Description: H2O - RHF/MINI outputs
Submitted by iibewegung on August 8, 2018

GAMESS (Text)

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----- GAMESS execution script 'rungms' -----
This job is running on host sri
under operating system Linux at Sat Aug 4 01:26:51 KST 2018
Available scratch disk space (Kbyte units) at beginning of the job is
Filesystem     1K-blocks      Used Available Use% Mounted on
/dev/sda8      885068976 369534544 470552428  44% /vhome
GAMESS temporary binary files will be written to /vhome/chihiro/tmp
GAMESS supplementary output files will be written to /home/chihiro/doc/research/hubb-chem/pre-CC/gms
Copying input file H2O-RHF-mini.inp to your run's scratch directory...
cp H2O-RHF-mini.inp /vhome/chihiro/tmp/H2O-RHF-mini.F05
unset echo
/home/chihiro/arc/gamess/ddikick.x /home/chihiro/arc/gamess/gamess.00.x H2O-RHF-mini -ddi 1 2 sri:cpus=2 -scr /vhome/chihiro/tmp

 Distributed Data Interface kickoff program.
 Initiating 2 compute processes on 1 nodes to run the following command:
 /home/chihiro/arc/gamess/gamess.00.x H2O-RHF-mini 

          ******************************************************
          *         GAMESS VERSION = 18 AUG 2016 (R1)          *
          *             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 LINUX 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, GRAHAM FLETCHER, MARK FREITAG, KURT GLAESEMANN,
     DAN KEMP, GRANT MERRILL, NORIYUKI MINEZAWA, JONATHAN MULLIN,
     TAKESHI NAGATA, SEAN NEDD, HEATHER NETZLOFF, BOSILJKA NJEGIC, RYAN OLSON,
     MIKE PAK, 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


 PARALLEL VERSION RUNNING ON        2 PROCESSORS IN        1 NODES.

 EXECUTION OF GAMESS BEGUN Sat Aug  4 01:26:51 2018

            ECHO OF THE FIRST FEW INPUT CARDS -
 INPUT CARD> $CONTRL        RUNTYP=ENERGY $END                                              
 INPUT CARD> $CONTRL        SCFTYP=RHF $END                                                 
 INPUT CARD> $CONTRL        MULT=1 ISPHER=1 $END                                            
 INPUT CARD> $CONTRL        NPRINT=4 $END                                                   
 INPUT CARD> $SYSTEM        TIMLIM=525600 MWORDS=1000 MEMDDI=1 $END                         
 INPUT CARD> $BASIS         EXTFIL=.T. GBASIS=HMINI $END                                    
 INPUT CARD> $GUESS         GUESS=HCORE $END                                                
 INPUT CARD> $DATA                                                                          
 INPUT CARD>Water molecule                                                                  
 INPUT CARD>C1                                                                              
 INPUT CARD> O      8.0     0.0         0.00000     0.1173                                  
 INPUT CARD> H      1.0     0.0         0.7572     -0.4692                                  
 INPUT CARD> H      1.0     0.0        -0.7572     -0.4692                                  
 INPUT CARD> $END                                                                           
 1000000000 WORDS OF MEMORY AVAILABLE

     $BASIS REQUESTS READING THE "HMINI   " BASIS SET FROM AN EXTERNAL FILE


     RUN TITLE
     ---------
 Water molecule                                                                  

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

 THE EXTERNAL BASIS SET FILE BEING READ IS
     "/home/chihiro/doc/research/hubb-chem/pre-CC/gms/H2O-RHF-mini.xtb"

 ATOM      ATOMIC                      COORDINATES (BOHR)
           CHARGE         X                   Y                   Z
 O           8.0     0.0000000000        0.0000000000        0.2216648584
 H           1.0     0.0000000000        1.4309005179       -0.8866594334
 H           1.0     0.0000000000       -1.4309005179       -0.8866594334

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

                1 O          2 H          3 H     

   1 O       0.0000000    0.9577756 *  0.9577756 *
   2 H       0.9577756 *  0.0000000    1.5144000 *
   3 H       0.9577756 *  1.5144000 *  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           281.8665800    0.069060029113
      1   S       2            42.4160000    0.393159165739
      1   S       3             9.0956200    0.665669280618

      2   S       4            11.4660300   -0.080819929529
      2   S       5             0.8878600    0.582089492448
      2   S       6             0.2788000    0.497159566502

      3   P       7             8.0472400    0.124270988502
      3   P       8             1.6684200    0.476593955905
      3   P       9             0.3725100    0.613043943280

 H         

      4   S      10             4.5018000    0.070452003325
      4   S      11             0.6814440    0.407826019247
      4   S      12             0.1513980    0.647752030571

 H         

      5   S      13             4.5018000    0.070452003325
      5   S      14             0.6814440    0.407826019247
      5   S      15             0.1513980    0.647752030571

 TOTAL NUMBER OF BASIS SET SHELLS             =    5
 NUMBER OF CARTESIAN GAUSSIAN BASIS FUNCTIONS =    7
 NOTE: THIS RUN WILL RESTRICT THE MO VARIATION SPACE TO SPHERICAL HARMONICS.
 THE NUMBER OF ORBITALS KEPT IN THE VARIATIONAL SPACE WILL BE PRINTED LATER.
 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        9.1895344284

     $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=       4     IREST =       0     GEOM  =INPUT   
 NORMF =       0     NORMP =       0     ITOL  =      20     ICUT  =       9
 INTTYP=BEST         GRDTYP=BEST         QMTTOL= 1.0E-06

     $SYSTEM OPTIONS
     ---------------
  REPLICATED MEMORY=  1000000000 WORDS (ON EVERY NODE).
 DISTRIBUTED MEMDDI=           1 MILLION WORDS IN AGGREGATE,
 MEMDDI DISTRIBUTED OVER   2 PROCESSORS IS      500000 WORDS/PROCESSOR.
 TOTAL MEMORY REQUESTED ON EACH PROCESSOR=  1000500000 WORDS.
 TIMLIM=      525600.00 MINUTES, OR     365.0 DAYS.
 PARALL= T  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     

 *** WARNING ***
 THREADED 2-ELECTRON INTEGRAL CODE ONLY WORKS WITH DIRECT HARTREE-FOCK
 INTOMP OPTION WAS IGNORED

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

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

 -- VARIATIONAL SPACE WILL BE RESTRICTED TO PURE SPHERICAL HARMONICS ONLY --
 AFTER EXCLUDING CONTAMINANT COMBINATIONS FROM THE CARTESIAN GAUSSIAN BASIS
 SET, THE NUMBER OF SPHERICAL HARMONICS KEPT IN THE VARIATION SPACE IS    7

     DIMENSIONS OF THE SYMMETRY SUBSPACES ARE
 A   =    7

 ..... DONE SETTING UP THE RUN .....
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.0 SECONDS, CPU UTILIZATION IS 100.00%

          ********************
          1 ELECTRON INTEGRALS
          ********************
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.0 SECONDS, CPU UTILIZATION IS 100.00%

          -------------
          GUESS OPTIONS
          -------------
          GUESS =HCORE             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 HCORE    ROUTINE.

 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 ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.0 SECONDS, CPU UTILIZATION IS 100.00%

                    ----------------------
                    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   89371 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
   1   1   1   1  1.0      4.804422441    2   1   1   1  1.0      0.619505881
   2   2   1   1  1.0      1.111504405    2   1   2   1  1.0      0.100550917
   2   2   2   1  1.0      0.220616062    2   2   2   2  1.0      0.813039133
 II,JST,KST,LST =  3  1  1  1 NREC =         1 INTLOC =    7
   3   3   1   1  1.0      1.096216801    4   4   1   1  1.0      1.096216801
   5   5   1   1  1.0      1.096216801    3   1   3   1  1.0      0.029463157
   4   1   4   1  1.0      0.029463157    5   1   5   1  1.0      0.029463157
   3   3   2   1  1.0      0.215614117    4   4   2   1  1.0      0.215614117
   5   5   2   1  1.0      0.215614117    3   2   3   1  1.0      0.036508406
   4   2   4   1  1.0      0.036508406    5   2   5   1  1.0      0.036508406
   3   3   2   2  1.0      0.785830660    4   4   2   2  1.0      0.785830660
   5   5   2   2  1.0      0.785830660    3   2   3   2  1.0      0.168258502
   4   2   4   2  1.0      0.168258502    5   2   5   2  1.0      0.168258502
   3   3   3   3  1.0      0.815914448    4   3   4   3  1.0      0.041117426
   4   4   3   3  1.0      0.733679595    4   4   4   4  1.0      0.815914448
   5   3   5   3  1.0      0.041117426    5   4   5   4  1.0      0.041117426
   5   5   3   3  1.0      0.733679595    5   5   4   4  1.0      0.733679595
 II,JST,KST,LST =  4  1  1  1 NREC =         1 INTLOC =   34
 II,JST,KST,LST =  5  1  1  1 NREC =         1 INTLOC =   34
   5   5   5   5  1.0      0.815914448    7   1   1   1  1.0      0.184246197
   7   2   1   1  1.0      0.437286531    7   1   2   1  1.0      0.028467611
   7   2   2   1  1.0      0.087408512    7   1   2   2  1.0      0.060164036
   7   2   2   2  1.0      0.355499359    7   4   1   1  1.0     -0.210867332
   7   5   1   1  1.0     -0.163330283    7   1   4   1  1.0     -0.001011107
   7   1   5   1  1.0     -0.000783167    7   4   2   1  1.0     -0.042585547
   7   5   2   1  1.0     -0.032985239    7   2   4   1  1.0     -0.004612828
   7   2   5   1  1.0     -0.003572931    7   1   4   2  1.0     -0.001533135
   7   1   5   2  1.0     -0.001187512    7   4   2   2  1.0     -0.187316606
   7   5   2   2  1.0     -0.145088734    7   2   4   2  1.0     -0.035991070
   7   2   5   2  1.0     -0.027877394    7   3   3   1  1.0      0.010845995
   7   4   4   1  1.0      0.012908076    7   4   5   1  1.0      0.001597214
   7   5   4   1  1.0      0.001597214    7   5   5   1  1.0      0.012083140
   7   1   3   3  1.0      0.058829302    7   1   4   4  1.0      0.058950147
   7   1   5   4  1.0      0.000093602    7   1   5   5  1.0      0.058901803
   7   3   3   2  1.0      0.063850207    7   4   4   2  1.0      0.083192006
   7   4   5   2  1.0      0.014981465    7   5   4   2  1.0      0.014981465
   7   5   5   2  1.0      0.075454313    7   2   3   3  1.0      0.341674732
   7   2   4   4  1.0      0.349276158    7   2   5   4  1.0      0.005887793
   7   2   5   5  1.0      0.346235205    7   3   4   3  1.0     -0.007800556
   7   3   5   3  1.0     -0.006042031    7   4   3   3  1.0     -0.175533825
   7   4   4   4  1.0     -0.195637009    7   4   5   4  1.0     -0.009529175
   7   4   5   5  1.0     -0.178234842    7   5   3   3  1.0     -0.135962214
   7   5   4   4  1.0     -0.139449358    7   5   5   4  1.0     -0.010501573
   7   5   5   5  1.0     -0.150138387
 TOTAL NUMBER OF NONZERO TWO-ELECTRON INTEGRALS =                 228
          2 INTEGRAL RECORDS WERE STORED ON DISK FILE  8.
  ...... END OF TWO-ELECTRON INTEGRALS .....
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.0 SECONDS, CPU UTILIZATION IS 100.00%

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

     NUCLEAR ENERGY =         9.1895344284
     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      -73.9348693524   -73.9348693524   1.929041943   0.000000000
   2  1  0      -75.4379781490    -1.5031087966   0.162617448   0.000000000
   3  2  0      -75.4543755593    -0.0163974103   0.044455781   0.000000000
   4  3  0      -75.4550400224    -0.0006644631   0.013997802   0.000000000
   5  0  0      -75.4551311042    -0.0000910818   0.010816357   0.000000000
   6  1  0      -75.4551542879    -0.0000231837   0.000371749   0.000000000
   7  2  0      -75.4551544376    -0.0000001497   0.000124424   0.000000000
   8  3  0      -75.4551544526    -0.0000000150   0.000042686   0.000000000
   9  4  0      -75.4551544546    -0.0000000020   0.000020161   0.000000000
  10  5  0      -75.4551544550    -0.0000000003   0.000009612   0.000000000
  11  6  0      -75.4551544550    -0.0000000001   0.000004550   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      -75.4551544550 AFTER  11 ITERATIONS

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

                      1          2          3          4          5
                  -20.3691    -1.3442    -0.6806    -0.5488    -0.5037
                     A          A          A          A          A   
    1  O  1  S    0.990485  -0.220130   0.000000  -0.084921   0.000000
    2  O  1  S    0.050042   0.857860   0.000000   0.478799   0.000000
    3  O  1  X    0.000000   0.000000   0.000000  -0.000000   1.000000
    4  O  1  Y    0.000000   0.000000   0.646010  -0.000000   0.000000
    5  O  1  Z   -0.007815  -0.159067   0.000000   0.832747   0.000000
    6  H  2  S   -0.012656   0.119464   0.429614  -0.211475   0.000000
    7  H  3  S   -0.012656   0.119464  -0.429614  -0.211475   0.000000

                      6          7
                    0.3754     0.5239
                     A          A   
    1  O  1  S   -0.120448   0.000000
    2  O  1  S    0.948256   0.000000
    3  O  1  X   -0.000000   0.000000
    4  O  1  Y   -0.000000   1.023994
    5  O  1  Z   -0.673250   0.000000
    6  H  2  S   -0.811895  -0.991011
    7  H  3  S   -0.811895   0.991011
 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.0 SECONDS, CPU UTILIZATION IS  66.67%

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

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

         WAVEFUNCTION NORMALIZATION =       1.0000000000

                ONE ELECTRON ENERGY =    -122.3966321068
                TWO ELECTRON ENERGY =      37.7519432233
           NUCLEAR REPULSION ENERGY =       9.1895344284
                                      ------------------
                       TOTAL ENERGY =     -75.4551544550

 ELECTRON-ELECTRON POTENTIAL ENERGY =      37.7519432233
  NUCLEUS-ELECTRON POTENTIAL ENERGY =    -197.9017295857
   NUCLEUS-NUCLEUS POTENTIAL ENERGY =       9.1895344284
                                      ------------------
             TOTAL POTENTIAL ENERGY =    -150.9602519340
               TOTAL KINETIC ENERGY =      75.5050974790
                 VIRIAL RATIO (V/T) =       1.9993385477

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

 ENERGY ANALYSIS:
            FOCK ENERGY=    -46.8927464053
          BARE H ENERGY=   -122.3966321068
     ELECTRONIC ENERGY =    -84.6446892560
         KINETIC ENERGY=     75.5050974790
          N-N REPULSION=      9.1895344284
           TOTAL ENERGY=    -75.4551548276
        SIGMA PART(1+2)=    -76.8200104075
               (K,V1,2)=     70.4877510348   -178.2423546580     30.9345932157
           PI PART(1+2)=     -7.8246788485
               (K,V1,2)=      5.0173464442    -19.6593749277      6.8173496351
  SIGMA SKELETON, ERROR=    -67.6304759791      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
          ---------------------------------------

     ATOMIC MULLIKEN POPULATION IN EACH MOLECULAR ORBITAL

                      1          2          3          4          5

                  2.000000   2.000000   2.000000   2.000000   2.000000

    1             2.003314   1.693843   1.185423   1.790721   2.000000
    2            -0.001657   0.153079   0.407288   0.104639   0.000000
    3            -0.001657   0.153079   0.407288   0.104639   0.000000

               ----- POPULATIONS IN EACH AO -----
                             MULLIKEN      LOWDIN
              1  O  1  S      1.99578     1.99594
              2  O  1  S      1.86353     1.65192
              3  O  1  X      2.00000     2.00000
              4  O  1  Y      1.18542     1.22326
              5  O  1  Z      1.62857     1.62385
              6  H  2  S      0.66335     0.75251
              7  H  3  S      0.66335     0.75251

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

             1           2           3

    1    8.1349916
    2    0.2691549   0.4874438
    3    0.2691549  -0.0932494   0.4874438

          TOTAL MULLIKEN AND LOWDIN ATOMIC POPULATIONS
       ATOM         MULL.POP.    CHARGE          LOW.POP.     CHARGE
    1 O             8.673301   -0.673301         8.494981   -0.494981
    2 H             0.663349    0.336651         0.752510    0.247490
    3 H             0.663349    0.336651         0.752510    0.247490

          MULLIKEN SPHERICAL HARMONIC POPULATIONS
       ATOM           S       P       D      F      G      H      I    TOTAL
    1 O             3.86    4.81    0.00   0.00   0.00   0.00   0.00    8.67
    2 H             0.66    0.00    0.00   0.00   0.00   0.00   0.00    0.66
    3 H             0.66    0.00    0.00   0.00   0.00   0.00   0.00    0.66

          -------------------------------
          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  0.958  0.864        1   3  0.958  0.864

                       TOTAL       BONDED        FREE
      ATOM            VALENCE     VALENCE     VALENCE
    1 O                 1.728       1.728      -0.000
    2 H                 0.887       0.887       0.000
    3 H                 0.887       0.887      -0.000

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

 POINT   1           X           Y           Z (BOHR)    CHARGE
                 0.000000    0.000000    0.097627        0.00 (A.U.)
         DX          DY          DZ         /D/  (DEBYE)
     0.000000    0.000000   -2.187225    2.187225
 ...... END OF PROPERTY EVALUATION ......
 CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.0 SECONDS, CPU UTILIZATION IS  66.67%
               580000  WORDS OF DYNAMIC MEMORY USED
 EXECUTION OF GAMESS TERMINATED NORMALLY Sat Aug  4 01:26:51 2018
 DDI: 263640 bytes (0.3 MB / 0 MWords) used by master data server.
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL

 ----------------------------------------
 CPU timing information for all processes
 ========================================
 0: 0.25 + 0.03 = 0.29
 1: 0.14 + 0.00 = 0.14
 ----------------------------------------
Note: The following floating-point exceptions are signalling:
 *** WARNING ***
 THREADED 2-ELECTRON INTEGRAL CODE ONLY WORKS WITH DIRECT HARTREE-FOCK
 INTOMP OPTION WAS IGNORED
 IEEE_DENORMAL
 ddikick.x: exited gracefully.
unset echo
----- accounting info -----
Files used on the master node sri were:
-rw-r--r-- 1 chihiro chihiro     542 Aug  4 01:26 /vhome/chihiro/tmp/H2O-RHF-mini.F05
-rw-r--r-- 1 chihiro chihiro  180016 Aug  4 01:26 /vhome/chihiro/tmp/H2O-RHF-mini.F08
-rw-r--r-- 1 chihiro chihiro  180016 Aug  4 01:26 /vhome/chihiro/tmp/H2O-RHF-mini.F08.001
-rw-r--r-- 1 chihiro chihiro 1505120 Aug  4 01:26 /vhome/chihiro/tmp/H2O-RHF-mini.F10
ls: No match.
ls: No match.
ls: No match.
Sat Aug  4 01:26:54 KST 2018
0.137u 0.023s 0:03.19 4.7%	0+0k 0+24io 0pf+0w

Molpro 2015.1 (Text)

123456789101112131415161718192021222324252627282930313233343536373839404142434445464748495051525354555657585960616263646566676869707172737475767778798081828384858687888990919293949596979899100101102103104105106107108109110111112113114115116117118119120121122123124125126127128129130131132133134135136137138139140141142143144145146147148149150151152153154155156157158159160161162163164165166167168169170171172173174175176177178179180181182183184185186187188189190191192193194195196197198199200201202203204205206207208209210211212213214215216217218219220221222223224225226227228229230231232233234235236237238239240241242243244245246247248249250251252253254255256257258259260261262263264265266267268269270271272273274275276277278279280281282283284285286287288289290291292293294295296297298299300301302303304305306307308309310311312313314315316317318319320321322323324325326327328329330331332333334335336337338339340341342343344345346347348349350351352353354355356357358359360361362363364365366367368369370371372373374375376377378379380381382383384385386387388389390391392393394395396397398399400401402403404405406407408409410411412413414415416417418419420421422423424425426427428429430431432433434435436437438439440441442443444445446447448449450451452453454455456457458459460461462463464465466467468469470471472473474475476477478479480481482483484485486487488489490491492493494495496497498499500501502503504505506507508509510511512513514515516517518519520521522523524525526527528529530531532533534535536537538539540541542543544545546547548549550551552553554555556557558559560561562563564565566567568569570571572573574575576577578579580581582583584585586587588589590591592593594595596597598599600601602603604605606607608609610611612613614615616
 Primary working directories    : /work/chihiro/mlp-254686
 Secondary working directories  : /work/chihiro/mlp-254686
 Wavefunction directory         : /home/chihiro/wfu/
 Main file repository           : /work/chihiro/mlp-254686/

 SHA1      : e0c7f9aab6313248a7a7ade58897d3f3adec42d9
 NAME      : 2015.1.15
 ARCHNAME  : linux/x86_64
 FC        : /opt/intel/composer_xe_2015.1.133/bin/intel64/ifort
 BLASLIB   : -Wl,-_start-group /opt/intel/mkl/lib/intel64/libmkl_intel_ilp64.a /opt/intel/mkl/lib/intel64/libmkl_intel_thread.a /opt/intel/mkl/lib/intel64/libmkl_core.a -Wl,-_end-group
 id        : csmmolpro

