -4.181096298976D+12 Y=   6.923107255280D+13 Z=   6.806436193494D+13
 I=    5 X=  -5.348858413143D+13 Y=  -1.543692960988D+14 Z=  -9.338902081487D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.358030   -0.542719   -0.778199
      2          1           0       -1.033929    0.204607    0.029186
      3          1           0        0.555019    1.045723   -0.003994
      4          1           0        0.262241   -0.508334    0.956461
      5          6           0       -0.011872   -0.016736   -0.017087
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.774237   0.000000
     3  H    1.778018   1.798148   0.000000
     4  H    1.737643   1.745904   1.850213   0.000000
     5  C    0.996382   1.046774   1.204308   1.124545   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    163.9439876    155.8866385    151.5533958
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.4634345448 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.4937504123     A.U. after    7 cycles
             Convg  =    0.3908D-08             -V/T =  2.0052
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.019842407   -0.045017540   -0.066708635
      2        1          -0.033798261    0.000715861   -0.009683273
      3        1          -0.022578379   -0.043905760   -0.000882877
      4        1          -0.002641095    0.006081466   -0.015522383
      5        6           0.039175328    0.082125973    0.092797168
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.092797168 RMS     0.042989007
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step      9
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -1.984240662959D-02 Y=   4.501754032354D-02 Z=   6.670863527201D-02
 I=    2 X=   3.379826149010D-02 Y=  -7.158610990300D-04 Z=   9.683272880781D-03
 I=    3 X=   2.257837870576D-02 Y=   4.390575951956D-02 Z=   8.828768768129D-04
 I=    4 X=   2.641094575719D-03 Y=  -6.081465873300D-03 Z=   1.552238305462D-02
 I=    5 X=  -3.917532814199D-02 Y=  -8.212597287076D-02 Z=  -9.279716808422D-02

 Summary information for step      9
 Time (fs)     0.900000
 EKinC      =      0.0840836; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0840836; EPot   =    -40.4937504; ETot   =    -40.4096668
 ETot-EKinP =    -40.4096668
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.715999242322D-01
 Angular momentum
   JX = -0.9561036521D-14  JY =  0.2869191858D-13  JZ =  0.5069488188D-14
 Jtot =  0.3066495266D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040966680D+01  Delta-E   2.708201D-06 A.U.
 Total angular momentum   3.066495D-14  Delta-A   8.707850D-16 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   6.765779391551D-01 Y=  -1.025590539257D+00 Z=  -1.470583402250D+00
 I=    2 X=  -1.953843571050D+00 Y=   3.866509620266D-01 Z=   5.515398165861D-02
 I=    3 X=   1.048834237922D+00 Y=   1.976130749420D+00 Z=  -7.548182209580D-03
 I=    4 X=   4.955634602766D-01 Y=  -9.606111325532D-01 Z=   1.807449464762D+00
 I=    5 X=  -2.243519871715D-02 Y=  -3.162723269829D-02 Z=  -3.229003070887D-02
 MW Cartesian velocity:
 I=    1 X=   3.675768703132D+13 Y=   1.721591183288D+14 Z=   1.262363157813D+14
 I=    2 X=   1.251990634775D+14 Y=   1.309442229723D+14 Z=   1.006142641965D+14
 I=    3 X=   2.343415371429D+13 Y=   1.525340448940D+14 Z=   2.059502966981D+13
 I=    4 X=  -4.429097862668D+12 Y=   6.980160654915D+13 Z=   6.666919202290D+13
 I=    5 X=  -5.244316226487D+13 Y=  -1.522734709107D+14 Z=  -9.103121727795D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.360016   -0.533755   -0.771709
      2          1           0       -1.027413    0.211511    0.034466
      3          1           0        0.556199    1.053656   -0.002911
      4          1           0        0.262001   -0.504639    0.959937
      5          6           0       -0.012665   -0.019046   -0.018459
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.769265   0.000000
     3  H    1.774658   1.793999   0.000000
     4  H    1.734662   1.741251   1.855239   0.000000
     5  C    0.985497   1.041955   1.214305   1.126277   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    164.7999175    155.7654363    151.4863840
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.4892520715 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.4901201781     A.U. after    7 cycles
             Convg  =    0.3394D-08             -V/T =  2.0047
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.024291006   -0.051693712   -0.076488964
      2        1          -0.038082633    0.000965680   -0.010234145
      3        1          -0.023314106   -0.046456221   -0.000915379
      4        1          -0.002600854    0.005988173   -0.016665508
      5        6           0.039706587    0.091196080    0.104303997
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.104303997 RMS     0.047933566
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step     10
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -2.429100590929D-02 Y=   5.169371234309D-02 Z=   7.648896444500D-02
 I=    2 X=   3.808263316982D-02 Y=  -9.656804678584D-04 Z=   1.023414479513D-02
 I=    3 X=   2.331410557787D-02 Y=   4.645622067124D-02 Z=   9.153789781019D-04
 I=    4 X=   2.600854403246D-03 Y=  -5.988172904949D-03 Z=   1.666550841664D-02
 I=    5 X=  -3.970658724164D-02 Y=  -9.119607964152D-02 Z=  -1.043039966349D-01

 Summary information for step     10
 Time (fs)     1.000000
 EKinC      =      0.0804566; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0804566; EPot   =    -40.4901202; ETot   =    -40.4096635
 ETot-EKinP =    -40.4096635
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.676678691253D-01
 Angular momentum
   JX = -0.7769915286D-14  JY =  0.2662682541D-13  JZ =  0.1077557957D-13
 Jtot =  0.2975689046D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040966353D+01  Delta-E   3.269960D-06 A.U.
