
 Distributed Data Interface kickoff program.
 Initiating 1 compute processes on 1 nodes to run the following command:
 D:\WinGAMESS/gamess.06.exe CH2_BSSE_C 

          ******************************************************
          *         GAMESS VERSION = 22 FEB 2006 (R2)          *
          *             FROM IOWA STATE UNIVERSITY             *
          * M.W.SCHMIDT, K.K.BALDRIDGE, J.A.BOATZ, S.T.ELBERT, *
          *   M.S.GORDON, J.H.JENSEN, S.KOSEKI, N.MATSUNAGA,   *
          *          K.A.NGUYEN, S.J.SU, T.L.WINDUS,           *
          *       TOGETHER WITH M.DUPUIS, J.A.MONTGOMERY       *
          *         J.COMPUT.CHEM.  14, 1347-1363(1993)        *
          ******************* WINDOWS VERSION ******************

     SINCE 1993, STUDENTS AND POSTDOCS WORKING AT IOWA STATE UNIVERSITY
     AND ALSO IN THEIR VARIOUS JOBS AFTER LEAVING ISU HAVE MADE IMPORTANT
     CONTRIBUTIONS TO THE CODE:
     IVANA ADAMOVIC, CHRISTINE AIKENS, YURI ALEXEEV, POOJA ARORA, ROB BELL,
     PRADIPTA BANDYOPADHYAY, BRETT BODE, GALINA CHABAN, WEI CHEN,
     CHEOL HO CHOI, PAUL DAY, TIM DUDLEY, DMITRI FEDOROV, GRAHAM FLETCHER,
     MARK FREITAG, KURT GLAESEMANN, GRANT MERRILL, TAKESHI NAGATA,
     HEATHER NETZLOFF, BOSILJKA NJEGIC, RYAN OLSON, MIKE PAK, JIM SHOEMAKER,
     LYUDMILA SLIPCHENKO, JIE SONG, TETSUYA TAKETSUGU, SIMON WEBB.

     ADDITIONAL CODE HAS BEEN PROVIDED BY COLLABORATORS IN OTHER GROUPS:
     IOWA STATE UNIVERSITY: JOE IVANIC, KLAUS RUEDENBERG
     UNIVERSITY OF TOKYO: KIMIHIKO HIRAO, HARUYUKI NAKANO, TAKAHITO
          NAKAJIMA, TAKAO TSUNEDA, MUNEAKI KAMIYA, SUSUMU YANAGISAWA,
          KIYOSHI YAGI
     UNIVERSITY OF SOUTHERN DENMARK: FRANK JENSEN
     UNIVERSITY OF IOWA: VISVALDAS KAIRYS, HUI LI
     NATIONAL INST. OF STANDARDS AND TECHNOLOGY: WALT STEVENS, DAVID GARMER
     UNIVERSITY OF PISA: BENEDETTA MENNUCCI, JACOPO TOMASI
     UNIVERSITY OF MEMPHIS: HENRY KURTZ, PRAKASHAN KORAMBATH
     UNIVERSITY OF ALBERTA: MARIUSZ KLOBUKOWSKI
     UNIVERSITY OF NEW ENGLAND: MARK SPACKMAN
     MIE UNIVERSITY: HIROAKI UMEDA
     MICHIGAN STATE UNIVERSITY:
          KAROL KOWALSKI, MARTA WLOCH, PIOTR PIECUCH
     UNIVERSITY OF SILESIA: MONIKA MUSIAL, STANISLAW KUCHARSKI
     FACULTES UNIVERSITAIRES NOTRE-DAME DE LA PAIX:
          OLIVIER QUINET, BENOIT CHAMPAGNE
     UNIVERSITY OF CALIFORNIA - SANTA BARBARA: BERNARD KIRTMAN
     INSTITUTE FOR MOLECULAR SCIENCE: KAZUYA ISHIMURA AND SHIGERU NAGASE
     UNIVERSITY OF NOTRE DAME: DAN CHIPMAN
 EXECUTION OF GAMESS BEGUN Thu Sep 16 23:04:01 2010

            ECHO OF THE FIRST FEW INPUT CARDS -
 INPUT CARD> $CONTRL SCFTYP=UHF MULT=3 RUNTYP=GRADIENT LOCAL=BOYS $END                      
 INPUT CARD> $SYSTEM TIMLIM=1 $END                                                          
 INPUT CARD> $BASIS  GBASIS=STO NGAUSS=2 $END                                               
 INPUT CARD> $GUESS  GUESS=HUCKEL $END                                                      
 INPUT CARD> $DATA                                                                          
 INPUT CARD>Methylene...3-B-1 state...UHF/STO-2G                                            
 INPUT CARD>Cnv  2                                                                          
 INPUT CARD>                                                                                
 INPUT CARD>Carbon     6.0                                                                  
 INPUT CARD>Hydrogen   -1.0    0.0      0.82884      0.7079                                 
 INPUT CARD> $END                                                                           

 ..... DONE SETTING UP THE RUN .....
   10000000 WORDS OF MEMORY AVAILABLE

     BASIS OPTIONS
     -------------
     GBASIS=STO          IGAUSS=       2      POLAR=NONE    
     NDFUNC=       0     NFFUNC=       0     DIFFSP=       F
     NPFUNC=       0      DIFFS=       F


     RUN TITLE
     ---------
 Methylene...3-B-1 state...UHF/STO-2G                                            

 THE POINT GROUP OF THE MOLECULE IS CNV     
 THE ORDER OF THE PRINCIPAL AXIS IS     2

 ATOM      ATOMIC                      COORDINATES (BOHR)
           CHARGE         X                   Y                   Z
 CARBON      6.0     0.0000000000        0.0000000000        0.0000000000
 HYDROGEN    0.0     0.0000000000       -1.5662804877        1.3377370267
 HYDROGEN    0.0     0.0000000000        1.5662804877        1.3377370267