 Nodes     nprocs
 bose26       1

 Using customized tuning parameters: mindgm=1; mindgv=20; mindgc=4; mindgr=1; noblas=0; minvec=7
 default implementation of scratch files=df  

 ***,distorted benzene cation and hydrogen atom;
 
 MEMORY,500,M
 GPRINT,BASIS;                                                                   ! Print basis information
 GPRINT,ORBITAL;                                                                 ! Print orbitals in SCF and MCSCF
 CARTESIAN
 BASIS={
                                                                                 ! OXYGEN       (6s,3p) -> [2s,1p]
                                                                                 ! OXYGEN       (6s,3p)->[2s,1p]
 s, O , 281.86658, 42.416000, 9.0956200, 11.46603, 0.887860, 0.278800
 c, 1.3, 0.069060, 0.393159, 0.665669
 c, 4.6, -0.080820, 0.582090, 0.497160
 p, O , 8.047240, 1.668420, 0.372510
 c, 1.3, 0.124271, 0.476594, 0.613044
                                                                                 !
                                                                                 ! HYDROGEN       (3s) -> [1s]
                                                                                 ! HYDROGEN       (3s)->[1s]
 s, H , 4.501800, 0.681444, 0.151398
 c, 1.3, 0.070452, 0.407826, 0.647752
 }
 ANGSTROM
 
 NOSYM
 GEOMTYP=XYZ
 GEOMETRY={
 3
 O       0.0     0.0     0.1173
 H       0.0     0.7572 -0.4692
 H       0.0    -0.7572 -0.4692
 }
 
                                                                                 ! B1=0.7414
 
 INT,SPRI=2
                                                               ! http://www.molpro.net/pipermail/molpro-user/2005-April/001237.html
             ! Note that the integrals are multiplied by a factor of 0.5 for each of the 3 possible permuational symmetry elements:
        ! (ij|kl) i.eq.j or k.eq.l or ij.eq.kl, so the integrals that are printed need multiplying by 1, 2, 4, or 8 as appropriate.
                                                                                 ! SET,NELEC=2
 SET,CHARGE=0
                                                                                 ! SET,SPIN=0
 { HF;MAXIT,100; START,H0; }
                                                                                 ! { UCCSD,MAXIT=500; }
                                                                                 ! { UCCSD,MAXIT=500; ORBITAL,TYPE=NATURAL; }
                                                                                 ! { OPTG; }
 

 Variables initialized (889), CPU time= 0.00 sec
 Commands  initialized (702), CPU time= 0.01 sec, 572 directives.
 Default parameters read. Elapsed time= 0.06 sec

 Checking input...
 Passed
1


                                         ***  PROGRAM SYSTEM MOLPRO  ***
                                       Copyright, TTI GmbH Stuttgart, 2015
                                    Version 2015.1 linked Jan  2 2017 18:18:08


 **********************************************************************************************************************************
 LABEL *   distorted benzene cation and hydrogen atom;                                   
  (8 PROC) 64 bit serial version                                                         DATE: 08-Aug-18          TIME: 15:37:03  
 **********************************************************************************************************************************

 SHA1:             e0c7f9aab6313248a7a7ade58897d3f3adec42d9
 **********************************************************************************************************************************



 Variable memory set to  500000000 words,  buffer space   230000 words

 SETTING BASIS          =    USERDEF
 SETTING GEOMTYP        =    XYZ
 ZSYMEL=NOSYM
 ZUNIT=ANG
 


 Using cartesian basis functions

 cpt=0 F


 PROGRAM * SEWARD (Integral evaluation for generally contracted gaussian basis sets)     Author: Roland Lindh, 1990

 Geometry written to block  1 of record 700


 Point group  C1  



 ATOMIC COORDINATES

 NR  ATOM    CHARGE       X              Y              Z

   1  O       8.00    0.000000000    0.000000000    0.221664874
   2  H       1.00    0.000000000    1.430900622   -0.886659498
   3  H       1.00    0.000000000   -1.430900622   -0.886659498

 Bond lengths in Bohr (Angstrom)

 1-2  1.809933563  1-3  1.809933563
     ( 0.957775595)     ( 0.957775595)

 Bond angles

  2-1-3  104.47983882


 BASIS DATA

   Nr Sym  Nuc  Type         Exponents   Contraction coefficients

    1.1 A     1  s          281.866580     0.069060
                             42.416000     0.393159
                              9.095620     0.665669
    2.1 A     1  s           11.466030    -0.080820
                              0.887860     0.582090
                              0.278800     0.497160
    3.1 A     1  x            8.047240     0.124271
                              1.668420     0.476594
                              0.372510     0.613044
    4.1 A     1  y            8.047240     0.124271
                              1.668420     0.476594
                              0.372510     0.613044
    5.1 A     1  z            8.047240     0.124271
                              1.668420     0.476594
                              0.372510     0.613044
    6.1 A     2  s            4.501800     0.070452
                              0.681444     0.407826
                              0.151398     0.647752
    7.1 A     3  s            4.501800     0.070452
                              0.681444     0.407826
                              0.151398     0.647752

 NUCLEAR CHARGE:                   10
 NUMBER OF PRIMITIVE AOS:          21
 NUMBER OF SYMMETRY AOS:           21
 NUMBER OF CONTRACTIONS:            7   (   7A   )
 NUMBER OF CORE ORBITALS:           1   (   1A   )
 NUMBER OF VALENCE ORBITALS:        6   (   6A   )


 NUCLEAR REPULSION ENERGY    9.18953376

 EXTRA SYMMETRY OF AOS IN SYMMETRY 1:   1 1 2 1 1 1 1

 Eigenvalues of metric

         1 0.330E+00 0.332E+00 0.908E+00 0.100E+01 0.108E+01 0.130E+01 0.206E+01


 Contracted 2-electron integrals neglected if value below      1.0D-11
 AO integral compression algorithm  1   Integral accuracy      1.0D-11

     0.262 MB (compressed) written to integral file (100.0%)


 NUMBER OF SORTED TWO-ELECTRON INTEGRALS:        406.     BUFFER LENGTH:  32768
 NUMBER OF SEGMENTS:   1  SEGMENT LENGTH:        406      RECORD LENGTH: 524288

 Memory used in sort:       0.56 MW

 SORT1 READ         543. AND WROTE         228. INTEGRALS IN      1 RECORDS. CPU TIME:     0.00 SEC, REAL TIME:     0.00 SEC
 SORT2 READ         228. AND WROTE         406. INTEGRALS IN      1 RECORDS. CPU TIME:     0.00 SEC, REAL TIME:     0.01 SEC

 FILE SIZES:   FILE 1:    19.3 MBYTE,  FILE 4:     4.2 MBYTE,   TOTAL:     23.6 MBYTE

 Integral block=1
        1       1      1   1   1   1       0.600553
        2       2      2   1   1   1       0.309753
        3       3      2   1   2   1       0.050275
        4       4      2   2   1   1       0.277876
        5       5      2   2   2   1       0.110308
        6       6      2   2   2   2       0.101630
        7       7      3   1   1   1       0.000000
        8       8      3   1   2   1       0.000000
        9       9      3   1   2   2       0.000000
       10      10      3   1   3   1       0.014732
       11      11      3   2   1   1       0.000000
       12      12      3   2   2   1       0.000000
       13      13      3   2   2   2       0.000000
       14      14      3   2   3   1       0.036508
       15      15      3   2   3   2       0.084129
       16      16      3   3   1   1       0.274054
       17      17      3   3   2   1       0.107807
       18      18      3   3   2   2       0.196458
       19      19      3   3   3   1       0.000000
       20      20      3   3   3   2       0.000000
       21      21      3   3   3   3       0.101989
       22      22      4   1   1   1       0.000000
       23      23      4   1   2   1       0.000000
       24      24      4   1   2   2       0.000000
       25      25      4   1   3   1       0.000000
       26      26      4   1   3   2       0.000000
       27      27      4   1   3   3       0.000000
       28      28      4   1   4   1       0.014732
       29      29      4   2   1   1       0.000000
       30      30      4   2   2   1       0.000000
       31      31      4   2   2   2       0.000000
       32      32      4   2   3   1       0.000000
       33      33      4   2   3   2       0.000000
       34      34      4   2   3   3       0.000000
       35      35      4   2   4   1       0.036508
       36      36      4   2   4   2       0.084129
       37      37      4   3   1   1       0.000000
       38      38      4   3   2   1       0.000000
       39      39      4   3   2   2       0.000000
       40      40      4   3   3   1       0.000000
       41      41      4   3   3   2       0.000000
       42      42      4   3   3   3       0.000000
       43      43      4   3   4   1       0.000000
       44      44      4   3   4   2       0.000000
       45      45      4   3   4   3       0.020559
       46      46      4   4   1   1       0.274054
       47      47      4   4   2   1       0.107807
       48      48      4   4   2   2       0.196458
       49      49      4   4   3   1       0.000000
       50      50      4   4   3   2       0.000000
       51      51      4   4   3   3       0.183420
       52      52      4   4   4   1       0.000000
       53      53      4   4   4   2       0.000000
       54      54      4   4   4   3       0.000000
       55      55      4   4   4   4       0.101989
       56      56      5   1   1   1       0.000000
       57      57      5   1   2   1       0.000000
       58      58      5   1   2   2       0.000000
       59      59      5   1   3   1       0.000000
       60      60      5   1   3   2       0.000000
       61      61      5   1   3   3       0.000000
       62      62      5   1   4   1       0.000000
       63      63      5   1   4   2       0.000000
       64      64      5   1   4   3       0.000000
       65      65      5   1   4   4       0.000000
       66      66      5   1   5   1       0.014732
       67      67      5   2   1   1       0.000000
       68      68      5   2   2   1       0.000000
       69      69      5   2   2   2       0.000000
       70      70      5   2   3   1       0.000000
       71      71      5   2   3   2       0.000000
       72      72      5   2   3   3       0.000000
       73      73      5   2   4   1       0.000000
       74      74      5   2   4   2       0.000000
       75      75      5   2   4   3       0.000000
       76      76      5   2   4   4       0.000000
       77      77      5   2   5   1       0.036508
       78      78      5   2   5   2       0.084129
       79      79      5   3   1   1       0.000000
       80      80      5   3   2   1       0.000000
       81      81      5   3   2   2       0.000000
       82      82      5   3   3   1       0.000000
       83      83      5   3   3   2       0.000000
       84      84      5   3   3   3       0.000000
       85      85      5   3   4   1       0.000000
       86      86      5   3   4   2       0.000000
       87      87      5   3   4   3       0.000000
       88      88      5   3   4   4       0.000000
       89      89      5   3   5   1       0.000000
       90      90      5   3   5   2       0.000000
       91      91      5   3   5   3       0.020559
       92      92      5   4   1   1       0.000000
       93      93      5   4   2   1       0.000000
       94      94      5   4   2   2       0.000000
       95      95      5   4   3   1       0.000000
       96      96      5   4   3   2       0.000000
       97      97      5   4   3   3       0.000000
       98      98      5   4   4   1       0.000000
       99      99      5   4   4   2       0.000000
      100     100      5   4   4   3       0.000000
      101     101      5   4   4   4       0.000000
      102     102      5   4   5   1       0.000000
      103     103      5   4   5   2       0.000000
      104     104      5   4   5   3       0.000000
      105     105      5   4   5   4       0.020559
      106     106      5   5   1   1       0.274054
      107     107      5   5   2   1       0.107807
      108     108      5   5   2   2       0.196458
      109     109      5   5   3   1       0.000000
      110     110      5   5   3   2       0.000000
      111     111      5   5   3   3       0.183420
      112     112      5   5   4   1       0.000000
      113     113      5   5   4   2       0.000000
      114     114      5   5   4   3       0.000000
      115     115      5   5   4   4       0.183420
      116     116      5   5   5   1       0.000000
      117     117      5   5   5   2       0.000000
      118     118      5   5   5   3       0.000000
      119     119      5   5   5   4       0.000000
      120     120      5   5   5   5       0.101989
      121     121      6   1   1   1       0.092123
      122     122      6   1   2   1       0.028468
      123     123      6   1   2   2       0.030082
      124     124      6   1   3   1       0.000000
      125     125      6   1   3   2       0.000000
      126     126      6   1   3   3       0.029415
      127     127      6   1   4   1       0.001011
      128     128      6   1   4   2       0.001533
      129     129      6   1   4   3       0.000000
      130     130      6   1   4   4       0.029475
      131     131      6   1   5   1      -0.000783
      132     132      6   1   5   2      -0.001188
      133     133      6   1   5   3       0.000000
      134     134      6   1   5   4      -0.000094
      135     135      6   1   5   5       0.029451
      136     136      6   1   6   1       0.004100
      137     137      6   2   1   1       0.218643
      138     138      6   2   2   1       0.087409
      139     139      6   2   2   2       0.177750
      140     140      6   2   3   1       0.000000
      141     141      6   2   3   2       0.000000
      142     142      6   2   3   3       0.170837
      143     143      6   2   4   1       0.004613
      144     144      6   2   4   2       0.035991
      145     145      6   2   4   3       0.000000
      146     146      6   2   4   4       0.174638
      147     147      6   2   5   1      -0.003573
      148     148      6   2   5   2      -0.027877
      149     149      6   2   5   3       0.000000
      150     150      6   2   5   4      -0.005888
      151     151      6   2   5   5       0.173118
      152     152      6   2   6   1       0.024147
      153     153      6   2   6   2       0.090452
      154     154      6   3   1   1       0.000000
      155     155      6   3   2   1       0.000000
      156     156      6   3   2   2       0.000000
      157     157      6   3   3   1       0.010846
      158     158      6   3   3   2       0.063850
      159     159      6   3   3   3       0.000000
      160     160      6   3   4   1       0.000000
      161     161      6   3   4   2       0.000000
      162     162      6   3   4   3       0.007801
      163     163      6   3   4   4       0.000000
      164     164      6   3   5   1       0.000000
      165     165      6   3   5   2       0.000000
      166     166      6   3   5   3      -0.006042
      167     167      6   3   5   4       0.000000
      168     168      6   3   5   5       0.000000
      169     169      6   3   6   1       0.000000
      170     170      6   3   6   2       0.000000
      171     171      6   3   6   3       0.015306
      172     172      6   4   1   1       0.105434
      173     173      6   4   2   1       0.042586
      174     174      6   4   2   2       0.093658
      175     175      6   4   3   1       0.000000
      176     176      6   4   3   2       0.000000
      177     177      6   4   3   3       0.087767
      178     178      6   4   4   1       0.012908
      179     179      6   4   4   2       0.083192
      180     180      6   4   4   3       0.000000
      181     181      6   4   4   4       0.097818
      182     182      6   4   5   1      -0.001597
      183     183      6   4   5   2      -0.014981
      184     184      6   4   5   3       0.000000
      185     185      6   4   5   4      -0.009529
      186     186      6   4   5   5       0.089117
      187     187      6   4   6   1       0.012208
      188     188      6   4   6   2       0.118351
      189     189      6   4   6   3       0.000000
      190     190      6   4   6   4       0.054898
      191     191      6   5   1   1      -0.081665
      192     192      6   5   2   1      -0.032985
      193     193      6   5   2   2      -0.072544
      194     194      6   5   3   1       0.000000
      195     195      6   5   3   2       0.000000
      196     196      6   5   3   3      -0.067981
      197     197      6   5   4   1      -0.001597
      198     198      6   5   4   2      -0.014981
      199     199      6   5   4   3       0.000000
      200     200      6   5   4   4      -0.069725
      201     201      6   5   5   1       0.012083
      202     202      6   5   5   2       0.075454
      203     203      6   5   5   3       0.000000
      204     204      6   5   5   4       0.010502
      205     205      6   5   5   5      -0.075069
      206     206      6   5   6   1      -0.009456
      207     207      6   5   6   2      -0.091671
      208     208      6   5   6   3       0.000000
      209     209      6   5   6   4      -0.061332
      210     210      6   5   6   5       0.039059
      211     211      6   6   1   1       0.127663
      212     212      6   6   2   1       0.051638
      213     213      6   6   2   2       0.119867
      214     214      6   6   3   1       0.000000
      215     215      6   6   3   2       0.000000
      216     216      6   6   3   3       0.114242
      217     217      6   6   4   1       0.003886
      218     218      6   6   4   2       0.042514
      219     219      6   6   4   3       0.000000
      220     220      6   6   4   4       0.121575
      221     221      6   6   5   1      -0.003010
      222     222      6   6   5   2      -0.032930
      223     223      6   6   5   3       0.000000
      224     224      6   6   5   4      -0.011359
      225     225      6   6   5   5       0.118641
      226     226      6   6   6   1       0.014331
      227     227      6   6   6   2       0.146947
      228     228      6   6   6   3       0.000000
      229     229      6   6   6   4       0.115738
      230     230      6   6   6   5      -0.089647
      231     231      6   6   6   6       0.078198
      232     232      7   1   1   1       0.092123
      233     233      7   1   2   1       0.028468
      234     234      7   1   2   2       0.030082
      235     235      7   1   3   1       0.000000
      236     236      7   1   3   2       0.000000
      237     237      7   1   3   3       0.029415
      238     238      7   1   4   1      -0.001011
      239     239      7   1   4   2      -0.001533
      240     240      7   1   4   3       0.000000
      241     241      7   1   4   4       0.029475
      242     242      7   1   5   1      -0.000783
      243     243      7   1   5   2      -0.001188
      244     244      7   1   5   3       0.000000
      245     245      7   1   5   4       0.000094
      246     246      7   1   5   5       0.029451
      247     247      7   1   6   1       0.008126
      248     248      7   1   6   2       0.023729
      249     249      7   1   6   3       0.000000
      250     250      7   1   6   4       0.011083
      251     251      7   1   6   5      -0.009291
      252     252      7   1   6   6       0.013970
      253     253      7   1   7   1       0.004100
      254     254      7   2   1   1       0.218643
      255     255      7   2   2   1       0.087409
      256     256      7   2   2   2       0.177750
      257     257      7   2   3   1       0.000000
      258     258      7   2   3   2       0.000000
      259     259      7   2   3   3       0.170837
      260     260      7   2   4   1      -0.004613
      261     261      7   2   4   2      -0.035991
      262     262      7   2   4   3       0.000000
      263     263      7   2   4   4       0.174638
      264     264      7   2   5   1      -0.003573
      265     265      7   2   5   2      -0.027877
      266     266      7   2   5   3       0.000000
      267     267      7   2   5   4       0.005888
      268     268      7   2   5   5       0.173118
      269     269      7   2   6   1       0.023729
      270     270      7   2   6   2       0.158327
      271     271      7   2   6   3       0.000000
      272     272      7   2   6   4       0.070060
      273     273      7   2   6   5      -0.077634
      274     274      7   2   6   6       0.111141
      275     275      7   2   7   1       0.024147
      276     276      7   2   7   2       0.090452
      277     277      7   3   1   1       0.000000
      278     278      7   3   2   1       0.000000
      279     279      7   3   2   2       0.000000
      280     280      7   3   3   1       0.010846
      281     281      7   3   3   2       0.063850
      282     282      7   3   3   3       0.000000
      283     283      7   3   4   1       0.000000
      284     284      7   3   4   2       0.000000
      285     285      7   3   4   3      -0.007801
      286     286      7   3   4   4       0.000000
      287     287      7   3   5   1       0.000000
      288     288      7   3   5   2       0.000000
      289     289      7   3   5   3      -0.006042
      290     290      7   3   5   4       0.000000
      291     291      7   3   5   5       0.000000
      292     292      7   3   6   1       0.000000
      293     293      7   3   6   2       0.000000
      294     294      7   3   6   3       0.025996
      295     295      7   3   6   4       0.000000
      296     296      7   3   6   5       0.000000
      297     297      7   3   6   6       0.000000
      298     298      7   3   7   1       0.000000
      299     299      7   3   7   2       0.000000
      300     300      7   3   7   3       0.015306
      301     301      7   4   1   1      -0.105434
      302     302      7   4   2   1      -0.042586
      303     303      7   4   2   2      -0.093658
      304     304      7   4   3   1       0.000000
      305     305      7   4   3   2       0.000000
      306     306      7   4   3   3      -0.087767
      307     307      7   4   4   1       0.012908
      308     308      7   4   4   2       0.083192
      309     309      7   4   4   3       0.000000
      310     310      7   4   4   4      -0.097818
      311     311      7   4   5   1       0.001597
      312     312      7   4   5   2       0.014981
      313     313      7   4   5   3       0.000000
      314     314      7   4   5   4      -0.009529
      315     315      7   4   5   5      -0.089117
      316     316      7   4   6   1      -0.011083
      317     317      7   4   6   2      -0.070060
      318     318      7   4   6   3       0.000000
      319     319      7   4   6   4      -0.004435
      320     320      7   4   6   5       0.033780
      321     321      7   4   6   6      -0.041535
      322     322      7   4   7   1      -0.012208
      323     323      7   4   7   2      -0.118351
      324     324      7   4   7   3       0.000000
      325     325      7   4   7   4       0.054898
      326     326      7   5   1   1      -0.081665
      327     327      7   5   2   1      -0.032985
      328     328      7   5   2   2      -0.072544
      329     329      7   5   3   1       0.000000
      330     330      7   5   3   2       0.000000
      331     331      7   5   3   3      -0.067981
      332     332      7   5   4   1       0.001597
      333     333      7   5   4   2       0.014981
      334     334      7   5   4   3       0.000000
      335     335      7   5   4   4      -0.069725
      336     336      7   5   5   1       0.012083
      337     337      7   5   5   2       0.075454
      338     338      7   5   5   3       0.000000
      339     339      7   5   5   4      -0.010502
      340     340      7   5   5   5      -0.075069
      341     341      7   5   6   1      -0.009291
      342     342      7   5   6   2      -0.077634
      343     343      7   5   6   3       0.000000
      344     344      7   5   6   4      -0.033780
      345     345      7   5   6   5       0.064525
      346     346      7   5   6   6      -0.062559
      347     347      7   5   7   1      -0.009456
      348     348      7   5   7   2      -0.091671
      349     349      7   5   7   3       0.000000
      350     350      7   5   7   4       0.061332
      351     351      7   5   7   5       0.039059
      352     352      7   6   1   1       0.110225
      353     353      7   6   2   1       0.044369
      354     354      7   6   2   2       0.098774
      355     355      7   6   3   1       0.000000
      356     356      7   6   3   2       0.000000
      357     357      7   6   3   3       0.095217
      358     358      7   6   4   1       0.000000
      359     359      7   6   4   2       0.000000
      360     360      7   6   4   3       0.000000
      361     361      7   6   4   4       0.096812
      362     362      7   6   5   1      -0.002903
      363     363      7   6   5   2      -0.028352
      364     364      7   6   5   3       0.000000
      365     365      7   6   5   4       0.000000
      366     366      7   6   5   5       0.098769
      367     367      7   6   6   1       0.012177
      368     368      7   6   6   2       0.102671
      369     369      7   6   6   3       0.000000
      370     370      7   6   6   4       0.058660
      371     371      7   6   6   5      -0.060522
      372     372      7   6   6   6       0.088393
      373     373      7   6   7   1       0.012177
      374     374      7   6   7   2       0.102671
      375     375      7   6   7   3       0.000000
      376     376      7   6   7   4      -0.058660
      377     377      7   6   7   5      -0.060522
      378     378      7   6   7   6       0.034592
      379     379      7   7   1   1       0.127663
      380     380      7   7   2   1       0.051638
      381     381      7   7   2   2       0.119867
      382     382      7   7   3   1       0.000000
      383     383      7   7   3   2       0.000000
      384     384      7   7   3   3       0.114242
      385     385      7   7   4   1      -0.003886
      386     386      7   7   4   2      -0.042514
      387     387      7   7   4   3       0.000000
      388     388      7   7   4   4       0.121575
      389     389      7   7   5   1      -0.003010
      390     390      7   7   5   2      -0.032930
      391     391      7   7   5   3       0.000000
      392     392      7   7   5   4       0.011359
      393     393      7   7   5   5       0.118641
      394     394      7   7   6   1       0.013970
      395     395      7   7   6   2       0.111141
      396     396      7   7   6   3       0.000000
      397     397      7   7   6   4       0.041535
      398     398      7   7   6   5      -0.062559
      399     399      7   7   6   6       0.083298
      400     400      7   7   7   1       0.014331
      401     401      7   7   7   2       0.146947
      402     402      7   7   7   3       0.000000
      403     403      7   7   7   4      -0.115738
      404     404      7   7   7   5      -0.089647
      405     405      7   7   7   6       0.088393
      406     406      7   7   7   7       0.078198