 Total angular momentum   2.975689D-14  Delta-A  -9.080622D-16 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   6.803317073310D-01 Y=  -1.008650986574D+00 Z=  -1.458319173166D+00
 I=    2 X=  -1.941529576217D+00 Y=   3.996977832398D-01 Z=   6.513122993031D-02
 I=    3 X=   1.051063516802D+00 Y=   1.991120593385D+00 Z=  -5.500788275678D-03
 I=    4 X=   4.951099855721D-01 Y=  -9.536298422529D-01 Z=   1.814018245145D+00
 I=    5 X=  -2.393379819696D-02 Y=  -3.599090583046D-02 Z=  -3.488162353715D-02
 MW Cartesian velocity:
 I=    1 X=   3.881855138052D+13 Y=   1.676431219081D+14 Z=   1.195493579692D+14
 I=    2 X=   1.218424633424D+14 Y=   1.310227945718D+14 Z=   9.968420869344D+13
 I=    3 X=   2.129116734330D+13 Y=   1.483144119901D+14 Z=   2.051121266205D+13
 I=    4 X=  -4.673906267605D+12 Y=   7.036506843904D+13 Z=   6.516603722029D+13
 I=    5 X=  -5.137566633936D+13 Y=  -1.499279275708D+14 Z=  -8.836388047837D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.362122   -0.525046   -0.765596
      2          1           0       -1.021084    0.218420    0.039695
      3          1           0        0.557264    1.061359   -0.001832
      4          1           0        0.261748   -0.500915    0.963331
      5          6           0       -0.013442   -0.021317   -0.019787
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.764793   0.000000
     3  H    1.771467   1.789820   0.000000
     4  H    1.732006   1.736723   1.859992   0.000000
     5  C    0.975203   1.037475   1.224016   1.127947   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    165.5851611    155.6365258    151.3731017
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.5140126695 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.4862572038     A.U. after    7 cycles
             Convg  =    0.2853D-08             -V/T =  2.0043
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.028937869   -0.058264146   -0.086339505
      2        1          -0.042184665    0.001253754   -0.010757108
      3        1          -0.023906894   -0.048742582   -0.000952020
      4        1          -0.002547139    0.005858854   -0.017778059
      5        6           0.039700829    0.099894120    0.115826691
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.115826691 RMS     0.052826399
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step     11
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -2.893786930194D-02 Y=   5.826414595894D-02 Z=   8.633950475115D-02
 I=    2 X=   4.218466500240D-02 Y=  -1.253754082981D-03 Z=   1.075710753982D-02
 I=    3 X=   2.390689400005D-02 Y=   4.874258233734D-02 Z=   9.520196200883D-04
 I=    4 X=   2.547139492917D-03 Y=  -5.858854369757D-03 Z=   1.777805886519D-02
 I=    5 X=  -3.970082919343D-02 Y=  -9.989411984354D-02 Z=  -1.158266907763D-01

 Summary information for step     11
 Time (fs)     1.100000
 EKinC      =      0.0765975; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0765975; EPot   =    -40.4862572; ETot   =    -40.4096597
 ETot-EKinP =    -40.4096597
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.633203096909D-01
 Angular momentum
   JX = -0.7399599109D-14  JY =  0.2905515645D-13  JZ =  0.1131246340D-13
 Jtot =  0.3204571753D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040965972D+01  Delta-E   3.818718D-06 A.U.
 Total angular momentum   3.204572D-14  Delta-A   2.288827D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   6.843114508845D-01 Y=  -9.921923313506D-01 Z=  -1.446766533016D+00
 I=    2 X=  -1.929569864642D+00 Y=   4.127535929237D-01 Z=   7.501327495412D-02
 I=    3 X=   1.053075908116D+00 Y=   2.005678251941D+00 Z=  -3.461896192554D-03
 I=    4 X=   4.946323150469D-01 Y=  -9.465928587443D-01 Z=   1.820431976868D+00
 I=    5 X=  -2.540137419624D-02 Y=  -4.028332563250D-02 Z=  -3.739172172695D-02
 MW Cartesian velocity:
 I=    1 X=   4.130410347300D+13 Y=   1.625085476340D+14 Z=   1.119456872090D+14
 I=    2 X=   1.180942443937D+14 Y=   1.311264808020D+14 Z=   9.870406369891D+13
 I=    3 X=   1.908613879655D+13 Y=   1.438689163587D+14 Z=   2.042413430769D+13
 I=    4 X=  -4.914277272050D+12 Y=   7.091814029839D+13 Z=   6.355753976156D+13
 I=    5 X=  -5.030105986742D+13 Y=  -1.473419305645D+14 Z=  -8.538488833180D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.364370   -0.516623   -0.759908
      2          1           0       -1.014963    0.225335    0.044872
      3          1           0        0.558211    1.068823   -0.000758
      4          1           0        0.261483   -0.497163    0.966638
      5          6           0       -0.014202   -0.023547   -0.021067
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.760890   0.000000
     3  H    1.768480   1.785618   0.000000
     4  H    1.729717   1.732331   1.864460   0.000000
     5  C    0.965570   1.033350   1.233427   1.129546   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    166.2900224    155.5071573    151.2071468
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.5372956679 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.4822237434     A.U. after    7 cycles
             Convg  =    0.2425D-08             -V/T =  2.0038
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.033716741   -0.064628734   -0.096119892
      2        1          -0.046071076    0.001568716   -0.011255527
      3        1          -0.024370083   -0.050784411   -0.000990931
      4        1          -0.002479770    0.005692854   -0.018855372
      5        6           0.039204187    0.108151575    0.127221722
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.127221722 RMS     0.057614545
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step     12
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -3.371674092207D-02 Y=   6.462873388100D-02 Z=   9.611989165036D-02
 I=    2 X=   4.607107565505D-02 Y=  -1.568716086150D-03 Z=   1.125552705661D-02
 I=    3 X=   2.437008267543D-02 Y=   5.078441098869D-02 Z=   9.909308297188D-04
 I=    4 X=   2.479769657268D-03 Y=  -5.692853516010D-03 Z=   1.885537232626D-02
 I=    5 X=  -3.920418706567D-02 Y=  -1.081515752675D-01 Z=  -1.272217218629D-01

 Summary information for step     12
 Time (fs)     1.200000
 EKinC      =      0.0725683; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0725683; EPot   =    -40.4822237; ETot   =    -40.4096554
 ETot-EKinP =    -40.4096554
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.585710479779D-01
 Angular momentum
   JX = -0.4748946343D-14  JY =  0.2909036915D-13  JZ =  0.5328273872D-14
 Jtot =  0.2995317297D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040965540D+01  Delta-E   4.318972D-06 A.U.