          INTERNUCLEAR DISTANCES (ANGS.)
          ------------------------------

                    CARBON         HYDROGEN       HYDROGEN  

  1  CARBON          0.0000000      1.0899992 *    1.0899992 *  
  2  HYDROGEN        1.0899992 *    0.0000000      1.6576800 *  
  3  HYDROGEN        1.0899992 *    1.6576800 *    0.0000000    

  * ... LESS THAN  3.000


     ATOMIC BASIS SET
     ----------------
 THE CONTRACTED PRIMITIVE FUNCTIONS HAVE BEEN UNNORMALIZED
 THE CONTRACTED BASIS FUNCTIONS ARE NOW NORMALIZED TO UNITY

  SHELL TYPE  PRIMITIVE        EXPONENT          CONTRACTION COEFFICIENT(S)

 CARBON    

      1   S       1            27.3850330    0.430128498301
      1   S       2             4.8745221    0.678913530502

      2   L       3             1.1367482    0.049471769201    0.511540707616
      2   L       4             0.2883094    0.963782408119    0.612819896119

 HYDROGEN  

      4   S       5             1.3097564    0.430128498301
      4   S       6             0.2331360    0.678913530502

 TOTAL NUMBER OF BASIS SET SHELLS             =    4
 NUMBER OF CARTESIAN GAUSSIAN BASIS FUNCTIONS =    7
 NUMBER OF ELECTRONS                          =    6
 CHARGE OF MOLECULE                           =    0
 SPIN MULTIPLICITY                            =    3
 NUMBER OF OCCUPIED ORBITALS (ALPHA)          =    4
 NUMBER OF OCCUPIED ORBITALS (BETA )          =    2
 TOTAL NUMBER OF ATOMS                        =    3
 THE NUCLEAR REPULSION ENERGY IS        0.0000000000

 THIS MOLECULE IS RECOGNIZED AS BEING LINEAR.

     $CONTRL OPTIONS
     ---------------
 SCFTYP=UHF          RUNTYP=GRADIENT     EXETYP=RUN     
 MPLEVL=       0     CITYP =NONE         CCTYP =NONE         VBTYP =NONE    
 MULT  =       3     ICHARG=       0     NZVAR =       0     COORD =UNIQUE  
 PP    =NONE         RELWFN=NONE         LOCAL =BOYS         NUMGRD=       F
 ISPHER=      -1     NOSYM =       0     MAXIT =      50     UNITS =ANGS    
 PLTORB=       F     MOLPLT=       F     AIMPAC=       F     FRIEND=        
 NPRINT=       7     IREST =       0     GEOM  =INPUT   
 NORMF =       0     NORMP =       0     ITOL  =      20     ICUT  =       9
 INTTYP=BEST         GRDTYP=BEST         QMTTOL= 1.0E-06

     $SYSTEM OPTIONS
     ---------------
  REPLICATED MEMORY=    10000000 WORDS (ON EVERY NODE).
 DISTRIBUTED MEMDDI=           0 MILLION WORDS IN AGGREGATE,
 MEMDDI DISTRIBUTED OVER   1 PROCESSORS IS           0 WORDS/PROCESSOR.
 TOTAL MEMORY REQUESTED ON EACH PROCESSOR=    10000000 WORDS.
 TIMLIM=           1.00 MINUTES, OR     0.00 DAYS.
 PARALL= F  BALTYP=  NXTVAL  KDIAG=    0  COREFL= F

          ----------------
          PROPERTIES INPUT
          ----------------

     MOMENTS            FIELD           POTENTIAL          DENSITY
 IEMOM =       1   IEFLD =       0   IEPOT =       0   IEDEN =       0
 WHERE =COMASS     WHERE =NUCLEI     WHERE =NUCLEI     WHERE =NUCLEI  
 OUTPUT=BOTH       OUTPUT=BOTH       OUTPUT=BOTH       OUTPUT=BOTH    
 IEMINT=       0   IEFINT=       0                     IEDINT=       0
                                                       MORB  =       0
          EXTRAPOLATION IN EFFECT
 ORBITAL PRINTING OPTION: NPREO=   1   7   2   1

     -------------------------------
     INTEGRAL TRANSFORMATION OPTIONS
     -------------------------------
     NWORD  =       0     CUTOFF = 1.0E-09
     MPTRAN =       0     DIRTRF =       F
     AOINTS =DUP     

          -----------------------------
          LOCALIZATION INPUT PARAMETERS
          -----------------------------
           LOCAL=BOYS          NOUTA=       1
          PRTLOC=       F      NOUTB=       1
          MAXLOC=     250     CVGLOC=1.00E-06
           FCORE=       T     SYMLOC=       F
          MOIDON=       F     EDCOMP=       F
          DIPDCM=       F      NPROT=       0
          QADDCM=       F     DEPRNT=       F
          POLNUM=       F     ORIENT=       F
          POLDYN=       F
          MOOUTA =      1
          MOOUTB =      1

          ----------------------
          INTEGRAL INPUT OPTIONS
          ----------------------
 NOPK  =       1 NORDER=       0 SCHWRZ=       F

     ------------------------------------------
     THE POINT GROUP IS CNV, NAXIS= 2, ORDER= 4
     ------------------------------------------

     DIMENSIONS OF THE SYMMETRY SUBSPACES ARE
 A1  =    4     A2  =    0     B1  =    1     B2  =    2

 ..... DONE SETTING UP THE RUN .....
 STEP CPU TIME =     0.05 TOTAL CPU TIME =        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  64.10%

                    --------------------------------
                    SINGLE POINT ENERGY AND GRADIENT
                    --------------------------------

          ********************
          1 ELECTRON INTEGRALS
          ********************
 ...... END OF ONE-ELECTRON INTEGRALS ......
 STEP CPU TIME =     0.01 TOTAL CPU TIME =        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  68.18%

          -------------
          GUESS OPTIONS
          -------------
          GUESS =HUCKEL            NORB  =       0          NORDER=       0
          MIX   =       F          PRTMO =       F          PUNMO =       F
          TOLZ  = 1.0E-08          TOLE  = 1.0E-05
          SYMDEN=       F          PURIFY=       F

 INITIAL GUESS ORBITALS GENERATED BY HUCKEL   ROUTINE.
 HUCKEL GUESS REQUIRES      2459 WORDS.