 OPERATOR DM      FOR CENTER  0  COORDINATES:    0.000000    0.000000    0.000000


 **********************************************************************************************************************************
 DATASETS  * FILE   NREC   LENGTH (MB)   RECORD NAMES
              1      19       19.09       500      610      700      900      950      970     1000      129      960     1100   
                                          VAR    BASINP    GEOM    SYMINP    ZMAT    AOBASIS   BASIS     P2S    ABASIS      S 
                                         1400     1410     1200     1210     1080     1600     1650     1300     1700   
                                           T        V       H0       H01     AOSYM     SMH    MOLCAS    ERIS     OPER   

 PROGRAMS   *        TOTAL       INT
 CPU TIMES  *         0.22      0.11
 REAL TIME  *         0.46 SEC
 DISK USED  *        23.87 MB      
 **********************************************************************************************************************************

 INT/USERDEF energy=      0.000000000000
 **********************************************************************************************************************************
 Molpro calculation terminated
 Variable memory released
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 Entering Gaussian System, Link 0=g09
 Input=H2O-RHF-mini.inp
 Output=H2O-RHF-mini.log
 Initial command:
 /ghome/chihiro/gaussian/g09-d.01/l1.exe "/vhome/tmp/Gau-12439.inp" -scrdir="/vhome/tmp/"
 Entering Link 1 = /ghome/chihiro/gaussian/g09-d.01/l1.exe PID=     12441.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 09 program.  It is based on
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 09, Revision D.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
 
 ******************************************
 Gaussian 09:  EM64L-G09RevD.01 24-Apr-2013
                 8-Aug-2018 
 ******************************************
 %Chk=H2O-RHF-mini
 %NprocShared=2
 Will use up to    2 processors via shared memory.
 ----------------------------------------------------------------------
 #P RHF/Gen Guess=Core 6D 10F SCF(Conventional) # Gfinput IOp(6/7=3,3/3
 3=6) # ExtraLinks=L316 Symmetry=None # Units(Ang,Deg)
 ----------------------------------------------------------------------
 1/38=1/1;
 2/12=2,15=3,17=6,18=5,40=1/2;
 3/5=7,8=22,11=1,16=1,24=10,25=20,28=1,30=1,33=6,116=1/1,2,3,20,16;
 4/5=2/1;
 5/5=1/2;
 6/7=3,8=2,9=2,10=2,28=1/1;
 99/5=1,9=1/99;
 Leave Link    1 at Wed Aug  8 02:50:22 2018, MaxMem=           0 cpu:         0.1
 (Enter /ghome/chihiro/gaussian/g09-d.01/l101.exe)
 ----------------------
 water w/ all electrons
 ----------------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 O                     0.        0.        0.1173 
 H                     0.        0.7572   -0.4692 
 H                     0.       -0.7572   -0.4692 
 
 NAtoms=      3 NQM=        3 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3
 IAtWgt=          16           1           1
 AtmWgt=  15.9949146   1.0078250   1.0078250
 NucSpn=           0           1           1
 AtZEff=   0.0000000   0.0000000   0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460
 AtZNuc=   8.0000000   1.0000000   1.0000000
 Leave Link  101 at Wed Aug  8 02:50:22 2018, MaxMem=    33554432 cpu:         0.1
 (Enter /ghome/chihiro/gaussian/g09-d.01/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        0.000000    0.000000    0.117300
      2          1           0        0.000000    0.757200   -0.469200
      3          1           0        0.000000   -0.757200   -0.469200
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3
     1  O    0.000000
     2  H    0.957776   0.000000
     3  H    0.957776   1.514400   0.000000
 Symmetry turned off by external request.
 Stoichiometry    H2O
 Rotational constants (GHZ):    820.7510136    437.3013788    285.2945967
 Leave Link  202 at Wed Aug  8 02:50:22 2018, MaxMem=    33554432 cpu:         0.0
 (Enter /ghome/chihiro/gaussian/g09-d.01/l301.exe)
 General basis read from cards:  (6D, 10F)
                         Coordinates in L301:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        0.000000    0.000000    0.117300
      2          1           0        0.000000    0.757200   -0.469200
      3          1           0        0.000000   -0.757200   -0.469200
 ---------------------------------------------------------------------
 Centers:       2      3
 S 3 1.00
     Exponent=  4.5018000000D+00 Coefficients=  7.0452000000D-02
     Exponent=  6.8144400000D-01 Coefficients=  4.0782600000D-01
     Exponent=  1.5139800000D-01 Coefficients=  6.4775200000D-01
 ****
 Centers:       1
 S 3 1.00
     Exponent=  2.8186658000D+02 Coefficients=  6.9060000000D-02
     Exponent=  4.2416000000D+01 Coefficients=  3.9315900000D-01
     Exponent=  9.0956200000D+00 Coefficients=  6.6566900000D-01
 S 3 1.00
     Exponent=  1.1466030000D+01 Coefficients= -8.0820000000D-02
     Exponent=  8.8786000000D-01 Coefficients=  5.8209000000D-01
     Exponent=  2.7880000000D-01 Coefficients=  4.9716000000D-01
 P 3 1.00
     Exponent=  8.0472400000D+00 Coefficients=  1.2427100000D-01
     Exponent=  1.6684200000D+00 Coefficients=  4.7659400000D-01
     Exponent=  3.7251000000D-01 Coefficients=  6.1304400000D-01
 ****
 FixB: optimizing general contractions.
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 IA=     1 ShT= 0 ShC= 0 NL=   2 NS=   0.
         I=   1 JX=   1 NP=   3
         I=   2 JX=   2 NP=   3
 IA=     1 L=0 SC=0 ISt=    1 NBk=    2 NP=    6 IndPr=    0.
 DoElim1:  L=0 select primitive    1 from    2 using    1 C= 6.91D-02
 DoElim2:  L=0 select primitive    5 from    1 using    2 C= 5.82D-01
 Delete L=0 primitive    4 from    2 C=  0.00D+00.
 Delete L=0 primitive    2 from    2 C=  0.00D+00.
 Delete L=0 primitive    1 from    2 C=  0.00D+00.
 Delete L=0 primitive    6 from    1 C=  0.00D+00.
 Delete L=0 primitive    5 from    1 C=  0.00D+00.
 Delete L=0 primitive    3 from    1 C=  0.00D+00.
 IA=     1 L=0 SC=0 ISt=    0 NBk=    0 NP=    0 IndPr=    6.
 IA=     1 ShT= 1 ShC= 1 NL=   1 NS=   0.
         I=   1 JX=   3 NP=   3
 IA=     1 L=1 SC=1 ISt=    0 NBk=    0 NP=    0 IndPr=    0.
 IA=     2 ShT= 0 ShC= 0 NL=   1 NS=   0.
         I=   1 JX=   3 NP=   3
 IA=     2 L=0 SC=0 ISt=    0 NBk=    0 NP=    0 IndPr=    0.
 IA=     3 ShT= 0 ShC= 0 NL=   1 NS=   0.
         I=   1 JX=   3 NP=   3
 IA=     3 L=0 SC=0 ISt=    0 NBk=    0 NP=    0 IndPr=    0.
 Electric field displacement of shell     1 is  0.00D+00
 Electric field displacement of shell     2 is  0.00D+00
 Electric field displacement of shell     3 is  0.00D+00
 Electric field displacement of shell     4 is  0.00D+00
 Electric field displacement of shell     5 is  0.00D+00
 AO basis set in the form of general basis input (Overlap normalization):
      1 0
 S   3 1.00       0.000000000000
      0.2818665800D+03  0.6906002911D-01
      0.4241600000D+02  0.3931591657D+00
      0.9095620000D+01  0.6656692806D+00
 S   3 1.00       0.000000000000
      0.1146603000D+02 -0.8081992953D-01
      0.8878600000D+00  0.5820894924D+00
      0.2788000000D+00  0.4971595665D+00
 P   3 1.00       0.000000000000
      0.8047240000D+01  0.1242709885D+00
      0.1668420000D+01  0.4765939559D+00
      0.3725100000D+00  0.6130439433D+00
 ****
      2 0
 S   3 1.00       0.000000000000
      0.4501800000D+01  0.7045200332D-01
      0.6814440000D+00  0.4078260192D+00
      0.1513980000D+00  0.6477520306D+00
 ****
      3 0
 S   3 1.00       0.000000000000
      0.4501800000D+01  0.7045200332D-01
      0.6814440000D+00  0.4078260192D+00
      0.1513980000D+00  0.6477520306D+00
 ****

