H2O-STO3G.gamout

----- GAMESS execution script 'rungms' -----
This job is running on host crcfe01.crc.nd.edu
under operating system Linux at Sat Sep 14 09:30:43 EDT 2019
Available scratch disk space (Kbyte units) at beginning of the job is
Filesystem      1K-blocks  Used  Available Use% Mounted on
AFS            2147483647     0 2147483647   0% /afs
GAMESS temporary binary files will be written to /afs/crc.nd.edu/user/w/wschnei1
GAMESS supplementary output files will be written to /afs/crc.nd.edu/user/w/wschnei1/scr
Copying input file H2O-3.inp to your run's scratch directory...
reading your own /afs/crc.nd.edu/user/w/wschnei1/.gmsrc

 Distributed Data Interface kickoff program.
 Initiating 1 compute processes on 1 nodes to run the following command:
 /afs/crc.nd.edu/x86_64_linux/g/gamess/nov-2017/gamess/gamess.00.x H2O-3 

          ******************************************************
          *         GAMESS VERSION = 11 NOV 2017 (R3)         *
          *             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)        *
          **************** 64 BIT INTEL 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,
     ANDREY ASADCHEV, ROB BELL, PRADIPTA BANDYOPADHYAY, JONATHAN BENTZ,
     BRETT BODE, KURT BRORSEN, CALEB CARLIN, GALINA CHABAN, WEI CHEN,
     CHEOL HO CHOI, PAUL DAY, ALBERT DEFUSCO, NUWAN DESILVA, TIM DUDLEY,
     DMITRI FEDOROV, ALEX FINDLATER, GRAHAM FLETCHER, MARK FREITAG,
     KURT GLAESEMANN, ANASTASIA GUININA,
     DAN KEMP, GRANT MERRILL, NORIYUKI MINEZAWA, JONATHAN MULLIN,
     TAKESHI NAGATA, SEAN NEDD, HEATHER NETZLOFF, BOSILJKA NJEGIC, RYAN OLSON,
     MIKE PAK, BUU PHAM,
     SPENCER PRUITT, LUKE ROSKOP, JIM SHOEMAKER, LYUDMILA SLIPCHENKO,
     TONY SMITH, SAROM SOK LEANG, JIE SONG, TETSUYA TAKETSUGU, SIMON WEBB,
     PENG XU, SOOHAENG YOO, FEDERICO ZAHARIEV

  ADDITIONAL CODE HAS BEEN PROVIDED BY COLLABORATORS IN OTHER GROUPS:
     IOWA STATE UNIVERSITY:
          JOE IVANIC, AARON WEST, LAIMUTIS BYTAUTAS, KLAUS RUEDENBERG
     UNIVERSITY OF TOKYO: KIMIHIKO HIRAO, TAKAHITO NAKAJIMA,
          TAKAO TSUNEDA, MUNEAKI KAMIYA, SUSUMU YANAGISAWA,
          KIYOSHI YAGI, MAHITO CHIBA, SEIKEN TOKURA, NAOAKI KAWAKAMI
     UNIVERSITY OF AARHUS: 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: TOBY ZENG, MARIUSZ KLOBUKOWSKI
     UNIVERSITY OF NEW ENGLAND: MARK SPACKMAN
     MIE UNIVERSITY: HIROAKI UMEDA
     NAT. INST. OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY: KAZUO KITAURA
     MICHIGAN STATE UNIVERSITY:
          KAROL KOWALSKI, MARTA WLOCH, JEFFREY GOUR, JESSE LUTZ,
          WEI LI, 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, MICHIO KATOUDA, AND SHIGERU NAGASE
     UNIVERSITY OF NOTRE DAME: ANNA POMOGAEVA, DAN CHIPMAN
     KYUSHU UNIVERSITY:
          HARUYUKI NAKANO,
          FENG LONG GU, JACEK KORCHOWIEC, MARCIN MAKOWSKI, AND YURIKO AOKI,
          HIROTOSHI MORI AND EISAKU MIYOSHI
     PENNSYLVANIA STATE UNIVERSITY:
          TZVETELIN IORDANOV, CHET SWALINA, JONATHAN SKONE,
          SHARON HAMMES-SCHIFFER
     WASEDA UNIVERSITY:
          MASATO KOBAYASHI, TOMOKO AKAMA, TSUGUKI TOUMA,
          TAKESHI YOSHIKAWA, YASUHIRO IKABATA, JUNJI SEINO,
          YUYA NAKAJIMA, HIROMI NAKAI
     NANJING UNIVERSITY: SHUHUA LI
     UNIVERSITY OF NEBRASKA:
          PEIFENG SU, DEJUN SI, NANDUN THELLAMUREGE, YALI WANG, HUI LI
     UNIVERSITY OF ZURICH: ROBERTO PEVERATI, KIM BALDRIDGE
     N. COPERNICUS UNIVERSITY AND JACKSON STATE UNIVERSITY:
          MARIA BARYSZ
     UNIVERSITY OF COPENHAGEN: Jimmy Kromann, CASPER STEINMANN
     TOKYO INSTITUTE OF TECHNOLOGY: HIROYA NAKATA
     NAGOYA UNIVERSITY: YOSHIO NISHIMOTO, STEPHAN IRLE
     MOSCOW STATE UNIVERSITY: VLADIMIR MIRONOV