 SYMMETRIES FOR INITIAL GUESS ORBITALS FOLLOW.  ALPHA SET(S).
     4 ORBITALS ARE OCCUPIED (    1 CORE ORBITALS).
     2=A1       3=B1       4=B2       5=A1       6=A1       7=B2  

 SYMMETRIES FOR INITIAL GUESS ORBITALS FOLLOW.   BETA SET(S).
     2 ORBITALS ARE OCCUPIED (    1 CORE ORBITALS).
     2=A1       3=B1       4=B2       5=A1       6=A1       7=B2  
 ...... END OF INITIAL ORBITAL SELECTION ......
 STEP CPU TIME =     0.01 TOTAL CPU TIME =        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  75.27%

                    ----------------------
                    AO INTEGRAL TECHNOLOGY
                    ----------------------
     S,P,L SHELL ROTATED AXIS INTEGRALS, REPROGRAMMED BY
        KAZUYA ISHIMURA (IMS) AND JOSE SIERRA (SYNSTAR).
     S,P,D,L SHELL ROTATED AXIS INTEGRALS PROGRAMMED BY
        KAZUYA ISHIMURA (INSTITUTE FOR MOLECULAR SCIENCE).
     S,P,D,F,G SHELL TO TOTAL QUARTET ANGULAR MOMENTUM SUM 5,
        ERIC PROGRAM BY GRAHAM FLETCHER (ELORET AND NASA ADVANCED
        SUPERCOMPUTING DIVISION, AMES RESEARCH CENTER).
     S,P,D,F,G,L SHELL GENERAL RYS QUADRATURE PROGRAMMED BY
        MICHEL DUPUIS (PACIFIC NORTHWEST NATIONAL LABORATORY).

          --------------------
          2 ELECTRON INTEGRALS
          --------------------

 THE -PK- OPTION IS OFF, THE INTEGRALS ARE NOT IN SUPERMATRIX FORM.
 STORING   15000 INTEGRALS/RECORD ON DISK, USING 12 BYTES/INTEGRAL.
 TWO ELECTRON INTEGRAL EVALUATION REQUIRES   89366 WORDS OF MEMORY.
 II,JST,KST,LST =  1  1  1  1 NREC =         1 INTLOC =    1
 II,JST,KST,LST =  2  1  1  1 NREC =         1 INTLOC =    2
 II,JST,KST,LST =  3  1  1  1 NREC =         1 INTLOC =   34
 II,JST,KST,LST =  4  1  1  1 NREC =         1 INTLOC =   34
 TOTAL NUMBER OF NONZERO TWO-ELECTRON INTEGRALS =                 141
          1 INTEGRAL RECORDS WERE STORED ON DISK FILE  8.
  ...... END OF TWO-ELECTRON INTEGRALS .....
 STEP CPU TIME =     0.54 TOTAL CPU TIME =        0.6 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.7 SECONDS, CPU UTILIZATION IS  90.10%

          ---------------------------
                  UHF SCF CALCULATION
          ---------------------------

     NUCLEAR ENERGY =         0.0000000000
     MAXIT = 50     NPUNCH=  2     MULT=  3
     EXTRAP=T  DAMP=F  SHIFT=F  RSTRCT=F  DIIS=F  SOSCF=F
     DENSITY MATRIX CONV=  1.00E-05
     MEMORY REQUIRED FOR UHF/ROHF STEP=     30602 WORDS.

 ITER EX      TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0      -36.0678919206   -36.0678919206   0.139651597   0.000000000
   2  1      -36.0820454714    -0.0141535508   0.025835501   0.000000000
   3  2      -36.0823386883    -0.0002932169   0.006676961   0.000000000
   4  3      -36.0823660376    -0.0000273493   0.003395481   0.000000000
   5  0      -36.0823771383    -0.0000111007   0.011538126   0.000000000
   6  1      -36.0823836000    -0.0000064617   0.005212211   0.000000000
   7  2      -36.0824036405    -0.0000200405   0.001453424   0.000000000
   8  0      -36.0824061983    -0.0000025579   0.001766771   0.000000000
   9  0      -36.0824079199    -0.0000017216   0.002798996   0.000000000
  10  1      -36.0824023288     0.0000055911   0.002396987   0.000000000
  11  2      -36.0824066749    -0.0000043461   0.001107946   0.000000000
  12  3      -36.0824079647    -0.0000012899   0.000992899   0.000000000
  13  0      -36.0824088577    -0.0000008930   0.006476728   0.000000000
  14  1      -36.0824112547    -0.0000023970   0.000975940   0.000000000
  15  2      -36.0824118465    -0.0000005918   0.000218518   0.000000000
  16  3      -36.0824118863    -0.0000000398   0.000088359   0.000000000
  17  4      -36.0824118947    -0.0000000084   0.000074646   0.000000000
  18  5      -36.0824118995    -0.0000000047   0.000064416   0.000000000
  19  6      -36.0824119030    -0.0000000035   0.000056186   0.000000000
  20  7      -36.0824119057    -0.0000000027   0.000049270   0.000000000
  21  8      -36.0824119078    -0.0000000021   0.000043315   0.000000000
  22  9      -36.0824119094    -0.0000000016   0.000038124   0.000000000
  23 10      -36.0824119107    -0.0000000013   0.000033573   0.000000000
  24 11      -36.0824119117    -0.0000000010   0.000029571   0.000000000
  25 12      -36.0824119124    -0.0000000008   0.000026049   0.000000000
  26 13      -36.0824119130    -0.0000000006   0.000022947   0.000000000
  27 14      -36.0824119135    -0.0000000005   0.000020215   0.000000000
  28 15      -36.0824119138    -0.0000000004   0.000017808   0.000000000
  29 16      -36.0824119141    -0.0000000003   0.000015688   0.000000000