 LdAtmC:  AtmChg=     8.000000     1.000000     1.000000
 AtZEff=     -5.6000000     -1.0000000     -1.0000000
     7 basis functions,    21 primitive gaussians,     7 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy         9.1895337225 Hartrees.
 IS=     1 IAt=     1 ISR=     1 T=0 IP=      1 IndIP=      1 IndIPD=      0 C=  3.385864D+00  0.000000D+00                             NZ=T
 IS=     1 IAt=     1 ISR=     1 T=0 IP=      2 IndIP=      2 IndIPD=      1 C=  4.657210D+00  0.000000D+00                             NZ=T
 IS=     1 IAt=     1 ISR=     1 T=0 IP=      3 IndIP=      3 IndIPD=      2 C=  2.484808D+00  0.000000D+00                             NZ=T
 IS=     2 IAt=     1 ISR=     2 T=0 IP=      1 IndIP=      4 IndIPD=      0 C= -3.589123D-01  0.000000D+00                             NZ=T
 IS=     2 IAt=     1 ISR=     2 T=0 IP=      2 IndIP=      5 IndIPD=      1 C=  3.794532D-01  0.000000D+00                             NZ=T
 IS=     2 IAt=     1 ISR=     2 T=0 IP=      3 IndIP=      6 IndIPD=      2 C=  1.359488D-01  0.000000D+00                             NZ=T
 IS=     3 IAt=     1 ISR=     3 T=1 IP=      1 IndIP=      7 IndIPD=      0 C=  0.000000D+00  2.400869D+00                             NZ=T
 IS=     3 IAt=     1 ISR=     3 T=1 IP=      2 IndIP=      8 IndIPD=      1 C=  0.000000D+00  1.288162D+00                             NZ=T
 IS=     3 IAt=     1 ISR=     3 T=1 IP=      3 IndIP=      9 IndIPD=      2 C=  0.000000D+00  2.543045D-01                             NZ=T
 IS=     4 IAt=     2 ISR=     1 T=0 IP=      1 IndIP=     10 IndIPD=      0 C=  1.551826D-01  0.000000D+00                             NZ=T
 IS=     4 IAt=     2 ISR=     1 T=0 IP=      2 IndIP=     11 IndIPD=      1 C=  2.180006D-01  0.000000D+00                             NZ=T
 IS=     4 IAt=     2 ISR=     1 T=0 IP=      3 IndIP=     12 IndIPD=      2 C=  1.120493D-01  0.000000D+00                             NZ=T
 IS=     5 IAt=     3 ISR=     1 T=0 IP=      1 IndIP=     13 IndIPD=      0 C=  1.551826D-01  0.000000D+00                             NZ=T
 IS=     5 IAt=     3 ISR=     1 T=0 IP=      2 IndIP=     14 IndIPD=      1 C=  2.180006D-01  0.000000D+00                             NZ=T
 IS=     5 IAt=     3 ISR=     1 T=0 IP=      3 IndIP=     15 IndIPD=      2 C=  1.120493D-01  0.000000D+00                             NZ=T
 IExCor=    0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 NAtoms=    3 NActive=    3 NUniq=    3 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 1 integral format.
 Two-electron integral symmetry is turned off.
 Pair potential:
 Leave Link  301 at Wed Aug  8 02:50:22 2018, MaxMem=    33554432 cpu:         0.1
 (Enter /ghome/chihiro/gaussian/g09-d.01/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 Entering OneElI...
 OneElI was handed    33554338 working-precision words.
 Calculate overlap and kinetic energy integrals
    NBasis =   7  MinDer = 0  MaxDer = 0
 Requested accuracy = 0.1000D-12
 ShPair: Thresh= 1.00D-13 NBox=     0 BxSize= 0.00D+00 RnKept= 2.86D+00
         NSMCal=                   15 NSMKep=                  15
  NShlT=       6 NTypes=       3  LenT1=      15  LenC1=       7
  LenT2=       5  LenN2=      92  LenC2=      17 LenP2D=     136
 LenP2C=     136
 IType=       1 ShlT= 0 ShlC= 0 T1C1St=       1
   ISh=       1 C1NPrm=   3 C1ESt=       1 C1CSt=       1
     C1SMap=       1 C1AOS=       1 C1Cent=     1
     CentXYZ=      0.000000      0.000000      0.221665
     IPrm=       1 P1Exp= 2.82D+02 P1CMax= 3.39D+00
     IPrm=       2 P1Exp= 4.24D+01 P1CMax= 4.66D+00
     IPrm=       3 P1Exp= 9.10D+00 P1CMax= 2.48D+00
   ISh=       2 C1NPrm=   3 C1ESt=       4 C1CSt=       4
     C1SMap=       2 C1AOS=       2 C1Cent=     1
     CentXYZ=      0.000000      0.000000      0.221665
     IPrm=       4 P1Exp= 1.15D+01 P1CMax= 3.59D-01
     IPrm=       5 P1Exp= 8.88D-01 P1CMax= 3.79D-01
     IPrm=       6 P1Exp= 2.79D-01 P1CMax= 1.36D-01
   ISh=       3 C1NPrm=   3 C1ESt=       7 C1CSt=       7
     C1SMap=       4 C1AOS=       6 C1Cent=     2
     CentXYZ=      0.000000      1.430901     -0.886660
     IPrm=       7 P1Exp= 4.50D+00 P1CMax= 1.55D-01
     IPrm=       8 P1Exp= 6.81D-01 P1CMax= 2.18D-01
     IPrm=       9 P1Exp= 1.51D-01 P1CMax= 1.12D-01
   ISh=       4 C1NPrm=   3 C1ESt=      10 C1CSt=      10
     C1SMap=       5 C1AOS=       7 C1Cent=     3
     CentXYZ=      0.000000     -1.430901     -0.886660
     IPrm=      10 P1Exp= 4.50D+00 P1CMax= 1.55D-01
     IPrm=      11 P1Exp= 6.81D-01 P1CMax= 2.18D-01
     IPrm=      12 P1Exp= 1.51D-01 P1CMax= 1.12D-01
 IType=       2 ShlT= 1 ShlC= 1 T1C1St=       5
   ISh=       5 C1NPrm=   3 C1ESt=      13 C1CSt=      13
     C1SMap=       3 C1AOS=       3 C1Cent=     1
     CentXYZ=      0.000000      0.000000      0.221665
     IPrm=      13 P1Exp= 8.05D+00 P1CMax= 2.40D+00
     IPrm=      14 P1Exp= 1.67D+00 P1CMax= 1.29D+00
     IPrm=      15 P1Exp= 3.73D-01 P1CMax= 2.54D-01
 IType=       3 ShlT= 0 ShlC= 0 T1C1St=       6
   ISh=       6 C1NPrm=   1 C1ESt=      16 C1CSt=      16
     C1SMap=       1 C1AOS=       8 C1Cent=     6
     CentXYZ=      0.000000      0.000000      0.000000
     IPrm=      16 P1Exp= 5.00D-01 P1CMax= 1.00D+00
 IJTC=   1 IType= 1 JType= 1 T2N2St=     1
   IJTN=   1 NPrm=     9     0 C2St=     1 PDSt=     1 PCSt=     1
   IJTN=   2 NPrm=     9     0 C2St=     1 PDSt=     1 PCSt=     1
    IJShl=     1 C2ShlIJ=     1     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.20D+01 0.38D+05
       C2CDif=      0.000000      0.000000      0.000000
       IJP=       1 A= 0.563733D+03 B= 0.563733D+03 U= 0.476929D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       2 A= 0.563733D+03 B= 0.848320D+02 U= 0.150361D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       3 A= 0.563733D+03 B= 0.181912D+02 U= 0.943914D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       4 A= 0.848320D+02 B= 0.563733D+03 U= 0.150361D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       5 A= 0.848320D+02 B= 0.848320D+02 U= 0.154574D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       6 A= 0.848320D+02 B= 0.181912D+02 U= 0.174295D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       7 A= 0.181912D+02 B= 0.563733D+03 U= 0.943914D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       8 A= 0.181912D+02 B= 0.848320D+02 U= 0.174295D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       9 A= 0.181912D+02 B= 0.181912D+02 U= 0.443116D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     2 C2ShlIJ=     2     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.56D+00 0.21D+04
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      10 A= 0.229321D+02 B= 0.563733D+03 U=-0.134692D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      11 A= 0.229321D+02 B= 0.848320D+02 U=-0.235328D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      12 A= 0.229321D+02 B= 0.181912D+02 U=-0.532622D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      13 A= 0.177572D+01 B= 0.563733D+03 U= 0.150466D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      14 A= 0.177572D+01 B= 0.848320D+02 U= 0.345318D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      15 A= 0.177572D+01 B= 0.181912D+02 U= 0.166438D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      16 A= 0.557600D+00 B= 0.563733D+03 U= 0.540830D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      17 A= 0.557600D+00 B= 0.848320D+02 U= 0.126376D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      18 A= 0.557600D+00 B= 0.181912D+02 U= 0.655355D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     3 C2ShlIJ=     2     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.48D+00 0.17D+02
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      19 A= 0.229321D+02 B= 0.229321D+02 U= 0.653186D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      20 A= 0.229321D+02 B= 0.177572D+01 U=-0.174649D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      21 A= 0.229321D+02 B= 0.557600D+00 U=-0.675023D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      22 A= 0.177572D+01 B= 0.229321D+02 U=-0.174649D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      23 A= 0.177572D+01 B= 0.177572D+01 U= 0.338828D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      24 A= 0.177572D+01 B= 0.557600D+00 U= 0.227951D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      25 A= 0.557600D+00 B= 0.229321D+02 U=-0.675023D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      26 A= 0.557600D+00 B= 0.177572D+01 U= 0.227951D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      27 A= 0.557600D+00 B= 0.557600D+00 U= 0.247168D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     4 C2ShlIJ=     3     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.11D+00 0.39D+03
       C2CDif=      0.000000      1.430901     -1.108324
       IJP=      28 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.224942D-01 0.204242D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
       IJP=      29 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.137296D+00 0.115320D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
       IJP=      30 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.473739D+00-0.145276D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
       IJP=      31 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.345102D-02 0.218992D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
       IJP=      32 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.226250D-01 0.204140D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
       IJP=      33 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.997312D-01 0.144417D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
       IJP=      34 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.768162D-03 0.221070D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
       IJP=      35 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.508924D-02 0.217723D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
       IJP=      36 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.234276D-01 0.203519D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
    IJShl=     5 C2ShlIJ=     3     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.19D+00 0.17D+01
       C2CDif=      0.000000      1.430901     -1.108324
       IJP=      37 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.403413D+00-0.908043D-01
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
       IJP=      38 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.119518D+01-0.704081D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
       IJP=      39 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.134745D+01-0.822023D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
       IJP=      40 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.802701D-01 0.159491D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
       IJP=      41 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.621345D+00-0.259606D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
       IJP=      42 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.101545D+01-0.564865D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
       IJP=      43 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.186475D-01 0.207221D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
       IJP=      44 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.208452D+00 0.602054D-01
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
       IJP=      45 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.503572D+00-0.168384D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
    IJShl=     6 C2ShlIJ=     3     3 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.33D+00 0.13D+01
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      46 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      47 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      48 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      49 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      50 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      51 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      52 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      53 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      54 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     7 C2ShlIJ=     4     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.11D+00 0.39D+03
       C2CDif=      0.000000     -1.430901     -1.108324
       IJP=      55 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.224942D-01 0.204242D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
       IJP=      56 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.137296D+00 0.115320D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
       IJP=      57 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.473739D+00-0.145276D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
       IJP=      58 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.345102D-02 0.218992D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
       IJP=      59 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.226250D-01 0.204140D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
       IJP=      60 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.997312D-01 0.144417D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
       IJP=      61 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.768162D-03 0.221070D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
       IJP=      62 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.508924D-02 0.217723D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
       IJP=      63 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.234276D-01 0.203519D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
    IJShl=     8 C2ShlIJ=     4     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.19D+00 0.17D+01
       C2CDif=      0.000000     -1.430901     -1.108324
       IJP=      64 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.403413D+00-0.908043D-01
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
       IJP=      65 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.119518D+01-0.704081D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
       IJP=      66 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.134745D+01-0.822023D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
       IJP=      67 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.802701D-01 0.159491D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
       IJP=      68 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.621345D+00-0.259606D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
       IJP=      69 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.101545D+01-0.564865D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
       IJP=      70 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.186475D-01 0.207221D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
       IJP=      71 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.208452D+00 0.602054D-01
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
       IJP=      72 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.503572D+00-0.168384D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
    IJShl=     9 C2ShlIJ=     4     3 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.18D+00 0.18D+00
       C2CDif=      0.000000     -2.861801      0.000000
       IJP=      73 A= 0.900360D+01 B= 0.900360D+01 U= 0.489458D-10
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
         P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
       IJP=      74 A= 0.900360D+01 B= 0.136289D+01 U= 0.125313D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.105466D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
         P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
       IJP=      75 A= 0.900360D+01 B= 0.302796D+00 U= 0.290652D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.133779D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
         P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
       IJP=      76 A= 0.136289D+01 B= 0.900360D+01 U= 0.125313D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.105466D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
         P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
       IJP=      77 A= 0.136289D+01 B= 0.136289D+01 U= 0.102108D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
         P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
       IJP=      78 A= 0.136289D+01 B= 0.302796D+00 U= 0.648845D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.910669D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
         P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
       IJP=      79 A= 0.302796D+00 B= 0.900360D+01 U= 0.290652D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.133779D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
       IJP=      80 A= 0.302796D+00 B= 0.136289D+01 U= 0.648845D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.910669D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
       IJP=      81 A= 0.302796D+00 B= 0.302796D+00 U= 0.225719D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
    IJShl=    10 C2ShlIJ=     4     4 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.33D+00 0.13D+01
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      82 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      83 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      84 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      85 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      86 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      87 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      88 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      89 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      90 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
 IJTC=   2 IType= 2 JType= 1 T2N2St=     3
   IJTN=   3 NPrm=     9     0 C2St=    11 PDSt=    91 PCSt=    91
   IJTN=   4 NPrm=     9     0 C2St=    11 PDSt=    91 PCSt=    91
    IJShl=    11 C2ShlIJ=     5     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.21D+01 0.14D+05
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      91 A= 0.160945D+02 B= 0.563733D+03 U= 0.158147D-04
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      92 A= 0.160945D+02 B= 0.848320D+02 U= 0.172088D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      93 A= 0.160945D+02 B= 0.181912D+02 U= 0.136505D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      94 A= 0.333684D+01 B= 0.563733D+03 U= 0.897053D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      95 A= 0.333684D+01 B= 0.848320D+02 U= 0.129443D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      96 A= 0.333684D+01 B= 0.181912D+02 U= 0.234434D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      97 A= 0.745020D+00 B= 0.563733D+03 U= 0.179133D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      98 A= 0.745020D+00 B= 0.848320D+02 U= 0.275332D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      99 A= 0.745020D+00 B= 0.181912D+02 U= 0.637795D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=    12 C2ShlIJ=     5     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.11D+01 0.99D+02
       C2CDif=      0.000000      0.000000      0.000000
       IJP=     100 A= 0.160945D+02 B= 0.229321D+02 U=-0.142635D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     101 A= 0.160945D+02 B= 0.177572D+01 U= 0.106285D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     102 A= 0.160945D+02 B= 0.557600D+00 U= 0.454300D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     103 A= 0.333684D+01 B= 0.229321D+02 U=-0.205885D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     104 A= 0.333684D+01 B= 0.177572D+01 U= 0.130257D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     105 A= 0.333684D+01 B= 0.557600D+00 U= 0.921516D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     106 A= 0.745020D+00 B= 0.229321D+02 U=-0.526977D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     107 A= 0.745020D+00 B= 0.177572D+01 U= 0.150648D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     108 A= 0.745020D+00 B= 0.557600D+00 U= 0.281161D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=    13 C2ShlIJ=     5     3 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.30D+00 0.80D+01
       C2CDif=      0.000000     -1.430901      1.108324
       IJP=     109 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.513316D+00-0.175932D+00
         P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
       IJP=     110 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.111710D+00 0.135139D+00
         P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
       IJP=     111 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.264234D-01 0.201198D+00
         P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
       IJP=     112 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.104399D+01-0.586970D+00
         P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
       IJP=     113 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.414951D+00-0.997414D-01
         P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
       IJP=     114 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.119042D+00 0.129459D+00
         P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
       IJP=     115 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.132155D+01-0.801958D+00
         P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
       IJP=     116 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.925162D+00-0.494933D+00
         P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
       IJP=     117 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.413499D+00-0.986167D-01
         P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
    IJShl=    14 C2ShlIJ=     5     4 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.30D+00 0.80D+01
       C2CDif=      0.000000      1.430901      1.108324
       IJP=     118 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.513316D+00-0.175932D+00
         P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
       IJP=     119 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.111710D+00 0.135139D+00
         P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
       IJP=     120 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.264234D-01 0.201198D+00
         P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
       IJP=     121 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.104399D+01-0.586970D+00
         P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
       IJP=     122 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.414951D+00-0.997414D-01
         P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
       IJP=     123 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.119042D+00 0.129459D+00
         P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
       IJP=     124 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.132155D+01-0.801958D+00
         P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
       IJP=     125 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.925162D+00-0.494933D+00
         P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
       IJP=     126 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.413499D+00-0.986167D-01
         P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
 IJTC=   3 IType= 2 JType= 2 T2N2St=     5
   IJTN=   5 NPrm=     9     0 C2St=    15 PDSt=   127 PCSt=   127
   IJTN=   6 NPrm=     9     0 C2St=    15 PDSt=   127 PCSt=   127
    IJShl=    15 C2ShlIJ=     5     5 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.29D+01 0.55D+03
       C2CDif=      0.000000      0.000000      0.000000
       IJP=     127 A= 0.160945D+02 B= 0.160945D+02 U= 0.479769D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     128 A= 0.160945D+02 B= 0.333684D+01 U= 0.150609D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     129 A= 0.160945D+02 B= 0.745020D+00 U= 0.490727D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     130 A= 0.333684D+01 B= 0.160945D+02 U= 0.150609D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     131 A= 0.333684D+01 B= 0.333684D+01 U= 0.340355D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     132 A= 0.333684D+01 B= 0.745020D+00 U= 0.375484D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     133 A= 0.745020D+00 B= 0.160945D+02 U= 0.490727D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     134 A= 0.745020D+00 B= 0.333684D+01 U= 0.375484D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     135 A= 0.745020D+00 B= 0.745020D+00 U= 0.252223D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
 IJTC=   4 IType= 3 JType= 4 T2N2St=     7
   IJTN=   7 NPrm=     1     1 C2St=    16 PDSt=   136 PCSt=   136
    IJShl=    16 C2ShlIJ=     6     6 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     1 C2KMax= 0.14D+02 0.14D+02
       C2CDif=      0.000000      0.000000      0.000000
       IJP=     136 A= 0.100000D+01 B= 0.000000D+00 U= 0.100000D+01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.000000D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
   IJTN=   8 NPrm=     1     1 C2St=    17 PDSt=   137 PCSt=   137
 Overlap and Kinetic Integrals          
 Derivative Range = 0 to 2  Logicals = T F F F F F
 The Identity operator will be used
 PrsmSu:  NPrtUS=   2 ThrOK=T IAlg=1 NPAlg=2 LenDen=           0.
 Prism:   IPart=     0 DynPar=F LinDyn=F Incr=           1.
 PRISM was handed    16774842 working-precision words and    15 shell-pairs
 PRISM will use Minimum- Mop paths
 PRISM was handed    16774842 working-precision words and    15 shell-pairs
 PRISM will use Minimum- Mop paths
 [0] accuracy = 0.10D-12   Chebyshev Delta = 0.12D-02   Critical T = 28.20   # of points =  11979


           Zone         Bra Derivative Range     Ket Derivative Range
           ==========================================================
             1                 0 to 2                   0 to 0
           ==========================================================
 [0] accuracy = 0.10D-12   Chebyshev Delta = 0.12D-02   Critical T = 28.20   # of points =  11979


           Zone         Bra Derivative Range     Ket Derivative Range
           ==========================================================
             1                 0 to 2                   0 to 0
           ==========================================================

                             -------------------
                             The (pp|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    1 Memory=    16767487.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=FFFFTTFFFFFFFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths: 29

                             -------------------
                             The (pp|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    1 Memory=    16767487.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=FFFFTTFFFFFFFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths: 29

    No. of target [m0|n0]   =    35
    No. of locations needed =    36

    No. of target [m0|n0]   =    35
    No. of locations needed =    36

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
      189 99999 99999 99999     0     0     0     0     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
9999999999999999999999999999999999999999    0    0    0    0   90   90   90   90
    0    0    0    0    0    0    0    0    0    0    0    0   90   90   90   90

                   VR1     cost =     349
                   Bra-TRn cost =     516
                   Ket-TRn cost =       0

                   Space needed for drivers          =    8539
                   Space needed for driver formation =   13711

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =       0
                   C38 =       0

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
      189 99999 99999 99999     0     0     0     0     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
9999999999999999999999999999999999999999    0    0    0    0   90   90   90   90
    0    0    0    0    0    0    0    0    0    0    0    0   90   90   90   90

                   VR1     cost =     349
                   Bra-TRn cost =     516
                   Ket-TRn cost =       0

                   Space needed for drivers          =    8539
                   Space needed for driver formation =   13711

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =       0
                   C38 =       0

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    93    54    36     1   0   0   0   0   1   0   0   0   0
 Prsmar:  KBra=    9 KKet=    1 PsmPth=29 Kost=        4485 NPerS4=       712 nW0=       324 nW1=        54 nW2=       324 nW0X=         0 NPS4B=       267 jEnd=      139568 LenV=    16774842 MaxCom=         184

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    93    54    36     1   0   0   0   0   1   0   0   0   0
 Prsmar:  KBra=    9 KKet=    1 PsmPth=29 Kost=        4485 NPerS4=       712 nW0=       324 nW1=        54 nW2=       324 nW0X=         0 NPS4B=       267 jEnd=      139568 LenV=    16774842 MaxCom=         184

                             -------------------
                             The (ps|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    1 Memory=    16772406.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=FFFFTTFFFFFFFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths: 29

    No. of target [m0|n0]   =    20
    No. of locations needed =    21

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       96 99999 99999 99999     0     0     0     0     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
9999999999999999999999999999999999999999    0    0    0    0   30   30   30   30
    0    0    0    0    0    0    0    0    0    0    0    0   30   30   30   30

                   VR1     cost =     174
                   Bra-TRn cost =      80
                   Ket-TRn cost =       0

                   Space needed for drivers          =    2987
                   Space needed for driver formation =    4180

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =       0
                   C38 =       0

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    31    23    21     1   0   0   0   0   0   0   0   0   0
 Prsmar:  KBra=    9 KKet=    1 PsmPth=29 Kost=        2001 NPerS4=       524 nW0=       189 nW1=        23 nW2=       189 nW0X=         0 NPS4B=       230 jEnd=      134065 LenV=    16774842 MaxCom=         250

                             -------------------
                             The (ss|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    1 Memory=    16773843.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=FFFFTTFFFFFFFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths: 29

                             -------------------
                             The (ps|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    1 Memory=    16772406.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=FFFFTTFFFFFFFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths: 29

    No. of target [m0|n0]   =    10
    No. of locations needed =    11

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       39 99999 99999 99999     0     0     0     0     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
9999999999999999999999999999999999999999    0    0    0    0   10   10   10   10
    0    0    0    0    0    0    0    0    0    0    0    0   10   10   10   10

                   VR1     cost =      67
                   Bra-TRn cost =       9
                   Ket-TRn cost =       0

                   Space needed for drivers          =    1225
                   Space needed for driver formation =    1751

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =       0
                   C38 =       0

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    11    11    11     1   0   0   0   0   0   0   0   0   0
 Prsmar:  KBra=    9 KKet=    1 PsmPth=29 Kost=         790 NPerS4=       406 nW0=        99 nW1=        11 nW2=        99 nW0X=         0 NPS4B=       218 jEnd=      132149 LenV=    16774842 MaxCom=         322

    No. of target [m0|n0]   =    20
    No. of locations needed =    21

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       96 99999 99999 99999     0     0     0     0     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
9999999999999999999999999999999999999999    0    0    0    0   30   30   30   30
    0    0    0    0    0    0    0    0    0    0    0    0   30   30   30   30

                   VR1     cost =     174
                   Bra-TRn cost =      80
                   Ket-TRn cost =       0

                   Space needed for drivers          =    2987
                   Space needed for driver formation =    4180

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =       0
                   C38 =       0
 IPart=  1 NShTot=           7 NBatch=           2 AvBLen=         3.5

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    31    23    21     1   0   0   0   0   0   0   0   0   0
 Prsmar:  KBra=    9 KKet=    1 PsmPth=29 Kost=        2001 NPerS4=       524 nW0=       189 nW1=        23 nW2=       189 nW0X=         0 NPS4B=       230 jEnd=      134065 LenV=    16774842 MaxCom=         250

                             -------------------
                             The (ss|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    1 Memory=    16773843.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=FFFFTTFFFFFFFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths: 29

    No. of target [m0|n0]   =    10
    No. of locations needed =    11

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       39 99999 99999 99999     0     0     0     0     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
9999999999999999999999999999999999999999    0    0    0    0   10   10   10   10
    0    0    0    0    0    0    0    0    0    0    0    0   10   10   10   10

                   VR1     cost =      67
                   Bra-TRn cost =       9
                   Ket-TRn cost =       0

                   Space needed for drivers          =    1225
                   Space needed for driver formation =    1751

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =       0
                   C38 =       0