 EXECUTION OF GAMESS BEGUN Sat Sep 14 09:30:43 2019

            ECHO OF THE FIRST FEW INPUT CARDS -
 INPUT CARD>!   File created by the GAMESS Input Deck Generator Plugin for Avogadro         
 INPUT CARD> $BASIS GBASIS=STO NGAUSS=3 $END                                                
 INPUT CARD> $CONTRL SCFTYP=RHF RUNTYP=ENERGY $END                                          
 INPUT CARD>                                                                                
 INPUT CARD> $DATA                                                                          
 INPUT CARD>Title                                                                           
 INPUT CARD>C1                                                                              
 INPUT CARD>O     8.0    -0.89600     3.13196     0.00000                                   
 INPUT CARD>H     1.0     0.07400     3.13196     0.00000                                   
 INPUT CARD>H     1.0    -1.21933     3.71670     0.70316                                   
 INPUT CARD> $END                                                                           
    1000000 WORDS OF MEMORY AVAILABLE

     BASIS OPTIONS
     -------------
     GBASIS=STO          IGAUSS=       3      POLAR=NONE    
     NDFUNC=       0     NFFUNC=       0     DIFFSP=       F
     NPFUNC=       0      DIFFS=       F     BASNAM=        


     RUN TITLE
     ---------
 Title                                                                           

 THE POINT GROUP OF THE MOLECULE IS C1      
 THE ORDER OF THE PRINCIPAL AXIS IS     0

 ATOM      ATOMIC                      COORDINATES (BOHR)
           CHARGE         X                   Y                   Z
 O           8.0    -1.6931944850        5.9185462045        0.0000000000
 H           1.0     0.1398397231        5.9185462045        0.0000000000
 H           1.0    -2.3041995886        7.0235445786        1.3287797255

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

                1 O          2 H          3 H     

   1 O       0.0000000    0.9700000 *  0.9699985 *
   2 H       0.9700000 *  0.0000000    1.5840004 *
   3 H       0.9699985 *  1.5840004 *  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)

 O         

      1   S       1           130.7093214    0.154328967295
      1   S       2            23.8088661    0.535328142282
      1   S       3             6.4436083    0.444634542185

      2   L       4             5.0331513   -0.099967229187    0.155916274999
      2   L       5             1.1695961    0.399512826089    0.607683718598
      2   L       6             0.3803890    0.700115468880    0.391957393099

 H         

      3   S       7             3.4252509    0.154328967295
      3   S       8             0.6239137    0.535328142282
      3   S       9             0.1688554    0.444634542185

 H         

      4   S      10             3.4252509    0.154328967295
      4   S      11             0.6239137    0.535328142282
      4   S      12             0.1688554    0.444634542185

 TOTAL NUMBER OF BASIS SET SHELLS             =    4
 NUMBER OF CARTESIAN GAUSSIAN BASIS FUNCTIONS =    7
 NUMBER OF ELECTRONS                          =   10
 CHARGE OF MOLECULE                           =    0
 SPIN MULTIPLICITY                            =    1
 NUMBER OF OCCUPIED ORBITALS (ALPHA)          =    5
 NUMBER OF OCCUPIED ORBITALS (BETA )          =    5
 TOTAL NUMBER OF ATOMS                        =    3
 THE NUCLEAR REPULSION ENERGY IS        9.0627799797

     $CONTRL OPTIONS
     ---------------
 SCFTYP=RHF          RUNTYP=ENERGY       EXETYP=RUN     
 MPLEVL=       0     CITYP =NONE         CCTYP =NONE         VBTYP =NONE    
 DFTTYP=NONE         TDDFT =NONE    
 MULT  =       1     ICHARG=       0     NZVAR =       0     COORD =UNIQUE  
 PP    =NONE         RELWFN=NONE         LOCAL =NONE         NUMGRD=       F
 ISPHER=      -1     NOSYM =       0     MAXIT =      30     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=     1000000 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=     1000000 WORDS.
 TIMLIM=      525600.00 MINUTES, OR     365.0 DAYS.
 PARALL= F  BALTYP=  DLB     KDIAG=    0  COREFL= F
 MXSEQ2=     300 MXSEQ3=     150  mem10=         0