          ----------------
          ENERGY CONVERGED
          ----------------

 FINAL UHF ENERGY IS      -36.0824119141 AFTER  29 ITERATIONS

          --------------------
          SPIN SZ   =    1.000
          S-SQUARED =    2.002
          --------------------

  ----- ALPHA SET ----- 

          ------------
          EIGENVECTORS
          ------------

                      1          2          3          4          5
                  -10.5789    -0.7059    -0.3203    -0.3152     0.2193
                     A1         A1         B1         B2         A1  
    1  C  1  S    0.983002  -0.322293   0.000000   0.000000   0.030305
    2  C  1  S    0.065686   1.009430   0.000000   0.000000  -0.164235
    3  C  1  X    0.000000   0.000000   1.000000   0.000000   0.000000
    4  C  1  Y    0.000000   0.000000   0.000000   0.928560   0.000000
    5  C  1  Z    0.010132  -0.003841   0.000000   0.000000   0.901273
    6   B 2  S   -0.016592   0.026999   0.000000  -0.093633   0.144235
    7   B 3  S   -0.016592   0.026999   0.000000   0.093633   0.144235

                      6          7
                    1.1778     1.2305
                     B2         A1  
    1  C  1  S    0.000000  -0.175528
    2  C  1  S    0.000000   1.012050
    3  C  1  X    0.000000   0.000000
    4  C  1  Y    0.773797   0.000000
    5  C  1  Z    0.000000   0.735168
    6   B 2  S    0.949725  -0.966399
    7   B 3  S   -0.949725  -0.966399

  ----- BETA SET ----- 

          ------------
          EIGENVECTORS
          ------------

                      1          2          3          4          5
                  -10.5462    -0.4474     0.2913     0.3452     0.3890
                     A1         A1         A1         B2         B1  
    1  C  1  S    0.984933  -0.312378   0.022293   0.000000   0.000000
    2  C  1  S    0.058948   0.982767  -0.143481   0.000000   0.000000
    3  C  1  X    0.000000   0.000000   0.000000   0.000000   1.000000
    4  C  1  Y    0.000000   0.000000   0.000000   0.835710   0.000000
    5  C  1  Z    0.009262  -0.053692   0.893670   0.000000   0.000000
    6   B 2  S   -0.015392   0.052146   0.154227  -0.199779   0.000000
    7   B 3  S   -0.015392   0.052146   0.154227   0.199779   0.000000

                      6          7
                    1.2736     1.2935
                     B2         A1  
    1  C  1  S    0.000000  -0.183641
    2  C  1  S    0.000000   1.041437
    3  C  1  X    0.000000   0.000000
    4  C  1  Y    0.873255   0.000000
    5  C  1  Z    0.000000   0.742474
    6   B 2  S    0.933184  -0.963843
    7   B 3  S   -0.933184  -0.963843
 ...... END OF UHF CALCULATION ......
 STEP CPU TIME =     0.06 TOTAL CPU TIME =        0.7 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.7 SECONDS, CPU UTILIZATION IS  90.30%

     ----------------------------------------------------------------
     PROPERTY VALUES FOR THE UHF   SELF-CONSISTENT FIELD WAVEFUNCTION
     ----------------------------------------------------------------

          -----------------
          ENERGY COMPONENTS
          -----------------

         WAVEFUNCTION NORMALIZATION =       1.0000000000

                ONE ELECTRON ENERGY =     -49.2508784572
                TWO ELECTRON ENERGY =      13.1684665431
           NUCLEAR REPULSION ENERGY =       0.0000000000
                                      ------------------
                       TOTAL ENERGY =     -36.0824119141

 ELECTRON-ELECTRON POTENTIAL ENERGY =      13.1684665431
  NUCLEUS-ELECTRON POTENTIAL ENERGY =     -85.5057883974
   NUCLEUS-NUCLEUS POTENTIAL ENERGY =       0.0000000000
                                      ------------------
             TOTAL POTENTIAL ENERGY =     -72.3373218543
               TOTAL KINETIC ENERGY =      36.2549099402
                 VIRIAL RATIO (V/T) =       1.9952420782

  ...... PI ENERGY ANALYSIS ......

 ENERGY ANALYSIS:
            FOCK ENERGY=    -22.9139448433
          BARE H ENERGY=    -49.2508784572
     ELECTRONIC ENERGY =    -36.0824116503
         KINETIC ENERGY=     36.2549099402
          N-N REPULSION=      0.0000000000
           TOTAL ENERGY=    -36.0824116503
        SIGMA PART(1+2)=    -34.1266871968
               (K,V1,2)=     34.8234226421    -80.4831561159     11.5330462769
           PI PART(1+2)=     -1.9557244534
               (K,V1,2)=      1.4314872981     -5.0226322815      1.6354205300
  SIGMA SKELETON, ERROR=    -34.1266871968      0.0000000000
             MIXED PART= 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00
 ...... END OF PI ENERGY ANALYSIS ......