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    11    11    11     1   0   0   0   0   0   0   0   0   0
 Prsmar:  KBra=    9 KKet=    1 PsmPth=29 Kost=         790 NPerS4=       406 nW0=        99 nW1=        11 nW2=        99 nW0X=         0 NPS4B=       218 jEnd=      132149 LenV=    16774842 MaxCom=         322
 IPart=  0 NShTot=           8 NBatch=           3 AvBLen=         2.7
 PrSmSu:  NxtVal=              3.
 *** Overlap *** 
                1             2             3             4             5 
      1  0.100000D+01
      2  0.203047D+00  0.100000D+01
      3  0.000000D+00  0.000000D+00  0.100000D+01
      4  0.000000D+00  0.000000D+00  0.000000D+00  0.100000D+01
      5  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00  0.100000D+01
      6  0.551875D-01  0.524602D+00  0.000000D+00  0.315965D+00 -0.244735D+00
      7  0.551875D-01  0.524602D+00  0.000000D+00 -0.315965D+00 -0.244735D+00
                6             7 
      6  0.100000D+01
      7  0.371763D+00  0.100000D+01
 *** Kinetic Energy *** 
                1             2             3             4             5 
      1  0.295542D+02
      2 -0.930079D+00  0.859772D+00
      3  0.000000D+00  0.000000D+00  0.250867D+01
      4  0.000000D+00  0.000000D+00  0.000000D+00  0.250867D+01
      5  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00  0.250867D+01
      6  0.898662D-03  0.132527D+00  0.000000D+00  0.206390D+00 -0.159862D+00
      7  0.898662D-03  0.132527D+00  0.000000D+00 -0.206390D+00 -0.159862D+00
                6             7 
      6  0.496987D+00
      7  0.362210D-01  0.496987D+00
 Entering OneElI...
 OneElI was handed    33554338 working-precision words.
 Calculate potential energy integrals
    NBasis =   7  MinDer = 0  MaxDer = 0
 Requested accuracy = 0.1000D-12
 ShPair: Thresh= 1.00D-13 NBox=     0 BxSize= 0.00D+00 RnKept= 2.86D+00
         NSMCal=                   15 NSMKep=                  15
  NShlT=       8 NTypes=       3  LenT1=      15  LenC1=       9
  LenT2=       5  LenN2=      92  LenC2=      19 LenP2D=     138
 LenP2C=     138
 IType=       1 ShlT= 0 ShlC= 0 T1C1St=       1
   ISh=       1 C1NPrm=   3 C1ESt=       1 C1CSt=       1
     C1SMap=       1 C1AOS=       1 C1Cent=     1
     CentXYZ=      0.000000      0.000000      0.221665
     IPrm=       1 P1Exp= 2.82D+02 P1CMax= 3.39D+00
     IPrm=       2 P1Exp= 4.24D+01 P1CMax= 4.66D+00
     IPrm=       3 P1Exp= 9.10D+00 P1CMax= 2.48D+00
   ISh=       2 C1NPrm=   3 C1ESt=       4 C1CSt=       4
     C1SMap=       2 C1AOS=       2 C1Cent=     1
     CentXYZ=      0.000000      0.000000      0.221665
     IPrm=       4 P1Exp= 1.15D+01 P1CMax= 3.59D-01
     IPrm=       5 P1Exp= 8.88D-01 P1CMax= 3.79D-01
     IPrm=       6 P1Exp= 2.79D-01 P1CMax= 1.36D-01
   ISh=       3 C1NPrm=   3 C1ESt=       7 C1CSt=       7
     C1SMap=       4 C1AOS=       6 C1Cent=     2
     CentXYZ=      0.000000      1.430901     -0.886660
     IPrm=       7 P1Exp= 4.50D+00 P1CMax= 1.55D-01
     IPrm=       8 P1Exp= 6.81D-01 P1CMax= 2.18D-01
     IPrm=       9 P1Exp= 1.51D-01 P1CMax= 1.12D-01
   ISh=       4 C1NPrm=   3 C1ESt=      10 C1CSt=      10
     C1SMap=       5 C1AOS=       7 C1Cent=     3
     CentXYZ=      0.000000     -1.430901     -0.886660
     IPrm=      10 P1Exp= 4.50D+00 P1CMax= 1.55D-01
     IPrm=      11 P1Exp= 6.81D-01 P1CMax= 2.18D-01
     IPrm=      12 P1Exp= 1.51D-01 P1CMax= 1.12D-01
 IType=       2 ShlT= 1 ShlC= 1 T1C1St=       5
   ISh=       5 C1NPrm=   3 C1ESt=      13 C1CSt=      13
     C1SMap=       3 C1AOS=       3 C1Cent=     1
     CentXYZ=      0.000000      0.000000      0.221665
     IPrm=      13 P1Exp= 8.05D+00 P1CMax= 2.40D+00
     IPrm=      14 P1Exp= 1.67D+00 P1CMax= 1.29D+00
     IPrm=      15 P1Exp= 3.73D-01 P1CMax= 2.54D-01
 IType=       3 ShlT= 0 ShlC= 0 T1C1St=       6
   ISh=       6 C1NPrm=   1 C1ESt=      16 C1CSt=      16
     C1SMap=       1 C1AOS=       1 C1Cent=     1
     CentXYZ=      0.000000      0.000000      0.221665
     IPrm=      16 P1Exp= 1.00D+20 P1CMax= 1.80D+29
   ISh=       7 C1NPrm=   1 C1ESt=      17 C1CSt=      17
     C1SMap=       2 C1AOS=       2 C1Cent=     2
     CentXYZ=      0.000000      1.430901     -0.886660
     IPrm=      17 P1Exp= 1.00D+20 P1CMax= 1.80D+29
   ISh=       8 C1NPrm=   1 C1ESt=      18 C1CSt=      18
     C1SMap=       3 C1AOS=       3 C1Cent=     3
     CentXYZ=      0.000000     -1.430901     -0.886660
     IPrm=      18 P1Exp= 1.00D+20 P1CMax= 1.80D+29
 IJTC=   1 IType= 1 JType= 1 T2N2St=     1
   IJTN=   1 NPrm=     9     0 C2St=     1 PDSt=     1 PCSt=     1
   IJTN=   2 NPrm=     9     0 C2St=     1 PDSt=     1 PCSt=     1
    IJShl=     1 C2ShlIJ=     1     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.10D+01 0.10D+01
       C2CDif=      0.000000      0.000000      0.000000
       IJP=       1 A= 0.563733D+03 B= 0.563733D+03 U= 0.476929D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       2 A= 0.563733D+03 B= 0.848320D+02 U= 0.150361D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       3 A= 0.563733D+03 B= 0.181912D+02 U= 0.943914D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       4 A= 0.848320D+02 B= 0.563733D+03 U= 0.150361D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       5 A= 0.848320D+02 B= 0.848320D+02 U= 0.154574D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       6 A= 0.848320D+02 B= 0.181912D+02 U= 0.174295D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       7 A= 0.181912D+02 B= 0.563733D+03 U= 0.943914D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       8 A= 0.181912D+02 B= 0.848320D+02 U= 0.174295D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       9 A= 0.181912D+02 B= 0.181912D+02 U= 0.443116D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     2 C2ShlIJ=     2     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.28D+00 0.28D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      10 A= 0.229321D+02 B= 0.563733D+03 U=-0.134692D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      11 A= 0.229321D+02 B= 0.848320D+02 U=-0.235328D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      12 A= 0.229321D+02 B= 0.181912D+02 U=-0.532622D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      13 A= 0.177572D+01 B= 0.563733D+03 U= 0.150466D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      14 A= 0.177572D+01 B= 0.848320D+02 U= 0.345318D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      15 A= 0.177572D+01 B= 0.181912D+02 U= 0.166438D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      16 A= 0.557600D+00 B= 0.563733D+03 U= 0.540830D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      17 A= 0.557600D+00 B= 0.848320D+02 U= 0.126376D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      18 A= 0.557600D+00 B= 0.181912D+02 U= 0.655355D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     3 C2ShlIJ=     2     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.24D+00 0.24D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      19 A= 0.229321D+02 B= 0.229321D+02 U= 0.653186D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      20 A= 0.229321D+02 B= 0.177572D+01 U=-0.174649D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      21 A= 0.229321D+02 B= 0.557600D+00 U=-0.675023D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      22 A= 0.177572D+01 B= 0.229321D+02 U=-0.174649D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      23 A= 0.177572D+01 B= 0.177572D+01 U= 0.338828D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      24 A= 0.177572D+01 B= 0.557600D+00 U= 0.227951D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      25 A= 0.557600D+00 B= 0.229321D+02 U=-0.675023D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      26 A= 0.557600D+00 B= 0.177572D+01 U= 0.227951D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      27 A= 0.557600D+00 B= 0.557600D+00 U= 0.247168D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     4 C2ShlIJ=     3     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.55D-01 0.55D-01
       C2CDif=      0.000000      1.430901     -1.108324
       IJP=      28 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.224942D-01 0.204242D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
       IJP=      29 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.137296D+00 0.115320D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
       IJP=      30 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.473739D+00-0.145276D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
       IJP=      31 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.345102D-02 0.218992D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
       IJP=      32 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.226250D-01 0.204140D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
       IJP=      33 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.997312D-01 0.144417D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
       IJP=      34 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.768162D-03 0.221070D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
       IJP=      35 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.508924D-02 0.217723D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
       IJP=      36 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.234276D-01 0.203519D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
    IJShl=     5 C2ShlIJ=     3     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.79D-01 0.79D-01
       C2CDif=      0.000000      1.430901     -1.108324
       IJP=      37 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.403413D+00-0.908043D-01
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
       IJP=      38 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.119518D+01-0.704081D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
       IJP=      39 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.134745D+01-0.822023D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
       IJP=      40 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.802701D-01 0.159491D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
       IJP=      41 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.621345D+00-0.259606D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
       IJP=      42 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.101545D+01-0.564865D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
       IJP=      43 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.186475D-01 0.207221D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
       IJP=      44 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.208452D+00 0.602054D-01
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
       IJP=      45 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.503572D+00-0.168384D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
    IJShl=     6 C2ShlIJ=     3     3 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.12D+00 0.12D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      46 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      47 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      48 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      49 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      50 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      51 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      52 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      53 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      54 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     7 C2ShlIJ=     4     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.55D-01 0.55D-01
       C2CDif=      0.000000     -1.430901     -1.108324
       IJP=      55 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.224942D-01 0.204242D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
       IJP=      56 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.137296D+00 0.115320D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
       IJP=      57 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.473739D+00-0.145276D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
       IJP=      58 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.345102D-02 0.218992D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
       IJP=      59 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.226250D-01 0.204140D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
       IJP=      60 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.997312D-01 0.144417D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
       IJP=      61 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.768162D-03 0.221070D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
       IJP=      62 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.508924D-02 0.217723D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
       IJP=      63 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.234276D-01 0.203519D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
    IJShl=     8 C2ShlIJ=     4     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.79D-01 0.79D-01
       C2CDif=      0.000000     -1.430901     -1.108324
       IJP=      64 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.403413D+00-0.908043D-01
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
       IJP=      65 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.119518D+01-0.704081D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
       IJP=      66 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.134745D+01-0.822023D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
       IJP=      67 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.802701D-01 0.159491D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
       IJP=      68 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.621345D+00-0.259606D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
       IJP=      69 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.101545D+01-0.564865D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
       IJP=      70 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.186475D-01 0.207221D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
       IJP=      71 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.208452D+00 0.602054D-01
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
       IJP=      72 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.503572D+00-0.168384D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
    IJShl=     9 C2ShlIJ=     4     3 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.66D-01 0.66D-01
       C2CDif=      0.000000     -2.861801      0.000000
       IJP=      73 A= 0.900360D+01 B= 0.900360D+01 U= 0.489458D-10
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
         P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
       IJP=      74 A= 0.900360D+01 B= 0.136289D+01 U= 0.125313D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.105466D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
         P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
       IJP=      75 A= 0.900360D+01 B= 0.302796D+00 U= 0.290652D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.133779D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
         P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
       IJP=      76 A= 0.136289D+01 B= 0.900360D+01 U= 0.125313D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.105466D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
         P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
       IJP=      77 A= 0.136289D+01 B= 0.136289D+01 U= 0.102108D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
         P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
       IJP=      78 A= 0.136289D+01 B= 0.302796D+00 U= 0.648845D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.910669D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
         P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
       IJP=      79 A= 0.302796D+00 B= 0.900360D+01 U= 0.290652D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.133779D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
       IJP=      80 A= 0.302796D+00 B= 0.136289D+01 U= 0.648845D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.910669D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
       IJP=      81 A= 0.302796D+00 B= 0.302796D+00 U= 0.225719D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
    IJShl=    10 C2ShlIJ=     4     4 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.12D+00 0.12D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      82 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      83 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      84 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      85 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      86 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      87 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      88 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      89 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      90 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
 IJTC=   2 IType= 2 JType= 1 T2N2St=     3
   IJTN=   3 NPrm=     9     0 C2St=    11 PDSt=    91 PCSt=    91
   IJTN=   4 NPrm=     9     0 C2St=    11 PDSt=    91 PCSt=    91
    IJShl=    11 C2ShlIJ=     5     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.51D-01 0.51D-01
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      91 A= 0.160945D+02 B= 0.563733D+03 U= 0.158147D-04
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      92 A= 0.160945D+02 B= 0.848320D+02 U= 0.172088D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      93 A= 0.160945D+02 B= 0.181912D+02 U= 0.136505D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      94 A= 0.333684D+01 B= 0.563733D+03 U= 0.897053D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      95 A= 0.333684D+01 B= 0.848320D+02 U= 0.129443D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      96 A= 0.333684D+01 B= 0.181912D+02 U= 0.234434D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      97 A= 0.745020D+00 B= 0.563733D+03 U= 0.179133D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      98 A= 0.745020D+00 B= 0.848320D+02 U= 0.275332D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      99 A= 0.745020D+00 B= 0.181912D+02 U= 0.637795D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=    12 C2ShlIJ=     5     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.67D-01 0.67D-01
       C2CDif=      0.000000      0.000000      0.000000
       IJP=     100 A= 0.160945D+02 B= 0.229321D+02 U=-0.142635D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     101 A= 0.160945D+02 B= 0.177572D+01 U= 0.106285D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     102 A= 0.160945D+02 B= 0.557600D+00 U= 0.454300D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     103 A= 0.333684D+01 B= 0.229321D+02 U=-0.205885D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     104 A= 0.333684D+01 B= 0.177572D+01 U= 0.130257D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     105 A= 0.333684D+01 B= 0.557600D+00 U= 0.921516D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     106 A= 0.745020D+00 B= 0.229321D+02 U=-0.526977D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     107 A= 0.745020D+00 B= 0.177572D+01 U= 0.150648D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     108 A= 0.745020D+00 B= 0.557600D+00 U= 0.281161D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=    13 C2ShlIJ=     5     3 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.86D-01 0.86D-01
       C2CDif=      0.000000     -1.430901      1.108324
       IJP=     109 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.513316D+00-0.175932D+00
         P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
       IJP=     110 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.111710D+00 0.135139D+00
         P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
       IJP=     111 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.264234D-01 0.201198D+00
         P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
       IJP=     112 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.104399D+01-0.586970D+00
         P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
       IJP=     113 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.414951D+00-0.997414D-01
         P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
       IJP=     114 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.119042D+00 0.129459D+00
         P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
       IJP=     115 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.132155D+01-0.801958D+00
         P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
       IJP=     116 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.925162D+00-0.494933D+00
         P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
       IJP=     117 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.413499D+00-0.986167D-01
         P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
    IJShl=    14 C2ShlIJ=     5     4 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.86D-01 0.86D-01
       C2CDif=      0.000000      1.430901      1.108324
       IJP=     118 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.513316D+00-0.175932D+00
         P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
       IJP=     119 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.111710D+00 0.135139D+00
         P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
       IJP=     120 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.264234D-01 0.201198D+00
         P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
       IJP=     121 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.104399D+01-0.586970D+00
         P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
       IJP=     122 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.414951D+00-0.997414D-01
         P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
       IJP=     123 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.119042D+00 0.129459D+00
         P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
       IJP=     124 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.132155D+01-0.801958D+00
         P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
       IJP=     125 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.925162D+00-0.494933D+00
         P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
       IJP=     126 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.413499D+00-0.986167D-01
         P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
 IJTC=   3 IType= 2 JType= 2 T2N2St=     5
   IJTN=   5 NPrm=     9     0 C2St=    15 PDSt=   127 PCSt=   127
   IJTN=   6 NPrm=     9     0 C2St=    15 PDSt=   127 PCSt=   127
    IJShl=    15 C2ShlIJ=     5     5 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.22D+00 0.22D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=     127 A= 0.160945D+02 B= 0.160945D+02 U= 0.479769D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     128 A= 0.160945D+02 B= 0.333684D+01 U= 0.150609D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     129 A= 0.160945D+02 B= 0.745020D+00 U= 0.490727D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     130 A= 0.333684D+01 B= 0.160945D+02 U= 0.150609D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     131 A= 0.333684D+01 B= 0.333684D+01 U= 0.340355D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     132 A= 0.333684D+01 B= 0.745020D+00 U= 0.375484D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     133 A= 0.745020D+00 B= 0.160945D+02 U= 0.490727D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     134 A= 0.745020D+00 B= 0.333684D+01 U= 0.375484D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     135 A= 0.745020D+00 B= 0.745020D+00 U= 0.252223D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
 IJTC=   4 IType= 3 JType= 4 T2N2St=     7
   IJTN=   7 NPrm=     1     1 C2St=    16 PDSt=   136 PCSt=   136
    IJShl=    16 C2ShlIJ=     6     6 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     1 C2KMax= 0.00D+00 0.00D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=     136 A= 0.000000D+00 B= 0.000000D+00 U= 0.100000D+01
                    C= 0.927953D-02
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=    17 C2ShlIJ=     7     7 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     1 C2KMax= 0.00D+00 0.00D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=     137 A= 0.000000D+00 B= 0.000000D+00 U= 0.100000D+01
                    C= 0.243171D-01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=    18 C2ShlIJ=     8     8 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     1 C2KMax= 0.00D+00 0.00D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=     138 A= 0.000000D+00 B= 0.000000D+00 U= 0.100000D+01
                    C= 0.176832D-02
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
   IJTN=   8 NPrm=     1     1 C2St=    19 PDSt=   139 PCSt=   139
 Nuclear Attraction Integrals           
 The Coulomb operator will be used
 PrsmSu:  NPrtUS=   2 ThrOK=T IAlg=1 NPAlg=2 LenDen=           0.
 Prism:   IPart=     0 DynPar=F LinDyn=F Incr=           1.
 PRISM was handed    16774800 working-precision words and    15 shell-pairs
 PRISM will use Minimum- Mop paths
 PRISM was handed    16774800 working-precision words and    15 shell-pairs
 PRISM will use Minimum- Mop paths
 [0] accuracy = 0.10D-12   Chebyshev Delta = 0.12D-02   Critical T = 28.20   # of points =  11979


           Zone         Bra Derivative Range     Ket Derivative Range
           ==========================================================
             1                 0 to 0                   0 to 0
           ==========================================================
 [0] accuracy = 0.10D-12   Chebyshev Delta = 0.12D-02   Critical T = 28.20   # of points =  11979


           Zone         Bra Derivative Range     Ket Derivative Range
           ==========================================================
             1                 0 to 0                   0 to 0
           ==========================================================

                             -------------------
                             The (pp|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    1 Memory=    16677690.
 After MaxDer, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  1  4  5 29

                             -------------------
                             The (pp|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    1 Memory=    16677690.
 After MaxDer, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  1  4  5 29

    No. of target [m0|n0]   =     9
    No. of locations needed =    10

    No. of target [m0|n0]   =     9
    No. of locations needed =    10

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       39    93 99999 99999    90    87    90    87     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
   10    0    0    0   14   10   14   14    9    9    9    9    9    9    9    9
  -10    0    0    0  -14  -10  -14  -14   -9   -9   -9   -9   -9   -9   -9   -9

                   VR1     cost =      67
                   Bra-TRn cost =      27
                   Ket-TRn cost =       0

                   Space needed for drivers          =    2015
                   Space needed for driver formation =    2310

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =      40
                   C38 =      56

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       39    93 99999 99999    90    87    90    87     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
   10    0    0    0   14   10   14   14    9    9    9    9    9    9    9    9
  -10    0    0    0  -14  -10  -14  -14   -9   -9   -9   -9   -9   -9   -9   -9

                   VR1     cost =      67
                   Bra-TRn cost =      27
                   Ket-TRn cost =       0

                   Space needed for drivers          =    2015
                   Space needed for driver formation =    2310

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =      40
                   C38 =      56

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    16    17     3     0   1   0   0   0   1   0   1   0   0
 Prsmar:  KBra=    9 KKet=    1 PsmPth= 1 Kost=         308 NPerS4=       264 nW0=        27 nW1=        17 nW2=        27 nW0X=         9 NPS4B=       158 jEnd=      228874 LenV=    16774800 MaxCom=         496

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    16    17     3     0   1   0   0   0   1   0   1   0   0
 Prsmar:  KBra=    9 KKet=    1 PsmPth= 1 Kost=         308 NPerS4=       264 nW0=        27 nW1=        17 nW2=        27 nW0X=         9 NPS4B=       158 jEnd=      228874 LenV=    16774800 MaxCom=         496

                             -------------------
                             The (ps|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    1 Memory=    16678637.
 After MaxDer, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  1  4  5 29

    No. of target [m0|n0]   =     3
    No. of locations needed =     4

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
        7    15 99999 99999    12    12    12    12     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
    3    0    0    0    4    4    4    4    3    3    3    3    3    3    3    3
   -3    0    0    0   -4   -4   -4   -4   -3   -3   -3   -3   -3   -3   -3   -3

                   VR1     cost =      15
                   Bra-TRn cost =       0
                   Ket-TRn cost =       0

                   Space needed for drivers          =     548
                   Space needed for driver formation =     590

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =      16
                   C38 =      16

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     4     5     2     0   1   0   0   0   1   0   1   0   0
 Prsmar:  KBra=    9 KKet=    1 PsmPth= 1 Kost=          65 NPerS4=       172 nW0=        18 nW1=         5 nW2=        18 nW0X=         3 NPS4B=        92 jEnd=      227530 LenV=    16774800 MaxCom=         762

                             -------------------
                             The (ps|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    1 Memory=    16678637.
 After MaxDer, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  1  4  5 29

    No. of target [m0|n0]   =     3
    No. of locations needed =     4

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
        7    15 99999 99999    12    12    12    12     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
    3    0    0    0    4    4    4    4    3    3    3    3    3    3    3    3
   -3    0    0    0   -4   -4   -4   -4   -3   -3   -3   -3   -3   -3   -3   -3

                   VR1     cost =      15
                   Bra-TRn cost =       0
                   Ket-TRn cost =       0

                   Space needed for drivers          =     548
                   Space needed for driver formation =     590

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =      16
                   C38 =      16

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     4     5     2     0   1   0   0   0   1   0   1   0   0
 Prsmar:  KBra=    9 KKet=    1 PsmPth= 1 Kost=          65 NPerS4=       172 nW0=        18 nW1=         5 nW2=        18 nW0X=         3 NPS4B=        92 jEnd=      227530 LenV=    16774800 MaxCom=         762

                             -------------------
                             The (ss|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    1 Memory=    16726796.
 After MaxDer, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  1  4  5 29

    No. of target [m0|n0]   =     1
    No. of locations needed =     1

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
        0     0 99999 99999     0     0     0     0     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
    1    0    0    0    1    1    1    1    1    1    1    1    1    1    1    1
   -1    0    0    0   -1   -1   -1   -1   -1   -1   -1   -1   -1   -1   -1   -1

                   VR1     cost =       0
                   Bra-TRn cost =       0
                   Ket-TRn cost =       0

                   Space needed for drivers          =     162
                   Space needed for driver formation =     163

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =       4
                   C38 =       4

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     1     1     1     0   1   0   0   0   1   0   1   0   0
 Prsmar:  KBra=    9 KKet=    1 PsmPth= 1 Kost=          12 NPerS4=       124 nW0=         9 nW1=         1 nW2=         9 nW0X=         1 NPS4B=        70 jEnd=      179162 LenV=    16774800 MaxCom=        1057
 IPart=  1 NShTot=          21 NBatch=           7 AvBLen=         3.0

                             -------------------
                             The (ss|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    1 Memory=    16726796.
 After MaxDer, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  1  4  5 29

    No. of target [m0|n0]   =     1
    No. of locations needed =     1

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
        0     0 99999 99999     0     0     0     0     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
    1    0    0    0    1    1    1    1    1    1    1    1    1    1    1    1
   -1    0    0    0   -1   -1   -1   -1   -1   -1   -1   -1   -1   -1   -1   -1

                   VR1     cost =       0
                   Bra-TRn cost =       0
                   Ket-TRn cost =       0

                   Space needed for drivers          =     162
                   Space needed for driver formation =     163

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =       4
                   C38 =       4