 Total angular momentum   2.995317D-14  Delta-A  -2.092545D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   6.885603958658D-01 Y=  -9.762756991259D-01 Z=  -1.436017122875D+00
 I=    2 X=  -1.918002597705D+00 Y=   4.258210707212D-01 Z=   8.479525672200D-02
 I=    3 X=   1.054865896669D+00 Y=   2.019782455114D+00 Z=  -1.431850187693D-03
 I=    4 X=   4.941309531360D-01 Y=  -9.395013843294D-01 Z=   1.826680309075D+00
 I=    5 X=  -2.683793124245D-02 Y=  -4.449769615789D-02 Z=  -3.981132236346D-02
 MW Cartesian velocity:
 I=    1 X=   4.422977215660D+13 Y=   1.567699412047D+14 Z=   1.034253061917D+14
 I=    2 X=   1.139729902287D+14 Y=   1.312583226468D+14 Z=   9.767627014395D+13
 I=    3 X=   1.683179385626D+13 Y=   1.392213097187D+14 Z=   2.033349295166D+13
 I=    4 X=  -5.148949511184D+12 Y=   7.145743244426D+13 Z=   6.184677779083D+13
 I=    5 X=  -4.923325324507D+13 Y=  -1.445264775206D+14 Z=  -8.209575363889D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.366785   -0.508518   -0.754692
      2          1           0       -1.009069    0.232258    0.049993
      3          1           0        0.559038    1.076036    0.000312
      4          1           0        0.261205   -0.493382    0.969851
      5          6           0       -0.014946   -0.025733   -0.022295
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.757624   0.000000
     3  H    1.765731   1.781401   0.000000
     4  H    1.727839   1.728088   1.868632   0.000000
     5  C    0.956664   1.029594   1.242523   1.131066   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    166.9057234    155.3840839    150.9822401
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.5586689643 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.4780894431     A.U. after    7 cycles
             Convg  =    0.2278D-08             -V/T =  2.0034
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.038547388   -0.070680861   -0.105672672
      2        1          -0.049710275    0.001898156   -0.011733457
      3        1          -0.024716188   -0.052600405   -0.001030541
      4        1          -0.002398623    0.005489762   -0.019892812
      5        6           0.038277698    0.115893348    0.138329481
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.138329481 RMS     0.062237530
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step     13
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -3.854738788563D-02 Y=   7.068086148824D-02 Z=   1.056726715098D-01
 I=    2 X=   4.971027495410D-02 Y=  -1.898155951731D-03 Z=   1.173345747199D-02
 I=    3 X=   2.471618782091D-02 Y=   5.260040456422D-02 Z=   1.030540825817D-03
 I=    4 X=   2.398622697630D-03 Y=  -5.489761681121D-03 Z=   1.989281153145D-02
 I=    5 X=  -3.827769758700D-02 Y=  -1.158933484196D-01 Z=  -1.383294813390D-01

 Summary information for step     13
 Time (fs)     1.300000
 EKinC      =      0.0684388; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0684388; EPot   =    -40.4780894; ETot   =    -40.4096507
 ETot-EKinP =    -40.4096507
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.534380923694D-01
 Angular momentum
   JX = -0.9438678800D-14  JY =  0.2491176158D-13  JZ =  0.1502152148D-13
 Jtot =  0.3058317560D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040965067D+01  Delta-E   4.730222D-06 A.U.