          ---------------------------------------
          MULLIKEN AND LOWDIN POPULATION ANALYSES
          ---------------------------------------

     MULLIKEN ATOMIC POPULATION IN EACH MOLECULAR ORBITAL
        ALPHA ORBITALS

                      1          2          3          4

                  1.000000   1.000000   1.000000   1.000000

    1             1.002463   0.972687   1.000000   0.924080
    2            -0.001231   0.013657   0.000000   0.037960
    3            -0.001231   0.013657   0.000000   0.037960

     MULLIKEN ATOMIC POPULATION IN EACH MOLECULAR ORBITAL
         BETA ORBITALS

                      1          2

                  1.000000   1.000000

    1             1.002223   0.946984
    2            -0.001111   0.026508
    3            -0.001111   0.026508

     ATOMIC SPIN POPULATION (ALPHA MINUS BETA)
       ATOM         MULL.POP.                    LOW.POP.
    1 CARBON        1.950023                     1.874960
    2 HYDROGEN      0.024989                     0.062520
    3 HYDROGEN      0.024989                     0.062520


          ********* ALL ELECTRONS ********

               ----- POPULATIONS IN EACH AO -----
                             MULLIKEN      LOWDIN
              1  C  1  S      1.99343     1.99290
              2  C  1  S      1.92979     1.66940
              3  C  1  X      1.00000     1.00000
              4  C  1  Y      0.92408     0.86271
              5  C  1  Z      0.00113     0.00768
              6   B 2  S      0.07578     0.23366
              7   B 3  S      0.07578     0.23366

          ----- MULLIKEN ATOMIC OVERLAP POPULATIONS -----
          (OFF-DIAGONAL ELEMENTS NEED TO BE MULTIPLIED BY 2)

             1           2           3

    1    5.7204236
    2    0.0640060   0.0127276
    3    0.0640060  -0.0009513   0.0127276

          TOTAL MULLIKEN AND LOWDIN ATOMIC POPULATIONS
       ATOM         MULL.POP.    CHARGE          LOW.POP.     CHARGE
    1 CARBON        5.848436    0.151564         5.532688    0.467312
    2 HYDROGEN      0.075782   -0.075782         0.233656   -0.233656
    3 HYDROGEN      0.075782   -0.075782         0.233656   -0.233656

          -------------------------------
          BOND ORDER AND VALENCE ANALYSIS     BOND ORDER THRESHOLD=0.050
          -------------------------------

                   BOND                       BOND                       BOND
  ATOM PAIR DIST  ORDER      ATOM PAIR DIST  ORDER      ATOM PAIR DIST  ORDER
    1   2  1.090  0.143        1   3  1.090  0.143

                       TOTAL       BONDED        FREE
      ATOM            VALENCE     VALENCE     VALENCE
    1 CARBON            2.143       0.285       1.858
    2 HYDROGEN          0.146       0.145       0.001
    3 HYDROGEN          0.146       0.145       0.001

          -----------------------------------------
          ATOMIC SPIN DENSITY AT THE NUCLEUS (A.U.)
          -----------------------------------------
                            SPIN DENS    ALPHA DENS     BETA DENS
    1  CARBON       6.0     0.0420896      28.79679      28.75470

          ---------------------
          ELECTROSTATIC MOMENTS
          ---------------------

 POINT   1           X           Y           Z (BOHR)    CHARGE
                 0.000000    0.000000    0.000000        0.00 (A.U.)
         DX          DY          DZ         /D/  (DEBYE)
     0.000000    0.000000   -0.312237    0.312237
 ...... END OF PROPERTY EVALUATION ......
 STEP CPU TIME =     0.04 TOTAL CPU TIME =        0.7 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.8 SECONDS, CPU UTILIZATION IS  88.09%

 BEGINNING ONE ELECTRON GRADIENT...
 ..... END OF 1-ELECTRON GRADIENT ......
 STEP CPU TIME =     0.00 TOTAL CPU TIME =        0.7 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.8 SECONDS, CPU UTILIZATION IS  87.76%

          ----------------------
          GRADIENT OF THE ENERGY
          ----------------------
 THE COARSE/FINE SCHWARZ SCREENINGS SKIPPED          0/         0 BLOCKS.
 THE NUMBER OF GRADIENT INTEGRAL BLOCKS COMPUTED WAS        27

 ...... END OF 2-ELECTRON GRADIENT ......
 STEP CPU TIME =     0.01 TOTAL CPU TIME =        0.7 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.8 SECONDS, CPU UTILIZATION IS  88.78%

                         ----------------------
                         GRADIENT OF THE ENERGY
                         ----------------------

      ATOM                 E'X               E'Y               E'Z 
    1 CARBON           0.000000000       0.000000000      -0.009118612
    2 HYDROGEN         0.000000000       0.000440414       0.004559306
    3 HYDROGEN         0.000000000      -0.000440414       0.004559306

                   MAXIMUM GRADIENT =    0.009118612
                       RMS GRADIENT =    0.003728443
  $VIB   
          IVIB=   0 IATOM=   0 ICOORD=   0 E=      -36.0824119141
  0.000000000E+00 0.000000000E+00-9.118612170E-03 0.000000000E+00 4.404140342E-04
  4.559306085E-03 0.000000000E+00-4.404140342E-04 4.559306085E-03
  4.327447624E-17 6.721539703E-18-3.122365018E-01

..... END OF SINGLE POINT GRADIENT .....
 STEP CPU TIME =     0.00 TOTAL CPU TIME =        0.7 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.8 SECONDS, CPU UTILIZATION IS  88.56%

          -------------------------
          BOYS ORBITAL LOCALIZATION
          -------------------------
          S.F.BOYS, IN "QUANTUM THEORY OF ATOMS, MOLECULES, AND SOLIDS"
          P.O.LOWDIN, ED. ACADEMIC PRESS, NY, 1966 PP253-266.