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     1     1     1     0   1   0   0   0   1   0   1   0   0
 Prsmar:  KBra=    9 KKet=    1 PsmPth= 1 Kost=          12 NPerS4=       124 nW0=         9 nW1=         1 nW2=         9 nW0X=         1 NPS4B=        70 jEnd=      179162 LenV=    16774800 MaxCom=        1057
 IPart=  0 NShTot=          24 NBatch=           8 AvBLen=         3.0
 PrSmSu:  NxtVal=              3.
 ***** Potential Energy ***** 
                1             2             3             4             5 
      1  0.624195D+02
      2  0.594224D+01  0.100301D+02
      3  0.000000D+00  0.000000D+00  0.982969D+01
      4  0.000000D+00  0.000000D+00  0.000000D+00  0.999142D+01
      5 -0.174925D-01 -0.221633D+00  0.000000D+00  0.000000D+00  0.992672D+01
      6  0.188120D+01  0.415507D+01  0.000000D+00  0.211820D+01 -0.173549D+01
      7  0.188120D+01  0.415507D+01  0.000000D+00 -0.211820D+01 -0.173549D+01
                6             7 
      6  0.543186D+01
      7  0.221251D+01  0.543186D+01
 ****** Core Hamiltonian ****** 
                1             2             3             4             5 
      1 -0.328653D+02
      2 -0.687232D+01 -0.917034D+01
      3  0.000000D+00  0.000000D+00 -0.732101D+01
      4  0.000000D+00  0.000000D+00  0.000000D+00 -0.748274D+01
      5  0.174925D-01  0.221633D+00  0.000000D+00  0.000000D+00 -0.741804D+01
      6 -0.188030D+01 -0.402254D+01  0.000000D+00 -0.191181D+01  0.157563D+01
      7 -0.188030D+01 -0.402254D+01  0.000000D+00  0.191181D+01  0.157563D+01
                6             7 
      6 -0.493487D+01
      7 -0.217629D+01 -0.493487D+01
 SSO for IR=          1
                 1             2             3             4             5 
      1   0.100000D+01  0.203047D+00  0.000000D+00  0.000000D+00  0.000000D+00
      2   0.203047D+00  0.100000D+01  0.000000D+00  0.000000D+00  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.100000D+01  0.000000D+00  0.000000D+00
      4   0.000000D+00  0.000000D+00  0.000000D+00  0.100000D+01  0.000000D+00
      5   0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00  0.100000D+01
      6   0.551875D-01  0.524602D+00  0.000000D+00  0.315965D+00 -0.244735D+00
      7   0.551875D-01  0.524602D+00  0.000000D+00 -0.315965D+00 -0.244735D+00
                 6             7 
      1   0.551875D-01  0.551875D-01
      2   0.524602D+00  0.524602D+00
      3   0.000000D+00  0.000000D+00
      4   0.315965D+00 -0.315965D+00
      5  -0.244735D+00 -0.244735D+00
      6   0.100000D+01  0.371763D+00
      7   0.371763D+00  0.100000D+01
 SVDSVc IOpt=  1 IR=1
 SVDSVc V= 2.06D+00 1.30D+00 1.08D+00 1.00D+00 9.08D-01 3.32D-01 3.30D-01
 V for IR=          1
                 1             2             3             4             5 
      1   0.166226D+00  0.000000D+00  0.657163D+00  0.000000D+00  0.720288D+00
      2   0.569756D+00  0.000000D+00  0.304195D+00  0.000000D+00 -0.262431D+00
      3   0.000000D+00  0.000000D+00  0.000000D+00  0.100000D+01  0.000000D+00
      4   0.000000D+00  0.831890D+00  0.000000D+00  0.000000D+00  0.000000D+00
      5  -0.250876D+00  0.000000D+00  0.673450D+00  0.000000D+00 -0.620649D+00
      6   0.540744D+00  0.392402D+00 -0.105042D+00  0.000000D+00 -0.116427D+00
      7   0.540744D+00 -0.392402D+00 -0.105042D+00  0.000000D+00 -0.116427D+00
                 6             7 
      1  -0.147280D+00  0.000000D+00
      2   0.716920D+00  0.000000D+00
      3   0.000000D+00  0.000000D+00
      4   0.000000D+00 -0.554940D+00
      5  -0.313563D+00  0.000000D+00
      6  -0.427792D+00  0.588235D+00
      7  -0.427792D+00 -0.588235D+00
 Vt*S*V: 
                1             2             3             4             5 
      1  0.100000D+01
      2  0.000000D+00  0.100000D+01
      3  0.000000D+00  0.000000D+00  0.100000D+01
      4  0.000000D+00  0.000000D+00  0.000000D+00  0.100000D+01
      5  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00  0.100000D+01
      6  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00
      7  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00
                6             7 
      6  0.100000D+01
      7  0.000000D+00  0.100000D+01
 TstOVc:  Largest diagonal error= 1.11D-15 IB=1 I=    4.
 TstOVc:  Largest same sym error= 9.05D-16 IB=1 I=    6 J=    4.
 Orthogonalized basis functions: 
                 1             2             3             4             5 
      1   0.115956D+00  0.000000D+00  0.633428D+00  0.000000D+00  0.755823D+00
      2   0.397448D+00  0.000000D+00  0.293208D+00  0.000000D+00 -0.275378D+00
      3   0.000000D+00  0.000000D+00  0.000000D+00  0.100000D+01  0.000000D+00
      4   0.000000D+00  0.730155D+00  0.000000D+00  0.000000D+00  0.000000D+00
      5  -0.175005D+00  0.000000D+00  0.649127D+00  0.000000D+00 -0.651268D+00
      6   0.377211D+00  0.344414D+00 -0.101248D+00  0.000000D+00 -0.122171D+00
      7   0.377211D+00 -0.344414D+00 -0.101248D+00  0.000000D+00 -0.122171D+00
                 6             7 
      1  -0.255523D+00  0.000000D+00
      2   0.124382D+01  0.000000D+00
      3   0.000000D+00  0.000000D+00
      4   0.000000D+00 -0.965799D+00
      5  -0.544018D+00  0.000000D+00
      6  -0.742200D+00  0.102374D+01
      7  -0.742200D+00 -0.102374D+01
 NBasis=     7 RedAO= T EigKep=  3.30D-01  NBF=     7
 NBsUse=     7 1.00D-06 EigRej= -1.00D+00 NBFU=     7
 Leave Link  302 at Wed Aug  8 02:50:22 2018, MaxMem=    33554432 cpu:         0.2
 (Enter /ghome/chihiro/gaussian/g09-d.01/l303.exe)
 GetPCM: File not found, return IValue=0.
 DipDrv:  MaxL=1.
 MemDpI: Int=      800000 Cav=           0 CFW=           0 Tot=      800000
 DipPsm:  J= 1 NJ= 4 MaxL=1 MMat= 4 MaxMat= 4.
 DipInt: DoE/N= T F RetVal/Mat= F T Init=T NMatP=  4 IDeriv=0 Min/MaxMlt=  0  1
 Entering OneElI...
 OneElI was handed    33554319 working-precision words.
 Multipole integrals L=0 to 1 MinM= 0 MaxM= 3.
 Requested accuracy = 0.1000D-12
 ShPair: Thresh= 1.00D-13 NBox=     0 BxSize= 0.00D+00 RnKept= 2.86D+00
         NSMCal=                   15 NSMKep=                  15
  NShlT=       6 NTypes=       3  LenT1=      15  LenC1=       7
  LenT2=       5  LenN2=      92  LenC2=      17 LenP2D=     136
 LenP2C=     136
 IType=       1 ShlT= 0 ShlC= 0 T1C1St=       1
   ISh=       1 C1NPrm=   3 C1ESt=       1 C1CSt=       1
     C1SMap=       1 C1AOS=       1 C1Cent=     1
     CentXYZ=      0.000000      0.000000      0.221665
     IPrm=       1 P1Exp= 2.82D+02 P1CMax= 3.39D+00
     IPrm=       2 P1Exp= 4.24D+01 P1CMax= 4.66D+00
     IPrm=       3 P1Exp= 9.10D+00 P1CMax= 2.48D+00
   ISh=       2 C1NPrm=   3 C1ESt=       4 C1CSt=       4
     C1SMap=       2 C1AOS=       2 C1Cent=     1
     CentXYZ=      0.000000      0.000000      0.221665
     IPrm=       4 P1Exp= 1.15D+01 P1CMax= 3.59D-01
     IPrm=       5 P1Exp= 8.88D-01 P1CMax= 3.79D-01
     IPrm=       6 P1Exp= 2.79D-01 P1CMax= 1.36D-01
   ISh=       3 C1NPrm=   3 C1ESt=       7 C1CSt=       7
     C1SMap=       4 C1AOS=       6 C1Cent=     2
     CentXYZ=      0.000000      1.430901     -0.886660
     IPrm=       7 P1Exp= 4.50D+00 P1CMax= 1.55D-01
     IPrm=       8 P1Exp= 6.81D-01 P1CMax= 2.18D-01
     IPrm=       9 P1Exp= 1.51D-01 P1CMax= 1.12D-01
   ISh=       4 C1NPrm=   3 C1ESt=      10 C1CSt=      10
     C1SMap=       5 C1AOS=       7 C1Cent=     3
     CentXYZ=      0.000000     -1.430901     -0.886660
     IPrm=      10 P1Exp= 4.50D+00 P1CMax= 1.55D-01
     IPrm=      11 P1Exp= 6.81D-01 P1CMax= 2.18D-01
     IPrm=      12 P1Exp= 1.51D-01 P1CMax= 1.12D-01
 IType=       2 ShlT= 1 ShlC= 1 T1C1St=       5
   ISh=       5 C1NPrm=   3 C1ESt=      13 C1CSt=      13
     C1SMap=       3 C1AOS=       3 C1Cent=     1
     CentXYZ=      0.000000      0.000000      0.221665
     IPrm=      13 P1Exp= 8.05D+00 P1CMax= 2.40D+00
     IPrm=      14 P1Exp= 1.67D+00 P1CMax= 1.29D+00
     IPrm=      15 P1Exp= 3.73D-01 P1CMax= 2.54D-01
 IType=       3 ShlT= 0 ShlC= 0 T1C1St=       6
   ISh=       6 C1NPrm=   1 C1ESt=      16 C1CSt=      16
     C1SMap=       1 C1AOS=       8 C1Cent=     6
     CentXYZ=      0.000000      0.000000      0.000000
     IPrm=      16 P1Exp= 5.00D-01 P1CMax= 1.00D+00
 IJTC=   1 IType= 1 JType= 1 T2N2St=     1
   IJTN=   1 NPrm=     9     0 C2St=     1 PDSt=     1 PCSt=     1
   IJTN=   2 NPrm=     9     0 C2St=     1 PDSt=     1 PCSt=     1
    IJShl=     1 C2ShlIJ=     1     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.20D+01 0.20D+01
       C2CDif=      0.000000      0.000000      0.000000
       IJP=       1 A= 0.563733D+03 B= 0.563733D+03 U= 0.476929D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       2 A= 0.563733D+03 B= 0.848320D+02 U= 0.150361D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       3 A= 0.563733D+03 B= 0.181912D+02 U= 0.943914D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       4 A= 0.848320D+02 B= 0.563733D+03 U= 0.150361D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       5 A= 0.848320D+02 B= 0.848320D+02 U= 0.154574D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       6 A= 0.848320D+02 B= 0.181912D+02 U= 0.174295D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       7 A= 0.181912D+02 B= 0.563733D+03 U= 0.943914D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       8 A= 0.181912D+02 B= 0.848320D+02 U= 0.174295D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       9 A= 0.181912D+02 B= 0.181912D+02 U= 0.443116D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     2 C2ShlIJ=     2     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.56D+00 0.56D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      10 A= 0.229321D+02 B= 0.563733D+03 U=-0.134692D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      11 A= 0.229321D+02 B= 0.848320D+02 U=-0.235328D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      12 A= 0.229321D+02 B= 0.181912D+02 U=-0.532622D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      13 A= 0.177572D+01 B= 0.563733D+03 U= 0.150466D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      14 A= 0.177572D+01 B= 0.848320D+02 U= 0.345318D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      15 A= 0.177572D+01 B= 0.181912D+02 U= 0.166438D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      16 A= 0.557600D+00 B= 0.563733D+03 U= 0.540830D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      17 A= 0.557600D+00 B= 0.848320D+02 U= 0.126376D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      18 A= 0.557600D+00 B= 0.181912D+02 U= 0.655355D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     3 C2ShlIJ=     2     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.48D+00 0.48D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      19 A= 0.229321D+02 B= 0.229321D+02 U= 0.653186D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      20 A= 0.229321D+02 B= 0.177572D+01 U=-0.174649D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      21 A= 0.229321D+02 B= 0.557600D+00 U=-0.675023D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      22 A= 0.177572D+01 B= 0.229321D+02 U=-0.174649D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      23 A= 0.177572D+01 B= 0.177572D+01 U= 0.338828D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      24 A= 0.177572D+01 B= 0.557600D+00 U= 0.227951D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      25 A= 0.557600D+00 B= 0.229321D+02 U=-0.675023D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      26 A= 0.557600D+00 B= 0.177572D+01 U= 0.227951D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      27 A= 0.557600D+00 B= 0.557600D+00 U= 0.247168D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     4 C2ShlIJ=     3     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.11D+00 0.11D+00
       C2CDif=      0.000000      1.430901     -1.108324
       IJP=      28 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.224942D-01 0.204242D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
       IJP=      29 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.137296D+00 0.115320D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
       IJP=      30 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.473739D+00-0.145276D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
       IJP=      31 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.345102D-02 0.218992D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
       IJP=      32 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.226250D-01 0.204140D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
       IJP=      33 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.997312D-01 0.144417D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
       IJP=      34 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.768162D-03 0.221070D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
       IJP=      35 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.508924D-02 0.217723D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
       IJP=      36 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.234276D-01 0.203519D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
    IJShl=     5 C2ShlIJ=     3     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.19D+00 0.19D+00
       C2CDif=      0.000000      1.430901     -1.108324
       IJP=      37 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.403413D+00-0.908043D-01
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
       IJP=      38 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.119518D+01-0.704081D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
       IJP=      39 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.134745D+01-0.822023D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
       IJP=      40 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.802701D-01 0.159491D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
       IJP=      41 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.621345D+00-0.259606D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
       IJP=      42 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.101545D+01-0.564865D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
       IJP=      43 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.186475D-01 0.207221D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
       IJP=      44 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.208452D+00 0.602054D-01
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
       IJP=      45 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.503572D+00-0.168384D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
    IJShl=     6 C2ShlIJ=     3     3 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.33D+00 0.33D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      46 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      47 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      48 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      49 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      50 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      51 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      52 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      53 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      54 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     7 C2ShlIJ=     4     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.11D+00 0.11D+00
       C2CDif=      0.000000     -1.430901     -1.108324
       IJP=      55 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.224942D-01 0.204242D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
       IJP=      56 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.137296D+00 0.115320D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
       IJP=      57 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.473739D+00-0.145276D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
       IJP=      58 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.345102D-02 0.218992D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
       IJP=      59 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.226250D-01 0.204140D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
       IJP=      60 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.997312D-01 0.144417D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
       IJP=      61 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.768162D-03 0.221070D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
       IJP=      62 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.508924D-02 0.217723D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
       IJP=      63 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.234276D-01 0.203519D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
    IJShl=     8 C2ShlIJ=     4     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.19D+00 0.19D+00
       C2CDif=      0.000000     -1.430901     -1.108324
       IJP=      64 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.403413D+00-0.908043D-01
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
       IJP=      65 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.119518D+01-0.704081D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
       IJP=      66 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.134745D+01-0.822023D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
       IJP=      67 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.802701D-01 0.159491D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
       IJP=      68 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.621345D+00-0.259606D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
       IJP=      69 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.101545D+01-0.564865D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
       IJP=      70 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.186475D-01 0.207221D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
       IJP=      71 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.208452D+00 0.602054D-01
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
       IJP=      72 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.503572D+00-0.168384D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
    IJShl=     9 C2ShlIJ=     4     3 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.18D+00 0.18D+00
       C2CDif=      0.000000     -2.861801      0.000000
       IJP=      73 A= 0.900360D+01 B= 0.900360D+01 U= 0.489458D-10
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
         P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
       IJP=      74 A= 0.900360D+01 B= 0.136289D+01 U= 0.125313D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.105466D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
         P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
       IJP=      75 A= 0.900360D+01 B= 0.302796D+00 U= 0.290652D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.133779D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
         P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
       IJP=      76 A= 0.136289D+01 B= 0.900360D+01 U= 0.125313D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.105466D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
         P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
       IJP=      77 A= 0.136289D+01 B= 0.136289D+01 U= 0.102108D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
         P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
       IJP=      78 A= 0.136289D+01 B= 0.302796D+00 U= 0.648845D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.910669D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
         P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
       IJP=      79 A= 0.302796D+00 B= 0.900360D+01 U= 0.290652D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.133779D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
       IJP=      80 A= 0.302796D+00 B= 0.136289D+01 U= 0.648845D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.910669D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
       IJP=      81 A= 0.302796D+00 B= 0.302796D+00 U= 0.225719D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
    IJShl=    10 C2ShlIJ=     4     4 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.33D+00 0.33D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      82 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      83 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      84 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      85 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      86 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      87 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      88 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      89 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      90 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
 IJTC=   2 IType= 2 JType= 1 T2N2St=     3
   IJTN=   3 NPrm=     9     0 C2St=    11 PDSt=    91 PCSt=    91
   IJTN=   4 NPrm=     9     0 C2St=    11 PDSt=    91 PCSt=    91
    IJShl=    11 C2ShlIJ=     5     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.21D+01 0.21D+01
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      91 A= 0.160945D+02 B= 0.563733D+03 U= 0.158147D-04
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      92 A= 0.160945D+02 B= 0.848320D+02 U= 0.172088D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      93 A= 0.160945D+02 B= 0.181912D+02 U= 0.136505D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      94 A= 0.333684D+01 B= 0.563733D+03 U= 0.897053D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      95 A= 0.333684D+01 B= 0.848320D+02 U= 0.129443D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      96 A= 0.333684D+01 B= 0.181912D+02 U= 0.234434D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      97 A= 0.745020D+00 B= 0.563733D+03 U= 0.179133D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      98 A= 0.745020D+00 B= 0.848320D+02 U= 0.275332D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      99 A= 0.745020D+00 B= 0.181912D+02 U= 0.637795D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=    12 C2ShlIJ=     5     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.11D+01 0.11D+01
       C2CDif=      0.000000      0.000000      0.000000
       IJP=     100 A= 0.160945D+02 B= 0.229321D+02 U=-0.142635D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     101 A= 0.160945D+02 B= 0.177572D+01 U= 0.106285D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     102 A= 0.160945D+02 B= 0.557600D+00 U= 0.454300D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     103 A= 0.333684D+01 B= 0.229321D+02 U=-0.205885D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     104 A= 0.333684D+01 B= 0.177572D+01 U= 0.130257D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     105 A= 0.333684D+01 B= 0.557600D+00 U= 0.921516D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     106 A= 0.745020D+00 B= 0.229321D+02 U=-0.526977D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     107 A= 0.745020D+00 B= 0.177572D+01 U= 0.150648D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     108 A= 0.745020D+00 B= 0.557600D+00 U= 0.281161D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=    13 C2ShlIJ=     5     3 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.30D+00 0.30D+00
       C2CDif=      0.000000     -1.430901      1.108324
       IJP=     109 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.513316D+00-0.175932D+00
         P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
       IJP=     110 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.111710D+00 0.135139D+00
         P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
       IJP=     111 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.264234D-01 0.201198D+00
         P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
       IJP=     112 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.104399D+01-0.586970D+00
         P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
       IJP=     113 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.414951D+00-0.997414D-01
         P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
       IJP=     114 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.119042D+00 0.129459D+00
         P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
       IJP=     115 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.132155D+01-0.801958D+00
         P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
       IJP=     116 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.925162D+00-0.494933D+00
         P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
       IJP=     117 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.413499D+00-0.986167D-01
         P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
    IJShl=    14 C2ShlIJ=     5     4 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.30D+00 0.30D+00
       C2CDif=      0.000000      1.430901      1.108324
       IJP=     118 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.513316D+00-0.175932D+00
         P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
       IJP=     119 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.111710D+00 0.135139D+00
         P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
       IJP=     120 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.264234D-01 0.201198D+00
         P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
       IJP=     121 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.104399D+01-0.586970D+00
         P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
       IJP=     122 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.414951D+00-0.997414D-01
         P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
       IJP=     123 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.119042D+00 0.129459D+00
         P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
       IJP=     124 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.132155D+01-0.801958D+00
         P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
       IJP=     125 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.925162D+00-0.494933D+00
         P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
       IJP=     126 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.413499D+00-0.986167D-01
         P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
 IJTC=   3 IType= 2 JType= 2 T2N2St=     5
   IJTN=   5 NPrm=     9     0 C2St=    15 PDSt=   127 PCSt=   127
   IJTN=   6 NPrm=     9     0 C2St=    15 PDSt=   127 PCSt=   127
    IJShl=    15 C2ShlIJ=     5     5 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.29D+01 0.29D+01
       C2CDif=      0.000000      0.000000      0.000000
       IJP=     127 A= 0.160945D+02 B= 0.160945D+02 U= 0.479769D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     128 A= 0.160945D+02 B= 0.333684D+01 U= 0.150609D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     129 A= 0.160945D+02 B= 0.745020D+00 U= 0.490727D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     130 A= 0.333684D+01 B= 0.160945D+02 U= 0.150609D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     131 A= 0.333684D+01 B= 0.333684D+01 U= 0.340355D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     132 A= 0.333684D+01 B= 0.745020D+00 U= 0.375484D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     133 A= 0.745020D+00 B= 0.160945D+02 U= 0.490727D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     134 A= 0.745020D+00 B= 0.333684D+01 U= 0.375484D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     135 A= 0.745020D+00 B= 0.745020D+00 U= 0.252223D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
 IJTC=   4 IType= 3 JType= 4 T2N2St=     7
   IJTN=   7 NPrm=     1     1 C2St=    16 PDSt=   136 PCSt=   136
    IJShl=    16 C2ShlIJ=     6     6 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     1 C2KMax= 0.14D+02 0.14D+02
       C2CDif=      0.000000      0.000000      0.000000
       IJP=     136 A= 0.100000D+01 B= 0.000000D+00 U= 0.100000D+01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.000000D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
   IJTN=   8 NPrm=     1     1 C2St=    17 PDSt=   137 PCSt=   137
 Multipole Integrals                    
 The Identity operator will be used
 PrsmSu:  NPrtUS=   1 ThrOK=F IAlg=1 NPAlg=1 LenDen=           0.
 Prism:   IPart=     0 DynPar=F LinDyn=F Incr=           1.
 PRISM was handed    33551387 working-precision words and    15 shell-pairs
 PRISM will use Minimum- Mop paths
 [0] accuracy = 0.10D-12   Chebyshev Delta = 0.12D-02   Critical T = 28.20   # of points =  11979