 Total angular momentum   3.058318D-14  Delta-A   6.300026D-16 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   6.931229971582D-01 Y=  -9.609603008905D-01 Z=  -1.426161930574D+00
 I=    2 X=  -1.906863930870D+00 Y=   4.389031462089D-01 Z=   9.447254259766D-02
 I=    3 X=   1.056429172743D+00 Y=   2.033414207905D+00 Z=   5.889841378612D-04
 I=    4 X=   4.936065307241D-01 Y=  -9.323569619292D-01 Z=   1.832753219275D+00
 I=    5 X=  -2.824385739765D-02 Y=  -4.862756570265D-02 Z=  -4.213152227322D-02
 MW Cartesian velocity:
 I=    1 X=   4.760414527899D+13 Y=   1.504515008106D+14 Z=   9.400212511843D+13
 I=    2 X=   1.095003136057D+14 Y=   1.314202503217D+14 Z=   9.660292313581D+13
 I=    3 X=   1.453965044503D+13 Y=   1.343935571455D+14 Z=   2.023914587149D+13
 I=    4 X=  -5.376646507452D+12 Y=   7.197950668754D+13 Z=   6.003726417080D+13
 I=    5 X=  -4.818470652746D+13 Y=  -1.414945096492D+14 Z=  -7.850209145070D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.369389   -0.500762   -0.749997
      2          1           0       -1.003419    0.239190    0.055056
      3          1           0        0.559744    1.082991    0.001376
      4          1           0        0.260916   -0.489574    0.972967
      5          6           0       -0.015674   -0.027870   -0.023466
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.755062   0.000000
     3  H    1.763255   1.777178   0.000000
     4  H    1.726412   1.724007   1.872498   0.000000
     5  C    0.948551   1.026220   1.251294   1.132498   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    167.4243693    155.2729163    150.6931204
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.5776979860 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.4739299048     A.U. after    7 cycles
             Convg  =    0.2407D-08             -V/T =  2.0030
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.043336429   -0.076310969   -0.114827076
      2        1          -0.053073029    0.002228838   -0.012195544
      3        1          -0.024956883   -0.054208296   -0.001069566
      4        1          -0.002303635    0.005249417   -0.020885818
      5        6           0.036997118    0.123041010    0.148978004
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.148978004 RMS     0.066628845
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step     14
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -4.333642876958D-02 Y=   7.631096933641D-02 Z=   1.148270760320D-01
 I=    2 X=   5.307302861367D-02 Y=  -2.228838388278D-03 Z=   1.219554351122D-02
 I=    3 X=   2.495688270884D-02 Y=   5.420829648790D-02 Z=   1.069566333741D-03
 I=    4 X=   2.303635445438D-03 Y=  -5.249417312508D-03 Z=   2.088581764837D-02
 I=    5 X=  -3.699711799836D-02 Y=  -1.230410101235D-01 Z=  -1.489780035253D-01

 Summary information for step     14
 Time (fs)     1.400000
 EKinC      =      0.0642842; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0642842; EPot   =    -40.4739299; ETot   =    -40.4096457
 ETot-EKinP =    -40.4096457
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.479439228033D-01
 Angular momentum
   JX = -0.8100691879D-14  JY =  0.2710684943D-13  JZ =  0.1274817023D-13
 Jtot =  0.3103092553D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040964566D+01  Delta-E   5.010938D-06 A.U.
 Total angular momentum   3.103093D-14  Delta-A   4.477499D-16 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   6.980441917004D-01 Y=  -9.463024413702D-01 Z=  -1.417289825968D+00
 I=    2 X=  -1.896187719779D+00 Y=   4.520028835712D-01 Z=   1.040406899647D-01
 I=    3 X=   1.057762515766D+00 Y=   2.046556616271D+00 Z=   2.600234123159D-03
 I=    4 X=   4.930598065488D-01 Y=  -9.251614788087D-01 Z=   1.838641056454D+00
 I=    5 X=  -2.961987657090D-02 Y=  -5.266688548137D-02 Z=  -4.434364272656D-02
 MW Cartesian velocity:
 I=    1 X=   5.142770079083D+13 Y=   1.435875194530D+14 Z=   8.370537987344D+13
 I=    2 X=   1.047006676108D+14 Y=   1.316129968781D+14 Z=   9.548571474948D+13
 I=    3 X=   1.222009714089D+13 Y=   1.294059222932D+14 Z=   2.014108237174D+13
 I=    4 X=  -5.596080593090D+12 Y=   7.248089786543D+13 Z=   5.813294033621D+13
 I=    5 X=  -4.716602859222D+13 Y=  -1.382610458265D+14 Z=  -7.461400390110D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.372207   -0.493381   -0.745868
      2          1           0       -0.998031    0.246133    0.060059
      3          1           0        0.560327    1.089679    0.002435
      4          1           0        0.260615   -0.485741    0.975980
      5          6           0       -0.016387   -0.029957   -0.024575
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.753268   0.000000
     3  H    1.761086   1.772955   0.000000
     4  H    1.725477   1.720099   1.876050   0.000000
     5  C    0.941292   1.023237   1.259727   1.133834   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    167.8389889    155.1775759    150.3362657
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.5939559722 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.4698246386     A.U. after    7 cycles
             Convg  =    0.2596D-08             -V/T =  2.0026
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.047979105   -0.081410349   -0.123403700
      2        1          -0.056133046    0.002546960   -0.012646894
      3        1          -0.025103000   -0.055624823   -0.001107007
      4        1          -0.002194807    0.004971899   -0.021829980
      5        6           0.035451748    0.129516313    0.158987581
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.158987581 RMS     0.070717941
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step     15
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -4.797910480721D-02 Y=   8.141034933797D-02 Z=   1.234037003513D-01
 I=    2 X=   5.613304597465D-02 Y=  -2.546959995834D-03 Z=   1.264689374770D-02
 I=    3 X=   2.510299954291D-02 Y=   5.562482255936D-02 Z=   1.107007102971D-03
 I=    4 X=   2.194806914297D-03 Y=  -4.971899355990D-03 Z=   2.182997954255D-02
 I=    5 X=  -3.545174762465D-02 Y=  -1.295163125455D-01 Z=  -1.589875807446D-01

 Summary information for step     15
 Time (fs)     1.500000
 EKinC      =      0.0601841; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0601841; EPot   =    -40.4698246; ETot   =    -40.4096405
 ETot-EKinP =    -40.4096405
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.421156083893D-01
 Angular momentum
   JX = -0.4570287209D-14  JY =  0.2502831124D-13  JZ =  0.7455645613D-14
 Jtot =  0.2651208291D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040964053D+01  Delta-E   5.123484D-06 A.U.