          ----------------
          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     

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

     ------------------------------------------
     THE POINT GROUP IS C1 , NAXIS= 0, ORDER= 1
     ------------------------------------------

     DIMENSIONS OF THE SYMMETRY SUBSPACES ARE
 A   =    7

 ..... DONE SETTING UP THE RUN .....
 STEP CPU TIME =     0.01 TOTAL CPU TIME =          0.0 (      0.0 MIN)
 TOTAL WALL CLOCK TIME=          0.0 SECONDS, CPU UTILIZATION IS    33.33%

          ********************
          1 ELECTRON INTEGRALS
          ********************
 ...... END OF ONE-ELECTRON INTEGRALS ......
 STEP CPU TIME =     0.00 TOTAL CPU TIME =          0.0 (      0.0 MIN)
 TOTAL WALL CLOCK TIME=          0.0 SECONDS, CPU UTILIZATION IS    25.00%

          -------------
          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      2620 WORDS.

 SYMMETRIES FOR INITIAL GUESS ORBITALS FOLLOW.   BOTH SET(S).
     5 ORBITALS ARE OCCUPIED (    1 CORE ORBITALS).
     2=A        3=A        4=A        5=A        6=A        7=A   
 ...... END OF INITIAL ORBITAL SELECTION ......
 STEP CPU TIME =     0.00 TOTAL CPU TIME =          0.0 (      0.0 MIN)
 TOTAL WALL CLOCK TIME=          0.0 SECONDS, CPU UTILIZATION IS    25.00%

                    ----------------------
                    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 =   84
 TOTAL NUMBER OF NONZERO TWO-ELECTRON INTEGRALS =                 258
          1 INTEGRAL RECORDS WERE STORED ON DISK FILE  8.
  ...... END OF TWO-ELECTRON INTEGRALS .....
 STEP CPU TIME =     0.01 TOTAL CPU TIME =          0.0 (      0.0 MIN)
 TOTAL WALL CLOCK TIME=          0.1 SECONDS, CPU UTILIZATION IS    40.00%

          --------------------------
                 RHF SCF CALCULATION
          --------------------------

     NUCLEAR ENERGY =         9.0627799797
     MAXIT =   30     NPUNCH=    2
     EXTRAP=T  DAMP=F  SHIFT=F  RSTRCT=F  DIIS=F  DEM=F  SOSCF=F
     DENSITY MATRIX CONV=  1.00E-05
     MEMORY REQUIRED FOR RHF ITERS=     30441 WORDS.

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0      -74.8000689365   -74.8000689365   0.587435387   0.000000000
   2  1  0      -74.9476690215    -0.1476000851   0.180328226   0.000000000
   3  2  0      -74.9599800749    -0.0123110534   0.062052432   0.000000000
   4  3  0      -74.9613888234    -0.0014087484   0.021869334   0.000000000
   5  0  0      -74.9615972951    -0.0002084717   0.019999987   0.000000000
   6  1  0      -74.9616318042    -0.0000345091   0.003590643   0.000000000
   7  2  0      -74.9616398736    -0.0000080694   0.001472459   0.000000000
   8  3  0      -74.9616414174    -0.0000015438   0.000623881   0.000000000
   9  4  0      -74.9616417156    -0.0000002982   0.000268574   0.000000000
  10  5  0      -74.9616417734    -0.0000000578   0.000116773   0.000000000
  11  6  0      -74.9616417846    -0.0000000112   0.000051055   0.000000000
  12  7  0      -74.9616417868    -0.0000000022   0.000022393   0.000000000
  13  8  0      -74.9616417872    -0.0000000004   0.000009839   0.000000000
  14  9  0      -74.9616417873    -0.0000000001   0.000004328   0.000000000

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL RHF ENERGY IS      -74.9616417873 AFTER  14 ITERATIONS

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

                      1          2          3          4          5
                  -20.2357    -1.2559    -0.6186    -0.4393    -0.3863
                     A          A          A          A          A   
    1  O  1  S    0.994148  -0.233630  -0.000000  -0.099347   0.000000
    2  O  1  S    0.026356   0.839018   0.000001   0.517749   0.000000
    3  O  1  X    0.002345   0.069300   0.489295  -0.455775   0.000000
    4  O  1  Y    0.002121   0.062664  -0.221221  -0.412127   0.768881
    5  O  1  Z    0.002550   0.075355  -0.266022  -0.495590  -0.639392
    6  H  2  S   -0.005861   0.158805   0.443178  -0.277241   0.000000
    7  H  3  S   -0.005861   0.158806  -0.443178  -0.277240   0.000000