          ***** ALPHA ORBITAL LOCALIZATION *****

          THIS LOCALIZATION REQUIRES       227 WORDS OF MEMORY.
          THIS LOCALIZATION HAS   4 ORBITALS, OF WHICH   1 ARE FROZEN.

          THE INITIAL LOCALIZATION SUM IS      0.074559 DEBYE**2
          BOYS ITERATION  10 ORBITAL CHANGE=    2.7004530105E-05
          BOYS ITERATION  20 ORBITAL CHANGE=    2.4195561326E-05
          BOYS ITERATION  30 ORBITAL CHANGE=    2.6094002046E-05
          BOYS ITERATION  40 ORBITAL CHANGE=    2.8290620082E-05
          BOYS ITERATION  50 ORBITAL CHANGE=    2.4482961993E-05
          BOYS ITERATION  60 ORBITAL CHANGE=    2.4780049098E-05
          BOYS ITERATION  70 ORBITAL CHANGE=    2.3177344181E-05
          BOYS ITERATION  80 ORBITAL CHANGE=    2.2623050953E-05
          BOYS ITERATION  90 ORBITAL CHANGE=    2.2964882512E-05
          BOYS ITERATION 100 ORBITAL CHANGE=    2.7363712224E-05
          BOYS ITERATION 110 ORBITAL CHANGE=    2.0949819378E-05
          BOYS ITERATION 120 ORBITAL CHANGE=    2.1179246184E-05
          BOYS ITERATION 130 ORBITAL CHANGE=    2.3131725939E-05
          BOYS ITERATION 140 ORBITAL CHANGE=    2.4198645998E-05
          BOYS ITERATION 150 ORBITAL CHANGE=    2.3191857846E-05
          BOYS ITERATION 160 ORBITAL CHANGE=    2.2492122400E-05
          BOYS ITERATION 170 ORBITAL CHANGE=    1.9833402616E-05
          BOYS ITERATION 180 ORBITAL CHANGE=    2.4050446594E-05
          BOYS ITERATION 190 ORBITAL CHANGE=    2.0984152180E-05
          BOYS ITERATION 200 ORBITAL CHANGE=    2.2112055771E-05
          BOYS ITERATION 210 ORBITAL CHANGE=    1.9186911238E-05
          BOYS ITERATION 220 ORBITAL CHANGE=    2.2015211035E-05
          BOYS ITERATION 230 ORBITAL CHANGE=    2.1301949793E-05
          BOYS ITERATION 240 ORBITAL CHANGE=    2.2749882921E-05
          BOYS ITERATION 250 ORBITAL CHANGE=    2.0482854481E-05

     **** LOCALIZATION   1 HAS BEEN UNSUCESSFUL! ****
     RESTARTING WITH NEW RANDOM NUMBER AND ROTATION SEQUENCE

          THE INITIAL LOCALIZATION SUM IS      0.074559 DEBYE**2
          BOYS ITERATION  10 ORBITAL CHANGE=    1.1801219624E-05
          BOYS ITERATION  20 ORBITAL CHANGE=    1.2407516833E-05
          BOYS ITERATION  30 ORBITAL CHANGE=    1.4141440615E-05
          BOYS ITERATION  40 ORBITAL CHANGE=    1.2887074251E-05
          BOYS ITERATION  50 ORBITAL CHANGE=    1.1172676141E-05
          BOYS ITERATION  60 ORBITAL CHANGE=    1.2239217008E-05
          BOYS ITERATION  70 ORBITAL CHANGE=    1.1983901682E-05
          BOYS ITERATION  80 ORBITAL CHANGE=    1.0972531381E-05
          BOYS ITERATION  90 ORBITAL CHANGE=    1.0545792585E-05
          BOYS ITERATION 100 ORBITAL CHANGE=    1.1909327215E-05
          BOYS ITERATION 110 ORBITAL CHANGE=    1.0877472192E-05
          BOYS ITERATION 120 ORBITAL CHANGE=    1.1287975031E-05
          BOYS ITERATION 130 ORBITAL CHANGE=    1.2449890474E-05
          BOYS ITERATION 140 ORBITAL CHANGE=    1.0078476501E-05
          BOYS ITERATION 150 ORBITAL CHANGE=    9.1170838717E-06
          BOYS ITERATION 160 ORBITAL CHANGE=    1.0973334745E-05
          BOYS ITERATION 170 ORBITAL CHANGE=    9.4538072483E-06
          BOYS ITERATION 180 ORBITAL CHANGE=    1.1126903250E-05
          BOYS ITERATION 190 ORBITAL CHANGE=    1.0431440704E-05
          BOYS ITERATION 200 ORBITAL CHANGE=    9.1992359532E-06
          BOYS ITERATION 210 ORBITAL CHANGE=    1.1161027660E-05
          BOYS ITERATION 220 ORBITAL CHANGE=    8.2967220022E-06
          BOYS ITERATION 230 ORBITAL CHANGE=    1.0598765226E-05
          BOYS ITERATION 240 ORBITAL CHANGE=    9.3084078544E-06
          BOYS ITERATION 250 ORBITAL CHANGE=    8.6188948304E-06