 Total angular momentum   2.651208D-14  Delta-A  -4.518843D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   7.033685295941D-01 Y=  -9.323544996330D-01 Z=  -1.409485972455D+00
 I=    2 X=  -1.886005248300D+00 Y=   4.651233584247D-01 Z=   1.134954032854D-01
 I=    3 X=   1.058863685655D+00 Y=   2.059194722178D+00 Z=   4.601532036391D-03
 I=    4 X=   4.924916680266D-01 Y=  -9.179171682256D-01 Z=   1.844334583339D+00
 I=    5 X=  -3.096698932808D-02 Y=  -5.661007090529D-02 Z=  -4.643936379698D-02
 MW Cartesian velocity:
 I=    1 X=   5.569166489325D+13 Y=   1.362224853903D+14 Z=   7.258065661187D+13
 I=    2 X=   9.960109780493D+13 Y=   1.318360308542D+14 Z=   9.432588238973D+13
 I=    3 X=   9.882469676947D+12 Y=   1.242770603103D+14 Z=   2.003940103707D+13
 I=    4 X=  -5.805959832655D+12 Y=   7.295813484918D+13 Z=   5.613816500519D+13
 I=    5 X=  -4.618559456316D+13 Y=  -1.348432252018D+14 Z=  -7.044635230616D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.375260   -0.486401   -0.742346
      2          1           0       -0.992919    0.253088    0.065000
      3          1           0        0.560786    1.096093    0.003489
      4          1           0        0.260304   -0.481883    0.978885
      5          6           0       -0.017085   -0.031990   -0.025618
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.752303   0.000000
     3  H    1.759254   1.768739   0.000000
     4  H    1.725071   1.716373   1.879281   0.000000
     5  C    0.934945   1.020653   1.267814   1.135066   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    168.1436130    155.1001079    149.9102069
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.6070353125 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.4658544560     A.U. after    7 cycles
             Convg  =    0.2651D-08             -V/T =  2.0023
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.052362213   -0.085875292   -0.131220301
      2        1          -0.058867487    0.002838439   -0.013092928
      3        1          -0.025164544   -0.056865730   -0.001142140
      4        1          -0.002072197    0.004657518   -0.022721088
      5        6           0.033742015    0.135245064    0.168176457
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.168176457 RMS     0.074432776
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step     16
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -5.236221293935D-02 Y=   8.587529171730D-02 Z=   1.312203008422D-01
 I=    2 X=   5.886748706782D-02 Y=  -2.838439461286D-03 Z=   1.309292838518D-02
 I=    3 X=   2.516454427620D-02 Y=   5.686572992829D-02 Z=   1.142139723067D-03
 I=    4 X=   2.072196881758D-03 Y=  -4.657518090646D-03 Z=   2.272108824564D-02
 I=    5 X=  -3.374201528643D-02 Y=  -1.352450640937D-01 Z=  -1.681764571961D-01

 Summary information for step     16
 Time (fs)     1.600000
 EKinC      =      0.0562190; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0562190; EPot   =    -40.4658545; ETot   =    -40.4096355
 ETot-EKinP =    -40.4096355
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.359847598971D-01
 Angular momentum
   JX = -0.1133191807D-13  JY =  0.2861249073D-13  JZ =  0.9175806946D-14
 Jtot =  0.3211358632D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040963550D+01  Delta-E   5.036650D-06 A.U.
 Total angular momentum   3.211359D-14  Delta-A   5.601503D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   7.091391998438D-01 Y=  -9.191639173625D-01 Z=  -1.402830158122D+00
 I=    2 X=  -1.876344984006D+00 Y=   4.782675290749D-01 Z=   1.228324864617D-01
 I=    3 X=   1.059731321722D+00 Y=   2.071315348100D+00 Z=   6.592524856845D-03
 I=    4 X=   4.919031312771D-01 Y=  -9.106266089707D-01 Z=   1.849825017269D+00
 I=    5 X=  -3.228640311627D-02 Y=  -6.045206271824D-02 Z=  -4.841086477330D-02
 MW Cartesian velocity:
 I=    1 X=   6.037708965199D+13 Y=   1.284108102143D+14 Z=   6.069042814491D+13
 I=    2 X=   9.423094332757D+13 Y=   1.320875152618D+14 Z=   9.312416963884D+13
 I=    3 X=   7.535127452275D+12 Y=   1.190241114147D+14 Z=   1.993428619321D+13
 I=    4 X=  -6.004995756180D+12 Y=   7.340776199501D+13 Z=   5.405769797958D+13
 I=    5 X=  -4.524921181167D+13 Y=  -1.312602498426D+14 Z=  -6.601888974714D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.378572   -0.479843   -0.739470
      2          1           0       -0.988097    0.260058    0.069877
      3          1           0        0.561121    1.102227    0.004537
      4          1           0        0.259982   -0.478002    0.981679
      5          6           0       -0.017769   -0.033967   -0.026592
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.752221   0.000000
     3  H    1.757787   1.764538   0.000000
     4  H    1.725230   1.712839   1.882183   0.000000
     5  C    0.929563   1.018475   1.275547   1.136188   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    168.3333697    155.0409200    149.4153821
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.6165595292 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.4620984051     A.U. after    7 cycles
             Convg  =    0.2464D-08             -V/T =  2.0020
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.056368153   -0.089611675   -0.138098804
      2        1          -0.061257406    0.003089220   -0.013539220
      3        1          -0.025150720   -0.057945811   -0.001174510
      4        1          -0.001935924    0.004306798   -0.023555197
      5        6           0.031975897    0.140161468    0.176367732
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.176367732 RMS     0.077702979
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step     17
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -5.636815273386D-02 Y=   8.961167548035D-02 Z=   1.380988038094D-01
 I=    2 X=   6.125740551398D-02 Y=  -3.089220403167D-03 Z=   1.353922019213D-02
 I=    3 X=   2.515072044014D-02 Y=   5.794581088142D-02 Z=   1.174510173525D-03
 I=    4 X=   1.935923773991D-03 Y=  -4.306797802531D-03 Z=   2.355519745016D-02
 I=    5 X=  -3.197589699426D-02 Y=  -1.401614681561D-01 Z=  -1.763677316252D-01

 Summary information for step     17
 Time (fs)     1.700000
 EKinC      =      0.0524676; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0524676; EPot   =    -40.4620984; ETot   =    -40.4096308
 ETot-EKinP =    -40.4096308
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.295872951735D-01
 Angular momentum
   JX = -0.8542653329D-14  JY =  0.2650026779D-13  JZ =  0.6953353366D-14
 Jtot =  0.2869826200D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040963077D+01  Delta-E   4.729989D-06 A.U.