                      6          7
                    0.5830     0.7422
                     A          A   
    1  O  1  S   -0.132756   0.000001
    2  O  1  S    0.873454  -0.000006
    3  O  1  X    0.412235   0.814133
    4  O  1  Y    0.372752  -0.368089
    5  O  1  Z    0.448240  -0.442633
    6  H  2  S   -0.792874  -0.824245
    7  H  3  S   -0.792867   0.824254
 ...... END OF RHF CALCULATION ......
 STEP CPU TIME =     0.01 TOTAL CPU TIME =          0.0 (      0.0 MIN)
 TOTAL WALL CLOCK TIME=          0.1 SECONDS, CPU UTILIZATION IS    42.86%

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

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

         WAVEFUNCTION NORMALIZATION =       1.0000000000

                ONE ELECTRON ENERGY =    -122.1771328666
                TWO ELECTRON ENERGY =      38.1527110996
           NUCLEAR REPULSION ENERGY =       9.0627799797
                                      ------------------
                       TOTAL ENERGY =     -74.9616417873

 ELECTRON-ELECTRON POTENTIAL ENERGY =      38.1527110996
  NUCLEUS-ELECTRON POTENTIAL ENERGY =    -196.7388094369
   NUCLEUS-NUCLEUS POTENTIAL ENERGY =       9.0627799797
                                      ------------------
             TOTAL POTENTIAL ENERGY =    -149.5233183576
               TOTAL KINETIC ENERGY =      74.5616765703
                 VIRIAL RATIO (V/T) =       2.0053642197

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

     ATOMIC MULLIKEN POPULATION IN EACH MOLECULAR ORBITAL

                      1          2          3          4          5

                  2.000000   2.000000   2.000000   2.000000   2.000000

    1             2.001361   1.618239   1.055613   1.688096   2.000000
    2            -0.000681   0.190880   0.472194   0.155952   0.000000
    3            -0.000681   0.190881   0.472193   0.155951   0.000000

               ----- POPULATIONS IN EACH AO -----
                             MULLIKEN      LOWDIN
              1  O  1  S      1.99760     1.99588
              2  O  1  S      1.82117     1.67266
              3  O  1  X      1.20005     1.22261
              4  O  1  Y      1.73201     1.73921
              5  O  1  Z      1.61248     1.62289
              6  H  2  S      0.81835     0.87337
              7  H  3  S      0.81835     0.87337

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

             1           2           3

    1    7.8349566
    2    0.2641762   0.5970464
    3    0.2641763  -0.0428769   0.5970458

          TOTAL MULLIKEN AND LOWDIN ATOMIC POPULATIONS
       ATOM         MULL.POP.    CHARGE          LOW.POP.     CHARGE
    1 O             8.363309   -0.363309         8.253257   -0.253257
    2 H             0.818346    0.181654         0.873372    0.126628
    3 H             0.818345    0.181655         0.873371    0.126629

          -------------------------------
          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  0.970  0.951        1   3  0.970  0.951

                       TOTAL       BONDED        FREE
      ATOM            VALENCE     VALENCE     VALENCE
    1 O                 1.902       1.902       0.000
    2 H                 0.967       0.967       0.000
    3 H                 0.967       0.967      -0.000

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

 POINT   1           X           Y           Z (BOHR)    CHARGE
                -1.624813    5.980379    0.074355        0.00 (A.U.)
         DX          DY          DZ         /D/  (DEBYE)
     0.968150    0.875436    1.052726    1.676883
 ...... END OF PROPERTY EVALUATION ......
 STEP CPU TIME =     0.00 TOTAL CPU TIME =          0.0 (      0.0 MIN)
 TOTAL WALL CLOCK TIME=          0.1 SECONDS, CPU UTILIZATION IS    42.86%
                580000  WORDS OF DYNAMIC MEMORY USED
 EXECUTION OF GAMESS TERMINATED NORMALLY Sat Sep 14 09:30:43 2019
 DDI: 263640 bytes (0.3 MB / 0 MWords) used by master data server.

 ----------------------------------------
 CPU timing information for all processes
 ========================================
 0: 0.15 + 0.27 = 0.43
 ----------------------------------------
 ddikick.x: exited gracefully.
----- accounting info -----
Files used on the master node crcfe01.crc.nd.edu were:
-rw-r--r-- 1 wschnei1 campus 1717 Sep 14 09:30 /scratch365/wschnei1/H2O-3.F07
Sat Sep 14 09:30:47 EDT 2019
0.380u 0.277s 0:04.53 14.3%	0+0k 0+40io 0pf+0w