     **** LOCALIZATION   2 HAS BEEN UNSUCESSFUL! ****
     RESTARTING WITH NEW RANDOM NUMBER AND ROTATION SEQUENCE

          THE INITIAL LOCALIZATION SUM IS      0.074559 DEBYE**2
          BOYS ITERATION  10 ORBITAL CHANGE=    1.2281429722E-05
          BOYS ITERATION  20 ORBITAL CHANGE=    1.5301639099E-05
          BOYS ITERATION  30 ORBITAL CHANGE=    1.2580077201E-05
          BOYS ITERATION  40 ORBITAL CHANGE=    1.3276411916E-05
          BOYS ITERATION  50 ORBITAL CHANGE=    1.1184424418E-05
          BOYS ITERATION  60 ORBITAL CHANGE=    1.3860434403E-05
          BOYS ITERATION  70 ORBITAL CHANGE=    1.2755769436E-05
          BOYS ITERATION  80 ORBITAL CHANGE=    1.1112907704E-05
          BOYS ITERATION  90 ORBITAL CHANGE=    1.2853477136E-05
          BOYS ITERATION 100 ORBITAL CHANGE=    1.2874278589E-05
          BOYS ITERATION 110 ORBITAL CHANGE=    1.2431516921E-05
          BOYS ITERATION 120 ORBITAL CHANGE=    1.1627503582E-05
          BOYS ITERATION 130 ORBITAL CHANGE=    1.2140084355E-05
          BOYS ITERATION 140 ORBITAL CHANGE=    1.1967180278E-05
          BOYS ITERATION 150 ORBITAL CHANGE=    1.1611979126E-05
          BOYS ITERATION 160 ORBITAL CHANGE=    1.1459282317E-05
          BOYS ITERATION 170 ORBITAL CHANGE=    9.6303392949E-06
          BOYS ITERATION 180 ORBITAL CHANGE=    1.0568436100E-05
          BOYS ITERATION 190 ORBITAL CHANGE=    1.1420839381E-05
          BOYS ITERATION 200 ORBITAL CHANGE=    1.1000476624E-05
          BOYS ITERATION 210 ORBITAL CHANGE=    1.0230189706E-05
          BOYS ITERATION 220 ORBITAL CHANGE=    1.1250391403E-05
          BOYS ITERATION 230 ORBITAL CHANGE=    9.8474683742E-06
          BOYS ITERATION 240 ORBITAL CHANGE=    9.7424228204E-06
          BOYS ITERATION 250 ORBITAL CHANGE=    9.9911968836E-06

     **** LOCALIZATION   3 HAS BEEN UNSUCESSFUL! ****
     RESTARTING WITH NEW RANDOM NUMBER AND ROTATION SEQUENCE

          THE INITIAL LOCALIZATION SUM IS      0.074559 DEBYE**2
          BOYS ITERATION  10 ORBITAL CHANGE=    6.6525682795E-05
          BOYS ITERATION  20 ORBITAL CHANGE=    8.3898100338E-05
          BOYS ITERATION  30 ORBITAL CHANGE=    7.3266709359E-05
          BOYS ITERATION  40 ORBITAL CHANGE=    7.5151109237E-05
          BOYS ITERATION  50 ORBITAL CHANGE=    8.5412594226E-05
          BOYS ITERATION  60 ORBITAL CHANGE=    7.4169966672E-05
          BOYS ITERATION  70 ORBITAL CHANGE=    8.1252705830E-05
          BOYS ITERATION  80 ORBITAL CHANGE=    8.6942468604E-05
          BOYS ITERATION  90 ORBITAL CHANGE=    7.7613656753E-05
          BOYS ITERATION 100 ORBITAL CHANGE=    8.5664852125E-05
          BOYS ITERATION 110 ORBITAL CHANGE=    8.5060287312E-05
          BOYS ITERATION 120 ORBITAL CHANGE=    7.4695091649E-05
          BOYS ITERATION 130 ORBITAL CHANGE=    9.1415093094E-05
          BOYS ITERATION 140 ORBITAL CHANGE=    8.5754914831E-05
          BOYS ITERATION 150 ORBITAL CHANGE=    7.6188208747E-05
          BOYS ITERATION 160 ORBITAL CHANGE=    8.2904973139E-05
          BOYS ITERATION 170 ORBITAL CHANGE=    8.7902056532E-05
          BOYS ITERATION 180 ORBITAL CHANGE=    8.1305002020E-05
          BOYS ITERATION 190 ORBITAL CHANGE=    9.5220622907E-05
          BOYS ITERATION 200 ORBITAL CHANGE=    8.3707521102E-05
          BOYS ITERATION 210 ORBITAL CHANGE=    8.5619640851E-05
          BOYS ITERATION 220 ORBITAL CHANGE=    9.0170908006E-05
          BOYS ITERATION 230 ORBITAL CHANGE=    9.7122065521E-05
          BOYS ITERATION 240 ORBITAL CHANGE=    9.3388677300E-05
          BOYS ITERATION 250 ORBITAL CHANGE=    7.9730755722E-05