 Total angular momentum   2.869826D-14  Delta-A  -3.415324D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   7.153969777048D-01 Y=  -9.067722336373D-01 Z=  -1.397395100404D+00
 I=    2 X=  -1.867232365759D+00 Y=   4.914381051698D-01 Z=   1.320477920940D-01
 I=    3 X=   1.060364849261D+00 Y=   2.082906950713D+00 Z=   8.572881574462D-03
 I=    4 X=   4.912953404083D-01 Y=  -9.032927227419D-01 Z=   1.855104069230D+00
 I=    5 X=  -3.357945379009D-02 Y=  -6.418838496334D-02 Z=  -5.025096617369D-02
 MW Cartesian velocity:
 I=    1 X=   6.545425309900D+13 Y=   1.202161466682D+14 Z=   4.811399245762D+13
 I=    2 X=   8.862149407237D+13 Y=   1.323642968965D+14 Z=   9.188080398619D+13
 I=    3 X=   5.185530712864D+12 Y=   1.136627910462D+14 Z=   1.982598185145D+13
 I=    4 X=  -6.191909995697D+12 Y=   7.382636041275D+13 Z=   5.189667896471D+13
 I=    5 X=  -4.435986719745D+13 Y=  -1.275332162285D+14 Z=  -6.135622310973D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.382161   -0.473727   -0.737273
      2          1           0       -0.983576    0.267043    0.074687
      3          1           0        0.561332    1.108076    0.005579
      4          1           0        0.259651   -0.474100    0.984356
      5          6           0       -0.018441   -0.035886   -0.027492
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.753070   0.000000
     3  H    1.756710   1.760356   0.000000
     4  H    1.725983   1.709504   1.884754   0.000000
     5  C    0.925189   1.016707   1.282918   1.137191   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    168.4045812    154.9992928    148.8536941
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.6221953499 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.4586304160     A.U. after    7 cycles
             Convg  =    0.2001D-08             -V/T =  2.0018
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.059879872   -0.092539712   -0.143873177
      2        1          -0.063288038    0.003285585   -0.013991315
      3        1          -0.025069962   -0.058878950   -0.001203925
      4        1          -0.001786161    0.003920456   -0.024328677
      5        6           0.030264289    0.144212621    0.183397094
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.183397094 RMS     0.080463427
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step     18
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -5.987987226288D-02 Y=   9.253971218936D-02 Z=   1.438731770954D-01
 I=    2 X=   6.328803776224D-02 Y=  -3.285585231547D-03 Z=   1.399131527880D-02
 I=    3 X=   2.506996216836D-02 Y=   5.887894979533D-02 Z=   1.203925087470D-03
 I=    4 X=   1.786161390039D-03 Y=  -3.920455979121D-03 Z=   2.432867655136D-02
 I=    5 X=  -3.026428905776D-02 Y=  -1.442126207740D-01 Z=  -1.833970940131D-01

 Summary information for step     18
 Time (fs)     1.800000
 EKinC      =      0.0490038; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0490038; EPot   =    -40.4586304; ETot   =    -40.4096266
 ETot-EKinP =    -40.4096266
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.229629997866D-01
 Angular momentum
   JX = -0.6197533439D-14  JY =  0.3101023723D-13  JZ =  0.1093064850D-13
 Jtot =  0.3345927839D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040962657D+01  Delta-E   4.198577D-06 A.U.
 Total angular momentum   3.345928D-14  Delta-A   4.761016D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   7.221791309098D-01 Y=  -8.952142091105D-01 Z=  -1.393244789483D+00
 I=    2 X=  -1.858689627494D+00 Y=   5.046374168272D-01 Z=   1.411371694050D-01
 I=    3 X=   1.060764393828D+00 Y=   2.093959483352D+00 Z=   1.054229778096D-02
 I=    4 X=   4.906695662192D-01 Y=  -8.959187694483D-01 Z=   1.860163980502D+00
 I=    5 X=  -3.484752124304D-02 Y=  -6.781519639025D-02 Z=  -5.195326796618D-02
 MW Cartesian velocity:
 I=    1 X=   7.088247690342D+13 Y=   1.117102696008D+14 Z=   3.494671603037D+13
 I=    2 X=   8.280561395939D+13 Y=   1.326619258565D+14 Z=   9.059549232615D+13
 I=    3 X=   2.840316403072D+12 Y=   1.082074754851D+14 Z=   1.971476463744D+13
 I=    4 X=  -6.365439551816D+12 Y=   7.421056777487D+13 Z=   4.966060100567D+13
 I=    5 X=  -4.351758550817D+13 Y=  -1.236848271592D+14 Z=  -5.648757694857D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.386044   -0.468066   -0.735785
      2          1           0       -0.979367    0.274044    0.079428
      3          1           0        0.561420    1.113635    0.006615
      4          1           0        0.259311   -0.470178    0.986914
      5          6           0       -0.019099   -0.037746   -0.028317
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.754893   0.000000
     3  H    1.756045   1.756201   0.000000
     4  H    1.727356   1.706377   1.886987   0.000000
     5  C    0.921861   1.015350   1.289922   1.138071   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    168.3548522    154.9739319    148.2280028
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.6236642036 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.4555158860     A.U. after    7 cycles
             Convg  =    0.1795D-08             -V/T =  2.0016
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.062786415   -0.094598387   -0.148397576
      2        1          -0.064949041    0.003414451   -0.014454571
      3        1          -0.024929969   -0.059678166   -0.001230433
      4        1          -0.001623135    0.003499381   -0.025038259
      5        6           0.028715729    0.147362721    0.189120838
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.189120838 RMS     0.082657991
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step     19
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -6.278641547494D-02 Y=   9.459838716719D-02 Z=   1.483975755281D-01
 I=    2 X=   6.494904060366D-02 Y=  -3.414451052707D-03 Z=   1.445457059178D-02
 I=    3 X=   2.492996892560D-02 Y=   5.967816568736D-02 Z=   1.230433336470D-03
 I=    4 X=   1.623135031606D-03 Y=  -3.499380524470D-03 Z=   2.503825865731D-02
 I=    5 X=  -2.871572908592D-02 Y=  -1.473627212774D-01 Z=  -1.891208381137D-01

 Summary information for step     19
 Time (fs)     1.900000
 EKinC      =      0.0458928; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0458928; EPot   =    -40.4555159; ETot   =    -40.4096231
 ETot-EKinP =    -40.4096231
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.161548798820D-01
 Angular momentum
   JX = -0.8397733356D-14  JY =  0.3046770234D-13  JZ =  0.3861752038D-14
 Jtot =  0.3183890608D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040962311D+01  Delta-E   3.456106D-06 A.U.