           Zone         Bra Derivative Range     Ket Derivative Range
           ==========================================================
             1                 0 to 0                   0 to 0
           ==========================================================

                             -------------------
                             The (pp|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    1 Memory=    33549244.
 After MaxDer, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths: 29

    No. of target [m0|n0]   =    19
    No. of locations needed =    20

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       96 99999 99999 99999     0     0     0     0     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
9999999999999999999999999999999999999999    0    0    0    0   36   36   36   36
    0    0    0    0    0    0    0    0    0    0    0    0   36   36   36   36

                   VR1     cost =     174
                   Bra-TRn cost =     216
                   Ket-TRn cost =       0

                   Space needed for drivers          =    2680
                   Space needed for driver formation =    3900

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =       0
                   C38 =       0

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    37    19    20     1   0   0   0   0   1   0   0   1   0
 Prsmar:  KBra=    9 KKet=    1 PsmPth=29 Kost=        1934 NPerS4=       603 nW0=       180 nW1=        19 nW2=       180 nW0X=         0 NPS4B=       217 jEnd=      133534 LenV=    33551387 MaxCom=         217

                             -------------------
                             The (ps|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    1 Memory=    33550620.
 After MaxDer, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths: 29

    No. of target [m0|n0]   =     9
    No. of locations needed =    10

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       39 99999 99999 99999     0     0     0     0     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
9999999999999999999999999999999999999999    0    0    0    0   12   12   12   12
    0    0    0    0    0    0    0    0    0    0    0    0   12   12   12   12

                   VR1     cost =      67
                   Bra-TRn cost =      36
                   Ket-TRn cost =       0

                   Space needed for drivers          =    1001
                   Space needed for driver formation =    1220

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =       0
                   C38 =       0

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    13     9    10     1   0   0   0   0   0   0   0   1   0
 Prsmar:  KBra=    9 KKet=    1 PsmPth=29 Kost=         711 NPerS4=       417 nW0=        90 nW1=         9 nW2=        90 nW0X=         0 NPS4B=       201 jEnd=      131945 LenV=    33551387 MaxCom=         314

                             -------------------
                             The (ss|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    1 Memory=    33551081.
 After MaxDer, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths: 29

    No. of target [m0|n0]   =     4
    No. of locations needed =     4

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
        7 99999 99999 99999     0     0     0     0     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
9999999999999999999999999999999999999999    0    0    0    0    4    4    4    4
    0    0    0    0    0    0    0    0    0    0    0    0    4    4    4    4

                   VR1     cost =      15
                   Bra-TRn cost =      12
                   Ket-TRn cost =       0

                   Space needed for drivers          =     392
                   Space needed for driver formation =     506

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =       0
                   C38 =       0

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     4     4     4     1   0   0   0   0   0   0   0   1   0
 Prsmar:  KBra=    9 KKet=    1 PsmPth=29 Kost=         179 NPerS4=       310 nW0=        36 nW1=         4 nW2=        36 nW0X=         0 NPS4B=       196 jEnd=      131224 LenV=    33551387 MaxCom=         422
 IPart=  0 NShTot=          15 NBatch=           3 AvBLen=         5.0
 PrSmSu:  NxtVal=              2.
 Multipole matrices IBuc=  518 IX=    1 IJ=           1:
                1             2             3             4             5 
      1  0.000000D+00
      2  0.000000D+00  0.000000D+00
      3  0.467890D-01  0.665377D+00  0.000000D+00
      4  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00
      5  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00
      6  0.000000D+00  0.000000D+00  0.422167D+00  0.000000D+00  0.000000D+00
      7  0.000000D+00  0.000000D+00  0.422167D+00  0.000000D+00  0.000000D+00
                6             7 
      6  0.000000D+00
      7  0.000000D+00  0.000000D+00
 Multipole matrices IBuc=  518 IX=    2 IJ=           1:
                1             2             3             4             5 
      1  0.000000D+00
      2  0.000000D+00  0.000000D+00
      3  0.000000D+00  0.000000D+00  0.000000D+00
      4  0.467890D-01  0.665377D+00  0.000000D+00  0.000000D+00
      5  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00  0.000000D+00
      6  0.211068D-02  0.283582D+00  0.000000D+00  0.614883D+00 -0.149270D+00
      7 -0.211068D-02 -0.283582D+00  0.000000D+00  0.614883D+00  0.149270D+00
                6             7 
      6  0.143090D+01
      7  0.000000D+00 -0.143090D+01
 Multipole matrices IBuc=  518 IX=    3 IJ=           1:
                1             2             3             4             5 
      1  0.221665D+00
      2  0.450083D-01  0.221665D+00
      3  0.000000D+00  0.000000D+00  0.221665D+00
      4  0.000000D+00  0.000000D+00  0.000000D+00  0.221665D+00
      5  0.467890D-01  0.665377D+00  0.000000D+00  0.000000D+00  0.221665D+00
      6  0.105983D-01 -0.103366D+00  0.000000D+00 -0.792321D-01  0.483538D+00
      7  0.105983D-01 -0.103366D+00  0.000000D+00  0.792321D-01  0.483538D+00
                6             7 
      6 -0.886660D+00
      7 -0.329627D+00 -0.886660D+00
 ReDoC1: IPurDI=1 IPurFI=1 IPurDO=1 IPurFO=1.
 MO coefficients before ReDoC1: 
                 1             2             3 
      1   0.105279D+02  0.000000D+00  0.000000D+00
      2   0.156490D+00  0.752438D-01  0.752438D-01
      3   0.000000D+00  0.000000D+00  0.000000D+00
      4   0.000000D+00  0.115196D+00 -0.115196D+00
      5   0.000000D+00 -0.892265D-01 -0.892265D-01
      6   0.916236D-01  0.485232D+00  0.332490D-01
      7   0.916236D-01  0.332490D-01  0.485232D+00
 MO coefficients after ReDoC1: 
                 1             2             3 
      1   0.105279D+02  0.000000D+00  0.000000D+00
      2   0.156490D+00  0.752438D-01  0.752438D-01
      3   0.000000D+00  0.000000D+00  0.000000D+00
      4   0.000000D+00  0.115196D+00 -0.115196D+00
      5   0.000000D+00 -0.892265D-01 -0.892265D-01
      6   0.916236D-01  0.485232D+00  0.332490D-01
      7   0.916236D-01  0.332490D-01  0.485232D+00
 Fermi contact integrals: 
                 1             2             3 
      1   0.105279D+02  0.000000D+00  0.000000D+00
      2   0.156490D+00  0.752438D-01  0.752438D-01
      3   0.000000D+00  0.000000D+00  0.000000D+00
      4   0.000000D+00  0.115196D+00 -0.115196D+00
      5   0.000000D+00 -0.892265D-01 -0.892265D-01
      6   0.916236D-01  0.485232D+00  0.332490D-01
      7   0.916236D-01  0.332490D-01  0.485232D+00
 Leave Link  303 at Wed Aug  8 02:50:23 2018, MaxMem=    33554432 cpu:         0.1
 (Enter /ghome/chihiro/gaussian/g09-d.01/l320.exe)
 Enter DskPsm, NBasis=   7 NBas6D=   7 NShell=   5 IDoSP=3.
 Generating unsorted Raff 1 combos
 Symmetry not used in DskPsm.
 ShPair: Thresh= 1.00D-12 NBox=     0 BxSize= 0.00D+00 RnKept= 2.86D+00
         NSMCal=                   15 NSMKep=                  15
  NShlT=       5 NTypes=       2  LenT1=      15  LenC1=       7
  LenT2=       4  LenN2=     180  LenC2=      16 LenP2D=     135
 LenP2C=     135
 IType=       1 ShlT= 0 ShlC= 0 T1C1St=       1
   ISh=       1 C1NPrm=   3 C1ESt=       1 C1CSt=       1
     C1SMap=       1 C1AOS=       1 C1Cent=     1
     CentXYZ=      0.000000      0.000000      0.221665
     IPrm=       1 P1Exp= 2.82D+02 P1CMax= 3.39D+00
     IPrm=       2 P1Exp= 4.24D+01 P1CMax= 4.66D+00
     IPrm=       3 P1Exp= 9.10D+00 P1CMax= 2.48D+00
   ISh=       2 C1NPrm=   3 C1ESt=       4 C1CSt=       4
     C1SMap=       2 C1AOS=       2 C1Cent=     1
     CentXYZ=      0.000000      0.000000      0.221665
     IPrm=       4 P1Exp= 1.15D+01 P1CMax= 3.59D-01
     IPrm=       5 P1Exp= 8.88D-01 P1CMax= 3.79D-01
     IPrm=       6 P1Exp= 2.79D-01 P1CMax= 1.36D-01
   ISh=       3 C1NPrm=   3 C1ESt=       7 C1CSt=       7
     C1SMap=       4 C1AOS=       6 C1Cent=     2
     CentXYZ=      0.000000      1.430901     -0.886660
     IPrm=       7 P1Exp= 4.50D+00 P1CMax= 1.55D-01
     IPrm=       8 P1Exp= 6.81D-01 P1CMax= 2.18D-01
     IPrm=       9 P1Exp= 1.51D-01 P1CMax= 1.12D-01
   ISh=       4 C1NPrm=   3 C1ESt=      10 C1CSt=      10
     C1SMap=       5 C1AOS=       7 C1Cent=     3
     CentXYZ=      0.000000     -1.430901     -0.886660
     IPrm=      10 P1Exp= 4.50D+00 P1CMax= 1.55D-01
     IPrm=      11 P1Exp= 6.81D-01 P1CMax= 2.18D-01
     IPrm=      12 P1Exp= 1.51D-01 P1CMax= 1.12D-01
 IType=       2 ShlT= 1 ShlC= 1 T1C1St=       5
   ISh=       5 C1NPrm=   3 C1ESt=      13 C1CSt=      13
     C1SMap=       3 C1AOS=       3 C1Cent=     1
     CentXYZ=      0.000000      0.000000      0.221665
     IPrm=      13 P1Exp= 8.05D+00 P1CMax= 2.40D+00
     IPrm=      14 P1Exp= 1.67D+00 P1CMax= 1.29D+00
     IPrm=      15 P1Exp= 3.73D-01 P1CMax= 2.54D-01
 IJTC=   1 IType= 1 JType= 1 T2N2St=     1
   IJTN=   1 NPrm=     9     3 C2St=     1 PDSt=     1 PCSt=     1
   IJTN=   2 NPrm=     9     3 C2St=     1 PDSt=     1 PCSt=     1
    IJShl=     1 C2ShlIJ=     1     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.20D+01 0.20D+01
       C2CDif=      0.000000      0.000000      0.000000
       IJP=       1 A= 0.563733D+03 B= 0.563733D+03 U= 0.476929D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       2 A= 0.563733D+03 B= 0.848320D+02 U= 0.150361D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       3 A= 0.563733D+03 B= 0.181912D+02 U= 0.943914D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       4 A= 0.848320D+02 B= 0.563733D+03 U= 0.150361D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       5 A= 0.848320D+02 B= 0.848320D+02 U= 0.154574D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       6 A= 0.848320D+02 B= 0.181912D+02 U= 0.174295D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       7 A= 0.181912D+02 B= 0.563733D+03 U= 0.943914D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       8 A= 0.181912D+02 B= 0.848320D+02 U= 0.174295D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=       9 A= 0.181912D+02 B= 0.181912D+02 U= 0.443116D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     2 C2ShlIJ=     2     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.56D+00 0.56D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      10 A= 0.229321D+02 B= 0.563733D+03 U=-0.134692D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      11 A= 0.229321D+02 B= 0.848320D+02 U=-0.235328D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      12 A= 0.229321D+02 B= 0.181912D+02 U=-0.532622D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      13 A= 0.177572D+01 B= 0.563733D+03 U= 0.150466D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      14 A= 0.177572D+01 B= 0.848320D+02 U= 0.345318D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      15 A= 0.177572D+01 B= 0.181912D+02 U= 0.166438D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      16 A= 0.557600D+00 B= 0.563733D+03 U= 0.540830D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      17 A= 0.557600D+00 B= 0.848320D+02 U= 0.126376D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      18 A= 0.557600D+00 B= 0.181912D+02 U= 0.655355D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     3 C2ShlIJ=     2     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.48D+00 0.48D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      19 A= 0.229321D+02 B= 0.229321D+02 U= 0.653186D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      20 A= 0.229321D+02 B= 0.177572D+01 U=-0.174649D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      21 A= 0.229321D+02 B= 0.557600D+00 U=-0.675023D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      22 A= 0.177572D+01 B= 0.229321D+02 U=-0.174649D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      23 A= 0.177572D+01 B= 0.177572D+01 U= 0.338828D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      24 A= 0.177572D+01 B= 0.557600D+00 U= 0.227951D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      25 A= 0.557600D+00 B= 0.229321D+02 U=-0.675023D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      26 A= 0.557600D+00 B= 0.177572D+01 U= 0.227951D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      27 A= 0.557600D+00 B= 0.557600D+00 U= 0.247168D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     4 C2ShlIJ=     3     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.11D+00 0.11D+00
       C2CDif=      0.000000      1.430901     -1.108324
       IJP=      28 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.224942D-01 0.204242D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
       IJP=      29 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.137296D+00 0.115320D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
       IJP=      30 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.473739D+00-0.145276D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
       IJP=      31 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.345102D-02 0.218992D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
       IJP=      32 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.226250D-01 0.204140D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
       IJP=      33 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.997312D-01 0.144417D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
       IJP=      34 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.768162D-03 0.221070D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
       IJP=      35 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.508924D-02 0.217723D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
       IJP=      36 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.234276D-01 0.203519D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
    IJShl=     5 C2ShlIJ=     3     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.19D+00 0.19D+00
       C2CDif=      0.000000      1.430901     -1.108324
       IJP=      37 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.403413D+00-0.908043D-01
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
       IJP=      38 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.119518D+01-0.704081D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
       IJP=      39 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.134745D+01-0.822023D+00
         P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
       IJP=      40 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.802701D-01 0.159491D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
       IJP=      41 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.621345D+00-0.259606D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
       IJP=      42 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.101545D+01-0.564865D+00
         P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
       IJP=      43 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.186475D-01 0.207221D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
       IJP=      44 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.208452D+00 0.602054D-01
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
       IJP=      45 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.503572D+00-0.168384D+00
         P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
    IJShl=     6 C2ShlIJ=     3     3 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.33D+00 0.33D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      46 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      47 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      48 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      49 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      50 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      51 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      52 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      53 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      54 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=     7 C2ShlIJ=     4     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.11D+00 0.11D+00
       C2CDif=      0.000000     -1.430901     -1.108324
       IJP=      55 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.224942D-01 0.204242D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
       IJP=      56 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.137296D+00 0.115320D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
       IJP=      57 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.473739D+00-0.145276D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
       IJP=      58 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.345102D-02 0.218992D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
       IJP=      59 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.226250D-01 0.204140D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
       IJP=      60 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.997312D-01 0.144417D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
       IJP=      61 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.768162D-03 0.221070D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
       IJP=      62 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.508924D-02 0.217723D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
       IJP=      63 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.234276D-01 0.203519D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
    IJShl=     8 C2ShlIJ=     4     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.19D+00 0.19D+00
       C2CDif=      0.000000     -1.430901     -1.108324
       IJP=      64 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.403413D+00-0.908043D-01
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
       IJP=      65 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.119518D+01-0.704081D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
       IJP=      66 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.134745D+01-0.822023D+00
         P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
         P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
       IJP=      67 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.802701D-01 0.159491D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
       IJP=      68 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.621345D+00-0.259606D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
       IJP=      69 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.101545D+01-0.564865D+00
         P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
         P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
       IJP=      70 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.186475D-01 0.207221D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
       IJP=      71 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.208452D+00 0.602054D-01
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
       IJP=      72 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.503572D+00-0.168384D+00
         P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
         P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
    IJShl=     9 C2ShlIJ=     4     3 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.18D+00 0.18D+00
       C2CDif=      0.000000     -2.861801      0.000000
       IJP=      73 A= 0.900360D+01 B= 0.900360D+01 U= 0.489458D-10
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
         P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
       IJP=      74 A= 0.900360D+01 B= 0.136289D+01 U= 0.125313D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.105466D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
         P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
       IJP=      75 A= 0.900360D+01 B= 0.302796D+00 U= 0.290652D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.133779D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
         P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
       IJP=      76 A= 0.136289D+01 B= 0.900360D+01 U= 0.125313D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.105466D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
         P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
       IJP=      77 A= 0.136289D+01 B= 0.136289D+01 U= 0.102108D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
         P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
       IJP=      78 A= 0.136289D+01 B= 0.302796D+00 U= 0.648845D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.910669D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
         P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
       IJP=      79 A= 0.302796D+00 B= 0.900360D+01 U= 0.290652D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.133779D+01-0.886660D+00
         P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
       IJP=      80 A= 0.302796D+00 B= 0.136289D+01 U= 0.648845D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.910669D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
       IJP=      81 A= 0.302796D+00 B= 0.302796D+00 U= 0.225719D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00-0.886660D+00
         P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
    IJShl=    10 C2ShlIJ=     4     4 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.33D+00 0.33D+00
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      82 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      83 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      84 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      85 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      86 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      87 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      88 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      89 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      90 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.143090D+01-0.886660D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
 IJTC=   2 IType= 2 JType= 1 T2N2St=     3
   IJTN=   3 NPrm=     9     3 C2St=    11 PDSt=    91 PCSt=    91
   IJTN=   4 NPrm=     9     3 C2St=    11 PDSt=    91 PCSt=    91
    IJShl=    11 C2ShlIJ=     5     1 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.21D+01 0.21D+01
       C2CDif=      0.000000      0.000000      0.000000
       IJP=      91 A= 0.160945D+02 B= 0.563733D+03 U= 0.158147D-04
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      92 A= 0.160945D+02 B= 0.848320D+02 U= 0.172088D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      93 A= 0.160945D+02 B= 0.181912D+02 U= 0.136505D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      94 A= 0.333684D+01 B= 0.563733D+03 U= 0.897053D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      95 A= 0.333684D+01 B= 0.848320D+02 U= 0.129443D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      96 A= 0.333684D+01 B= 0.181912D+02 U= 0.234434D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      97 A= 0.745020D+00 B= 0.563733D+03 U= 0.179133D-05
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      98 A= 0.745020D+00 B= 0.848320D+02 U= 0.275332D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=      99 A= 0.745020D+00 B= 0.181912D+02 U= 0.637795D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=    12 C2ShlIJ=     5     2 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.11D+01 0.11D+01
       C2CDif=      0.000000      0.000000      0.000000
       IJP=     100 A= 0.160945D+02 B= 0.229321D+02 U=-0.142635D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     101 A= 0.160945D+02 B= 0.177572D+01 U= 0.106285D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     102 A= 0.160945D+02 B= 0.557600D+00 U= 0.454300D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     103 A= 0.333684D+01 B= 0.229321D+02 U=-0.205885D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     104 A= 0.333684D+01 B= 0.177572D+01 U= 0.130257D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     105 A= 0.333684D+01 B= 0.557600D+00 U= 0.921516D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     106 A= 0.745020D+00 B= 0.229321D+02 U=-0.526977D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     107 A= 0.745020D+00 B= 0.177572D+01 U= 0.150648D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     108 A= 0.745020D+00 B= 0.557600D+00 U= 0.281161D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
    IJShl=    13 C2ShlIJ=     5     3 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.30D+00 0.30D+00
       C2CDif=      0.000000     -1.430901      1.108324
       IJP=     109 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.513316D+00-0.175932D+00
         P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
       IJP=     110 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.111710D+00 0.135139D+00
         P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
       IJP=     111 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.264234D-01 0.201198D+00
         P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
       IJP=     112 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.104399D+01-0.586970D+00
         P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
       IJP=     113 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.414951D+00-0.997414D-01
         P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
       IJP=     114 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.119042D+00 0.129459D+00
         P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
       IJP=     115 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.132155D+01-0.801958D+00
         P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
       IJP=     116 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.925162D+00-0.494933D+00
         P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
       IJP=     117 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.413499D+00-0.986167D-01
         P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
    IJShl=    14 C2ShlIJ=     5     4 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.30D+00 0.30D+00
       C2CDif=      0.000000      1.430901      1.108324
       IJP=     118 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.513316D+00-0.175932D+00
         P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
       IJP=     119 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.111710D+00 0.135139D+00
         P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
       IJP=     120 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.264234D-01 0.201198D+00
         P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
         P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
       IJP=     121 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.104399D+01-0.586970D+00
         P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
       IJP=     122 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.414951D+00-0.997414D-01
         P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
       IJP=     123 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.119042D+00 0.129459D+00
         P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
         P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
       IJP=     124 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.132155D+01-0.801958D+00
         P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
       IJP=     125 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.925162D+00-0.494933D+00
         P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
       IJP=     126 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00-0.413499D+00-0.986167D-01
         P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
         P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
 IJTC=   3 IType= 2 JType= 2 T2N2St=     5
   IJTN=   5 NPrm=     9     3 C2St=    15 PDSt=   127 PCSt=   127
   IJTN=   6 NPrm=     9     3 C2St=    15 PDSt=   127 PCSt=   127
    IJShl=    15 C2ShlIJ=     5     5 C2CelJ=     1 C2LocIJ=   1   1 C2FPrm=     9 C2KMax= 0.29D+01 0.29D+01
       C2CDif=      0.000000      0.000000      0.000000
       IJP=     127 A= 0.160945D+02 B= 0.160945D+02 U= 0.479769D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     128 A= 0.160945D+02 B= 0.333684D+01 U= 0.150609D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     129 A= 0.160945D+02 B= 0.745020D+00 U= 0.490727D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     130 A= 0.333684D+01 B= 0.160945D+02 U= 0.150609D-02
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     131 A= 0.333684D+01 B= 0.333684D+01 U= 0.340355D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     132 A= 0.333684D+01 B= 0.745020D+00 U= 0.375484D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     133 A= 0.745020D+00 B= 0.160945D+02 U= 0.490727D-03
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     134 A= 0.745020D+00 B= 0.333684D+01 U= 0.375484D-01
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
       IJP=     135 A= 0.745020D+00 B= 0.745020D+00 U= 0.252223D+00
                    C= 0.100000D+01
         P2P=   0.000000D+00 0.000000D+00 0.221665D+00
         P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
         P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
 NGot=    33292287 Memory for integrals=    33288236 for sort=           0.
 Out2e will use a cutoff of  1.00D-10
 PrRfSu:  IncDef=   512 NBBP=            120 NTPThr=   100 NPartT=    2 Incr=           1 LDynOK=F.
 PrRfSu:  NPrtUS=   2 ThrOK=T IAlg=1 NPAlg=1 LenDen=           0.
 PrmRaf was handed    16642749 working-precision words and    15 shell-pairs
 PrmRaf will use Minimum- Mop paths
 PrmRaf:  IPart=     0 DynPar=F LinDyn=F Incr=           1.
 PrmRaf was handed    16642749 working-precision words and    15 shell-pairs
 PrmRaf will use Minimum- Mop paths
 [0] accuracy = 0.10D-11   Chebyshev Delta = 0.21D-02   Critical T = 25.98   # of points =   6206