     **** LOCALIZATION   4 HAS BEEN UNSUCESSFUL! ****
     RESTARTING WITH NEW RANDOM NUMBER AND ROTATION SEQUENCE

          THE INITIAL LOCALIZATION SUM IS      0.074559 DEBYE**2
          BOYS ITERATION  10 ORBITAL CHANGE=    9.3657410771E-05
          BOYS ITERATION  20 ORBITAL CHANGE=    7.9688816054E-05
          BOYS ITERATION  30 ORBITAL CHANGE=    8.3278063460E-05
          BOYS ITERATION  40 ORBITAL CHANGE=    8.4176809385E-05
          BOYS ITERATION  50 ORBITAL CHANGE=    8.1574510760E-05
          BOYS ITERATION  60 ORBITAL CHANGE=    9.9901080428E-05
          BOYS ITERATION  70 ORBITAL CHANGE=    8.5996766970E-05
          BOYS ITERATION  80 ORBITAL CHANGE=    9.0733202280E-05
          BOYS ITERATION  90 ORBITAL CHANGE=    9.3152195705E-05
          BOYS ITERATION 100 ORBITAL CHANGE=    8.9732562041E-05
          BOYS ITERATION 110 ORBITAL CHANGE=    1.0202722564E-04
          BOYS ITERATION 120 ORBITAL CHANGE=    9.1639977851E-05
          BOYS ITERATION 130 ORBITAL CHANGE=    9.9160259695E-05
          BOYS ITERATION 140 ORBITAL CHANGE=    1.0268290337E-04
          BOYS ITERATION 150 ORBITAL CHANGE=    9.8722656533E-05
          BOYS ITERATION 160 ORBITAL CHANGE=    9.6851808024E-05
          BOYS ITERATION 170 ORBITAL CHANGE=    8.2680034483E-05
          BOYS ITERATION 180 ORBITAL CHANGE=    8.9499197083E-05
          BOYS ITERATION 190 ORBITAL CHANGE=    8.3627690328E-05
          BOYS ITERATION 200 ORBITAL CHANGE=    8.6622463162E-05
          BOYS ITERATION 210 ORBITAL CHANGE=    9.5548494125E-05
          BOYS ITERATION 220 ORBITAL CHANGE=    1.0854575196E-04
          BOYS ITERATION 230 ORBITAL CHANGE=    9.5006373247E-05
          BOYS ITERATION 240 ORBITAL CHANGE=    9.2889995295E-05
          BOYS ITERATION 250 ORBITAL CHANGE=    8.4760959016E-05

     **** LOCALIZATION   5 HAS BEEN UNSUCESSFUL! ****
     RESTARTING WITH NEW RANDOM NUMBER AND ROTATION SEQUENCE

          THE INITIAL LOCALIZATION SUM IS      0.074559 DEBYE**2
          BOYS ITERATION  10 ORBITAL CHANGE=    2.2948104608E-05
          BOYS ITERATION  20 ORBITAL CHANGE=    2.3456086788E-05
          BOYS ITERATION  30 ORBITAL CHANGE=    2.6795503746E-05
          BOYS ITERATION  40 ORBITAL CHANGE=    2.7326602324E-05
          BOYS ITERATION  50 ORBITAL CHANGE=    2.5169690209E-05
          BOYS ITERATION  60 ORBITAL CHANGE=    2.7092799395E-05
          BOYS ITERATION  70 ORBITAL CHANGE=    2.3862679536E-05
          BOYS ITERATION  80 ORBITAL CHANGE=    2.8993136726E-05
          BOYS ITERATION  90 ORBITAL CHANGE=    2.8212328967E-05
          BOYS ITERATION 100 ORBITAL CHANGE=    2.5639223694E-05
          BOYS ITERATION 110 ORBITAL CHANGE=    3.0864554855E-05
          BOYS ITERATION 120 ORBITAL CHANGE=    2.9946556945E-05
          BOYS ITERATION 130 ORBITAL CHANGE=    2.8122799905E-05
          BOYS ITERATION 140 ORBITAL CHANGE=    2.8117784380E-05
          BOYS ITERATION 150 ORBITAL CHANGE=    3.0130223710E-05
          BOYS ITERATION 160 ORBITAL CHANGE=    3.4964686442E-05
          BOYS ITERATION 170 ORBITAL CHANGE=    2.8469499980E-05
          BOYS ITERATION 180 ORBITAL CHANGE=    3.2304454418E-05
          BOYS ITERATION 190 ORBITAL CHANGE=    3.3100548538E-05
          BOYS ITERATION 200 ORBITAL CHANGE=    3.2579065476E-05
          BOYS ITERATION 210 ORBITAL CHANGE=    3.1261845658E-05
          BOYS ITERATION 220 ORBITAL CHANGE=    3.4977869096E-05
          BOYS ITERATION 230 ORBITAL CHANGE=    3.2119269891E-05
          BOYS ITERATION 240 ORBITAL CHANGE=    3.8546706683E-05
          BOYS ITERATION 250 ORBITAL CHANGE=    3.2787768723E-05

 LOCALIZATION FAILED --- LOCALIZATION ABORTED

          ****** BETA ORBITAL LOCALIZATION *****

          THIS LOCALIZATION REQUIRES       180 WORDS OF MEMORY.
          THIS LOCALIZATION HAS   2 ORBITALS, OF WHICH   1 ARE FROZEN.

          THE INITIAL LOCALIZATION SUM IS      0.001308 DEBYE**2
          LOCALIZATION CONVERGED IN   1 ITERATIONS
            THE FINAL LOCALIZATION SUM IS      0.001308 DEBYE**2

          THE BOYS LOCALIZED ORBITALS ARE

                      1          2

    1  C  1  S   -0.984933   0.312378
    2  C  1  S   -0.058948  -0.982767
    3  C  1  X    0.000000   0.000000
    4  C  1  Y    0.000000   0.000000
    5  C  1  Z   -0.009262   0.053692
    6   B 2  S    0.015392  -0.052146
    7   B 3  S    0.015392  -0.052146
 ...... END OF ORBITAL LOCALIZATION ......
 STEP CPU TIME =     0.02 TOTAL CPU TIME =        0.7 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.8 SECONDS, CPU UTILIZATION IS  88.41%
 440000 WORDS OF DYNAMIC MEMORY USED
 EXECUTION OF GAMESS TERMINATED NORMALLY Thu Sep 16 23:04:02 2010
 DDI: 920 bytes (0.0 MB / 0 MWords) used by master data server.

 ----------------------------------------
 CPU timing information for all processes
 ========================================
 0: 0.680000 + 0.100000 = 0.780000
 1: 0.030000 + 0.050000 = 0.080000
 ----------------------------------------
 ddikick.x: exited gracefully.
----- accounting info -----