 Total angular momentum   3.183891D-14  Delta-A  -1.620372D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   7.295183306933D-01 Y=  -8.845170837274D-01 Z=  -1.390432943685D+00
 I=    2 X=  -1.850735660858D+00 Y=   5.178672871763D-01 Z=   1.500964126021D-01
 I=    3 X=   1.060930702942D+00 Y=   2.104464266767D+00 Z=   1.250049757622D-02
 I=    4 X=   4.900272044350D-01 Y=  -8.885083406378D-01 Z=   1.864997556408D+00
 I=    5 X=  -3.609194276085D-02 Y=  -7.132933178885D-02 Z=  -5.351227794941D-02
 MW Cartesian velocity:
 I=    1 X=   7.661043337302D+13 Y=   1.029715282598D+14 Z=   2.129852870277D+13
 I=    2 X=   7.681733968377D+13 Y=   1.329747035592D+14 Z=   8.926743331426D+13
 I=    3 X=   5.053708706491D+11 Y=   1.026712832855D+14 Z=   1.960091787793D+13
 I=    4 X=  -6.524340957404D+12 Y=   7.455709579130D+13 Z=   4.735527884858D+13
 I=    5 X=  -4.271942200903D+13 Y=  -1.197389858044D+14 Z=  -5.144634419738D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.390237   -0.462871   -0.735028
      2          1           0       -0.975478    0.281061    0.084097
      3          1           0        0.561386    1.118900    0.007645
      4          1           0        0.258963   -0.466240    0.989349
      5          6           0       -0.019746   -0.039545   -0.029064
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.757720   0.000000
     3  H    1.755806   1.752075   0.000000
     4  H    1.729370   1.703462   1.888880   0.000000
     5  C    0.919607   1.014405   1.296555   1.138821   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    168.1831444    154.9633955    147.5417178
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.6207524139 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.4528084824     A.U. after    7 cycles
             Convg  =    0.2783D-08             -V/T =  2.0015
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.064988660   -0.095749152   -0.151554106
      2        1          -0.066234563    0.003463656   -0.014933989
      3        1          -0.024737746   -0.060355665   -0.001254308
      4        1          -0.001447118    0.003044604   -0.025681080
      5        6           0.027430767    0.149596557    0.193423482
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.193423482 RMS     0.084243120
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step     20
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -6.498866030799D-02 Y=   9.574915217485D-02 Z=   1.515541057076D-01
 I=    2 X=   6.623456301858D-02 Y=  -3.463655537162D-03 Z=   1.493398890104D-02
 I=    3 X=   2.473774646990D-02 Y=   6.035566488419D-02 Z=   1.254307560169D-03
 I=    4 X=   1.447118215350D-03 Y=  -3.044604327195D-03 Z=   2.568107983695D-02
 I=    5 X=  -2.743076739585D-02 Y=  -1.495965571947D-01 Z=  -1.934234820058D-01

 Summary information for step     20
 Time (fs)     2.000000
 EKinC      =      0.0431879; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0431879; EPot   =    -40.4528085; ETot   =    -40.4096206
 ETot-EKinP =    -40.4096206
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.092083226515D-01
 Angular momentum
   JX = -0.7663329690D-14  JY =  0.2490898825D-13  JZ =  0.5603696181D-14
 Jtot =  0.2665681392D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040962058D+01  Delta-E   2.535502D-06 A.U.
 Total angular momentum   2.665681D-14  Delta-A  -5.182092D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   7.374416191795D-01 Y=  -8.747000092427D-01 Z=  -1.389001652743D+00
 I=    2 X=  -1.843385918923D+00 Y=   5.311289110516D-01 Z=   1.589212112624D-01
 I=    3 X=   1.060865074853D+00 Y=   2.114413867798D+00 Z=   1.444723299689D-02
 I=    4 X=   4.893697735807D-01 Y=  -8.810653513193D-01 Z=   1.869598196654D+00
 I=    5 X=  -3.731392822269D-02 Y=  -7.472832995892D-02 Z=  -5.492352403330D-02
 MW Cartesian velocity:
 I=    1 X=   8.257698029983D+13 Y=   9.408291964877D+13 Z=   7.291675271313D+12
 I=    2 X=   7.069146488595D+13 Y=   1.332957568651D+14 Z=   8.789534475654D+13
 I=    3 X=  -1.814101978807D+12 Y=   9.706615283614D+13 Z=   1.948470832231D+13
 I=    4 X=  -6.667393857381D+12 Y=   7.486274501965D+13 Z=   4.498681293249D+13
 I=    5 X=  -4.195960258848D+13 Y=  -1.157202856085D+14 Z=  -4.626942533267D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.394750   -0.458148   -0.735017
      2          1           0       -0.971915    0.288096    0.088694
      3          1           0        0.561229    1.123868    0.008669
      4          1           0        0.258608   -0.462286    0.991657
      5          6           0       -0.020381   -0.041281   -0.029731
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.761576   0.000000
     3  H    1.756006   1.747984   0.000000
     4  H    1.732037   1.700765   1.890431   0.000000
     5  C    0.918444   1.013869   1.302811   1.139436   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    167.8898314    154.9663464    146.7985426
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.6133193807 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
 Harris functional with IExCor=  402 diagonalized for initial guess.
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1
 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
         Omega=  0.000000  0.000000  1.000000  0.000000  0.000000 ICntrl=     500 IOpCl=  0
         NMat0=    1 NMatS0=    1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
         I1Cent=           4 NGrid=           0.
 Symmetry not used in FoFCou.
 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.
 Keep R1 ints in memory in canonical form, NReq=929948.
 SCF Done:  E(RB3LYP) =  -40.4505474479     A.U. after    7 cycles
             Convg  =    0.3537D-08             -V/T =  2.0015
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.066404765   -0.095978417   -0.153259443
      2        1          -0.067143224    0.003422206   -0.015434072
      3        1          -0.024499648   -0.060922867   -0.001276017
      4        1          -0.001258431    0.002557282   -0.026254712
      5        6           0.026496537    0.150921796    0.196224244
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.196224244 RMS     0.085190899
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ

 ADMP step     21
 Frobenius norm of [F,P] =     0.000000D+00
 Current gradient on entry to l121
 I=    1 X=  -6.640476532081D-02 Y=   9.597841725240D-02 Z=   1.532594429237D-01
 I=    2 X=   6.714322375868D-02 Y=  -3.422206402515D-03 Z=   1.543407212145D-02
 I=    3 X=   2.449964774162D-02 Y=   6.092286715168D-02 Z=   1.276017027946D-03
 I=    4 X=   1.258430678879D-03 Y=  -2.557281852880D-03 Z=   2.625471207727D-02
 I=    5 X=  -2.649653685837D-02 Y=  -1.509217961487D-01 Z=  -1.962242441504D-01

 Summary information for step     21
 Time (fs)     2.100000
 EKinC      =      0.0409284; EKinPA =      0.0000000; EKinPB =      0.0000000
 EKin       =      0.0409284; EPot   =    -40.4505474; ETot   =    -40.4096191
 ETot-EKinP =    -40.4096191
 Adiabaticity Index =    0.0000D+00
 Total Fictitiious Kinetic Energy =      0.0000000
 Integrand for the Velocity-Velocity Auto-Correlation  Function =   1.021700997956D-01
 Angular momentum
   JX = -0.8111285869D-14  JY =  0.2815430191D-13  JZ =  0.7119650559D-14
 Jtot =  0.3015206624D-13 H-BAR;  J (Quantum Number) =  0.0000000000D+00
 Total energy  -4.040961909D+01  Delta-E   1.487727D-06 A.U.
 Total angular momentum   3.015207D-14  Delta-A   3.495252D-15 h-bar
 Tr(PA)-NA = -5.000D+00
 Tr(PA**2-PA) =  0.000D+00
 Tr[(PA**2-PA)**2] =  0.000D+00
 Cartesian coordinates:
 I=    1 X=   7.459694867262D-01 Y=  -8.657736907679D-01 Z=  -1.388980281125D+00
 I=    2 X=  -1.836652361676D+00 Y=   5.444227423013D-01 Z=   1.676071041520D-01
 I=    3 X=   1.060569293811D+00 Y=   2.123801985584D+00 Z=   1.638228128522D-02
 I=    4 X=   4.886989125033D-01 Y=  -8.735940304403D-01 Z=   1.873959921904D+00
 I=    5 X=  -3.851448154581D-02 Y=  -7.801044559352D-02 Z=  -5.618364446651D-02
 MW Cartesian velocity:
 I=    1 X=   8.871252002635D+13 Y=   8.512987393091D+13 Z=  -6.942204281282D+12
 I=    2 X=   6.446312175023D+13 Y=   1.336171356715D+14 Z=   8.647750417977D+13
 I=    3 X=  -4.113517808930D+12 Y=   9.140291704875D+13 Z=   1.936636619419D+13
 I=    4 X=  -6.793404809264D+12 Y=   7.512441731773D+13 Z=   4.256155008479D+13
 I=    5 X=  -4.122981348439D+13 Y=  -1.116534220321D+14 Z=  -4.099637680301D+13
 TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ-TRJ
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0        0.399590   -0.453897   -0.735760
      2          1           0       -0.968682    0.295148    0.093214
      3          1           0        0.560952    1.128536    0.009687
      4          1           0        0.258247   -0.458320    0.993836
      5          6           0       -0.021005   -0.042956   -0.030317
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  H    1.766475   0.000000
     3  H    1.756650   1.743930   0.000000
     4  H    1.735367   1.698289   1.891637   0.000000
     5  C    0.918380   1.013738   1.308689   1.139911   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH4
 Framework group  C1[X(CH4)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):    167.4767385    154.9816452    146.0023476
 Standard basis: 6-31G (6D, 7F)
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
    17 basis functions,    38 primitive gaussians,    17 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy        13.6013031368 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   50 NAOKFM=F Big=F
 One-electron integrals computed using PRISM.
 NBasis=    17 RedAO= T  NBF=    17
 NBsUse=    17 1.00D-06 NBFU=    17
 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.