 [0] accuracy = 0.10D-11   Chebyshev Delta = 0.21D-02   Critical T = 25.98   # of points =   6206


           Zone         Bra Derivative Range     Ket Derivative Range
           ==========================================================
             1                 0 to 0                   0 to 0
           ==========================================================

           Zone         Bra Derivative Range     Ket Derivative Range
           ==========================================================
             1                 0 to 0                   0 to 0
           ==========================================================

           Zone         Bra Derivative Range     Ket Derivative Range
           ==========================================================
             1                 0 to 0                   0 to 0
           ==========================================================

           Zone         Bra Derivative Range     Ket Derivative Range
           ==========================================================
             1                 0 to 0                   0 to 0
           ==========================================================

           Zone         Bra Derivative Range     Ket Derivative Range
           ==========================================================
             1                 0 to 0                   0 to 0
           ==========================================================

           Zone         Bra Derivative Range     Ket Derivative Range
           ==========================================================
             1                 0 to 0                   0 to 0
           ==========================================================

                             -------------------
                             The (pp|pp) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    9 Memory=    16590726.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  0  1  4  5 10 11 14 29

                             -------------------
                             The (pp|pp) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    9 Memory=    16590726.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  0  1  4  5 10 11 14 29

    No. of target [m0|n0]   =    81
    No. of locations needed =    93

    No. of target [m0|n0]   =    81
    No. of locations needed =    93

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
      189  1053  1053  2936   900   870  1260  1218   810   810   783   783
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
   76   76  269  269  147  147  215  215   90  198  198  126   81   81   81   81
   40   40  148  148   89   89  131  131   90  126  126  126   81   81   81   81

                   VR1     cost =     983
                   Bra-TRn cost =     324
                   Ket-TRn cost =     324

                   Space needed for drivers          =   16571
                   Space needed for driver formation =   21928

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =     400
                   C38 =     784

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
      189  1053  1053  2936   900   870  1260  1218   810   810   783   783
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
   76   76  269  269  147  147  215  215   90  198  198  126   81   81   81   81
   40   40  148  148   89   89  131  131   90  126  126  126   81   81   81   81

                   VR1     cost =     983
                   Bra-TRn cost =     324
                   Ket-TRn cost =     324

                   Space needed for drivers          =   16571
                   Space needed for driver formation =   21928

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =     400
                   C38 =     784

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
   224    40     5     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9      0     13006

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
   224    40     5     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9      0     13006

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
   224    40     5     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9      0     13006

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
   224    40     5     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9      0     13006

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
   224    40     5     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9      0     13006

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
   224    40     5     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9      0     13006
 Prsmal:                    3519    729   2670        37
 Prsmal:                    3519    729   2670        37

                             -------------------
                             The (pp|ps) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    9 Memory=    16591396.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  0  1  4  5 10 11 14 29

    No. of target [m0|n0]   =    27
    No. of locations needed =    32

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       96   393   300   721   360   348   360   348   108   108   108   108
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
   43   27   77   84   68   39   56   68   36   45   45   36   27   27   27   27
   23   15   47   47   42   29   42   42   36   36   36   36   27   27   27   27

                   VR1     cost =     288
                   Bra-TRn cost =     108
                   Ket-TRn cost =       0

                   Space needed for drivers          =    6127
                   Space needed for driver formation =    7188

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =     160
                   C38 =     224

                             -------------------
                             The (ps|pp) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    9 Memory=    16586788.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  0  1  4  5 10 11 14 29

    No. of target [m0|n0]   =    27
    No. of locations needed =    36

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       96   300   393   721   120   120   168   168   270   270   261   261
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
   27   43   84   77   39   68   68   56   30   66   66   42   27   27   27   27
   15   23   47   47   29   42   42   42   30   42   42   42   27   27   27   27

                   VR1     cost =     278
                   Bra-TRn cost =       0
                   Ket-TRn cost =     108

                   Space needed for drivers          =   11458
                   Space needed for driver formation =   12558

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =     160
                   C38 =     224

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    68    15     4     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9     10      3938

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    68    15     4     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9     10      3938

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    68    15     4     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9      0      3911
 Prsmal:                    2349    378   1851        55

                             -------------------
                             The (pp|ps) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    9 Memory=    16591396.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  0  1  4  5 10 11 14 29

    No. of target [m0|n0]   =    27
    No. of locations needed =    32

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       96   393   300   721   360   348   360   348   108   108   108   108
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
   43   27   77   84   68   39   56   68   36   45   45   36   27   27   27   27
   23   15   47   47   42   29   42   42   36   36   36   36   27   27   27   27

                   VR1     cost =     288
                   Bra-TRn cost =     108
                   Ket-TRn cost =       0

                   Space needed for drivers          =    6127
                   Space needed for driver formation =    7188

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =     160
                   C38 =     224

                             -------------------
                             The (ps|pp) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    9 Memory=    16586788.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  0  1  4  5 10 11 14 29

    No. of target [m0|n0]   =    27
    No. of locations needed =    36

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       96   300   393   721   120   120   168   168   270   270   261   261
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
   27   43   84   77   39   68   68   56   30   66   66   42   27   27   27   27
   15   23   47   47   29   42   42   42   30   42   42   42   27   27   27   27

                   VR1     cost =     278
                   Bra-TRn cost =       0
                   Ket-TRn cost =     108

                   Space needed for drivers          =   11458
                   Space needed for driver formation =   12558

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =     160
                   C38 =     224

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    68    15     4     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9     10      3938

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    68    15     4     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9     10      3938

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    68    15     4     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9      0      3911
 Prsmal:                    2349    378   1851        55

                             -------------------
                             The (pp|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    9 Memory=    16591823.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  0  1  4  5 10 11 14 29

    No. of target [m0|n0]   =     9
    No. of locations needed =    10

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       39    93    78   150    90    87    90    87     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
   18    9   20   26   22   10   14   22    9    9    9    9    9    9    9    9
   10    6   15   15   14   10   14   14    9    9    9    9    9    9    9    9

                   VR1     cost =      67
                   Bra-TRn cost =      36
                   Ket-TRn cost =       0

                   Space needed for drivers          =    2478
                   Space needed for driver formation =    2667

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =      40
                   C38 =      56

                             -------------------
                             The (ps|ps) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    9 Memory=    16590443.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  0  1  4  5 10 11 14 29

    No. of target [m0|n0]   =     9
    No. of locations needed =    11

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       39    93    93   150    48    48    48    48    36    36    36    36
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
   14   14   22   22   17   17   17   17   12   15   15   12    9    9    9    9
    8    8   14   14   13   13   13   13   12   12   12   12    9    9    9    9

                   VR1     cost =      81
                   Bra-TRn cost =       0
                   Ket-TRn cost =       0

                   Space needed for drivers          =    4109
                   Space needed for driver formation =    4335

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =      64
                   C38 =      64

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    20     6     3     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9     10      1131

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    19     8     3     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9      0      1480

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    19     8     3     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9      0      1480
 Prsmal:                    1629    261   1248        80

                             -------------------
                             The (pp|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    9 Memory=    16591823.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  0  1  4  5 10 11 14 29

    No. of target [m0|n0]   =     9
    No. of locations needed =    10

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       39    93    78   150    90    87    90    87     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
   18    9   20   26   22   10   14   22    9    9    9    9    9    9    9    9
   10    6   15   15   14   10   14   14    9    9    9    9    9    9    9    9

                   VR1     cost =      67
                   Bra-TRn cost =      36
                   Ket-TRn cost =       0

                   Space needed for drivers          =    2478
                   Space needed for driver formation =    2667

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =      40
                   C38 =      56

                             -------------------
                             The (ps|ps) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    9 Memory=    16590443.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  0  1  4  5 10 11 14 29

    No. of target [m0|n0]   =     9
    No. of locations needed =    11

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
       39    93    93   150    48    48    48    48    36    36    36    36
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
   14   14   22   22   17   17   17   17   12   15   15   12    9    9    9    9
    8    8   14   14   13   13   13   13   12   12   12   12    9    9    9    9

                   VR1     cost =      81
                   Bra-TRn cost =       0
                   Ket-TRn cost =       0

                   Space needed for drivers          =    4109
                   Space needed for driver formation =    4335

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =      64
                   C38 =      64

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    20     6     3     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9     10      1131

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    19     8     3     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9      0      1480

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
    19     8     3     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9      0      1480
 Prsmal:                    1629    261   1248        80

                             -------------------
                             The (ps|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    9 Memory=    16592770.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  0  1  4  5 10 11 14 29

    No. of target [m0|n0]   =     3
    No. of locations needed =     4

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
        7    15    15    21    12    12    12    12     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
    5    4    5    6    5    4    4    5    3    3    3    3    3    3    3    3
    3    3    4    4    4    4    4    4    3    3    3    3    3    3    3    3

                   VR1     cost =      15
                   Bra-TRn cost =       0
                   Ket-TRn cost =       0

                   Space needed for drivers          =     668
                   Space needed for driver formation =     706

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =      16
                   C38 =      16

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     6     3     2     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9     10       380

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     6     3     2     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9     10       380

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     6     3     2     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9     10       380
 Prsmal:                    1056    168    768       124

                             -------------------
                             The (ps|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    9 Memory=    16592770.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  0  1  4  5 10 11 14 29

    No. of target [m0|n0]   =     3
    No. of locations needed =     4

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
        7    15    15    21    12    12    12    12     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
    5    4    5    6    5    4    4    5    3    3    3    3    3    3    3    3
    3    3    4    4    4    4    4    4    3    3    3    3    3    3    3    3

                   VR1     cost =      15
                   Bra-TRn cost =       0
                   Ket-TRn cost =       0

                   Space needed for drivers          =     668
                   Space needed for driver formation =     706

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =      16
                   C38 =      16

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     6     3     2     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9     10       380

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     6     3     2     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9     10       380

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     6     3     2     0   0   0   1   0   1   0   1   0   0
 PrmPth:                       9      9     10       380
 Prsmal:                    1056    168    768       124

                             -------------------
                             The (ss|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    9 Memory=    16617837.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  0  1  4  5 10 11 14 29

    No. of target [m0|n0]   =     1
    No. of locations needed =     1

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
        0     0     0     0     0     0     0     0     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
    1    1    1    1    1    1    1    1    1    1    1    1    1    1    1    1
    1    1    1    1    1    1    1    1    1    1    1    1    1    1    1    1

                   VR1     cost =       0
                   Bra-TRn cost =       0
                   Ket-TRn cost =       0

                   Space needed for drivers          =     185
                   Space needed for driver formation =     186

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =       4
                   C38 =       4

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     1     1     1     0   0   0   0   0   0   0   0   0   0
 PrmPth:                       9      9      0        80

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     1     1     1     0   0   0   0   0   0   0   0   0   0
 PrmPth:                       9      9      0        80

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     1     1     1     0   0   0   0   0   0   0   0   0   0
 PrmPth:                       9      9      0        80
 Prsmal:                     772     83    569       169
 IPart=  1 NShTot=          30 NBatch=           4 AvBLen=         7.5

                             -------------------
                             The (ss|ss) Classes
 Not enough memory for any path:
 MxKBra=    9 MxKKet=    9 Memory=    16617837.
 After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
 After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
                             -------------------

       Available PRISM Paths:  0  1  4  5 10 11 14 29

    No. of target [m0|n0]   =     1
    No. of locations needed =     1

       T1    T2    T3    T4    T5    T6    T7    T8    T9   T10   T11   T12
        0     0     0     0     0     0     0     0     0     0     0     0
   C1   C2   C3   C4   C5   C6   C7   C8   C9  C10  C11  C12  C13  C14  C15  C16
    1    1    1    1    1    1    1    1    1    1    1    1    1    1    1    1
    1    1    1    1    1    1    1    1    1    1    1    1    1    1    1    1

                   VR1     cost =       0
                   Bra-TRn cost =       0
                   Ket-TRn cost =       0

                   Space needed for drivers          =     185
                   Space needed for driver formation =     186

                   KBra   KKet   Path     Mops    Wds/S4    MaxCom 

                   C37 =       4
                   C38 =       4

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     1     1     1     0   0   0   0   0   0   0   0   0   0
 PrmPth:                       9      9      0        80

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     1     1     1     0   0   0   0   0   0   0   0   0   0
 PrmPth:                       9      9      0        80

  n0SL  n1SL  n2SL   mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
     1     1     1     0   0   0   0   0   0   0   0   0   0
 PrmPth:                       9      9      0        80
 Prsmal:                     772     83    569       169
 IPart=  0 NShTot=          40 NBatch=           5 AvBLen=         8.0
 PrRfSu:  NxtVal=              3.
          228 integrals produced for a total of          228.
 Leave Link  320 at Wed Aug  8 02:50:23 2018, MaxMem=    33554432 cpu:         0.1
 (Enter /ghome/chihiro/gaussian/g09-d.01/l316.exe)



 *** Dumping Two-Electron integrals ***



 ISMode= 1 Mode= 2 IBase=         1 IBasD=         1    131073
 DBase=     65537 DBasD=     65537    196609 IReset=         1         1
 IntCnt=       228 ITotal=       228 NWIIB=    131072 ISym2E=0
 I=  3 J=  3 K=  3 L=  3 R1=  0.203978611993D+00
 I=  4 J=  3 K=  4 L=  3 R1= -0.762909144504D-01
 I=  5 J=  3 K=  5 L=  3 R1= -0.762909144504D-01
 I=  4 J=  4 K=  3 L=  3 R1=  0.713120881787D+00
 I=  4 J=  4 K=  4 L=  4 R1=  0.203978611993D+00
 I=  5 J=  4 K=  5 L=  4 R1= -0.762909144504D-01
 I=  5 J=  5 K=  3 L=  3 R1=  0.713120881787D+00
 I=  5 J=  5 K=  4 L=  4 R1=  0.713120881787D+00
 I=  5 J=  5 K=  5 L=  5 R1=  0.203978611993D+00
 I=  7 J=  3 K=  4 L=  3 R1=  0.380330377726D-01
 I=  7 J=  3 K=  5 L=  3 R1=  0.294590288611D-01
 I=  7 J=  4 K=  3 L=  3 R1= -0.171633538453D+00
 I=  7 J=  4 K=  4 L=  4 R1= -0.978184991281D-01
 I=  7 J=  4 K=  5 L=  4 R1=  0.277154568287D-01
 I=  7 J=  4 K=  5 L=  5 R1= -0.172984046902D+00
 I=  7 J=  5 K=  3 L=  3 R1= -0.132941191631D+00
 I=  7 J=  5 K=  4 L=  4 R1= -0.134684763663D+00
 I=  7 J=  5 K=  5 L=  4 R1=  0.366825293244D-01
 I=  7 J=  5 K=  5 L=  5 R1= -0.750691893827D-01
 I=  6 J=  3 K=  4 L=  3 R1= -0.380330377726D-01
 I=  6 J=  3 K=  5 L=  3 R1=  0.294590288611D-01
 I=  6 J=  4 K=  3 L=  3 R1=  0.171633538453D+00
 I=  6 J=  4 K=  4 L=  4 R1=  0.978184991281D-01
 I=  6 J=  4 K=  5 L=  4 R1=  0.277154568287D-01
 I=  6 J=  4 K=  5 L=  5 R1=  0.172984046902D+00
 I=  6 J=  5 K=  3 L=  3 R1= -0.132941191631D+00
 I=  6 J=  5 K=  4 L=  4 R1= -0.134684763663D+00
 I=  6 J=  5 K=  5 L=  4 R1= -0.366825293244D-01
 I=  6 J=  5 K=  5 L=  5 R1= -0.750691893827D-01
 I=  3 J=  3 K=  2 L=  1 R1=  0.197359913939D+00
 I=  3 J=  2 K=  3 L=  1 R1= -0.265222245907D-01
 I=  6 J=  1 K=  3 L=  3 R1=  0.534062972993D-01
 I=  6 J=  3 K=  3 L=  1 R1= -0.657282820226D-02
 I=  6 J=  6 K=  3 L=  3 R1=  0.441662424993D+00
 I=  6 J=  3 K=  6 L=  3 R1= -0.456412851503D-01
 I=  7 J=  2 K=  3 L=  3 R1=  0.309749598663D+00
 I=  7 J=  3 K=  3 L=  2 R1= -0.375310245153D-01
 I=  7 J=  7 K=  3 L=  3 R1=  0.441662424993D+00
 I=  7 J=  3 K=  7 L=  3 R1= -0.456412851503D-01
 I=  4 J=  4 K=  2 L=  1 R1=  0.197359913939D+00
 I=  4 J=  2 K=  4 L=  1 R1= -0.265222245907D-01
 I=  6 J=  1 K=  4 L=  4 R1=  0.524961017562D-01
 I=  6 J=  4 K=  4 L=  1 R1= -0.505647888755D-02
 I=  6 J=  6 K=  4 L=  4 R1=  0.431400165147D+00
 I=  6 J=  4 K=  6 L=  4 R1= -0.196137663540D-01
 I=  7 J=  2 K=  4 L=  4 R1=  0.307680125563D+00
 I=  7 J=  4 K=  4 L=  2 R1= -0.249250325132D-01
 I=  7 J=  7 K=  4 L=  4 R1=  0.431400165147D+00
 I=  7 J=  4 K=  7 L=  4 R1= -0.196137663540D-01
 I=  6 J=  1 K=  5 L=  4 R1=  0.705004867921D-03
 I=  6 J=  5 K=  4 L=  1 R1= -0.117450986936D-02
 I=  6 J=  6 K=  5 L=  4 R1=  0.794877892240D-02
 I=  7 J=  2 K=  5 L=  4 R1= -0.160293974271D-02
 I=  7 J=  5 K=  4 L=  2 R1=  0.976414990656D-02
 I=  7 J=  7 K=  5 L=  4 R1= -0.794877892240D-02
 I=  6 J=  4 K=  5 L=  1 R1= -0.117450986936D-02
 I=  6 J=  5 K=  6 L=  4 R1= -0.403199677073D-01
 I=  7 J=  4 K=  5 L=  2 R1=  0.976414990656D-02
 I=  7 J=  5 K=  7 L=  4 R1=  0.403199677073D-01
 I=  5 J=  5 K=  2 L=  1 R1=  0.197359913939D+00
 I=  5 J=  2 K=  5 L=  1 R1= -0.265222245907D-01
 I=  6 J=  1 K=  5 L=  5 R1=  0.528602257791D-01
 I=  6 J=  5 K=  5 L=  1 R1= -0.566309492390D-02
 I=  6 J=  6 K=  5 L=  5 R1=  0.435505585535D+00
 I=  6 J=  5 K=  6 L=  5 R1= -0.300260837105D-01
 I=  7 J=  2 K=  5 L=  5 R1=  0.308508018949D+00
 I=  7 J=  5 K=  5 L=  2 R1= -0.299680637121D-01
 I=  7 J=  7 K=  5 L=  5 R1=  0.435505585535D+00
 I=  7 J=  5 K=  7 L=  5 R1= -0.300260837105D-01
 I=  3 J=  3 K=  1 L=  1 R1=  0.108148522266D+01
 I=  3 J=  1 K=  3 L=  1 R1= -0.125978416298D+00
 I=  3 J=  3 K=  2 L=  2 R1=  0.701701409267D+00
 I=  3 J=  2 K=  3 L=  2 R1= -0.351318943580D-01
 I=  6 J=  2 K=  3 L=  3 R1=  0.309749598663D+00
 I=  6 J=  3 K=  3 L=  2 R1= -0.375310245153D-01
 I=  7 J=  1 K=  3 L=  3 R1=  0.534062972993D-01
 I=  7 J=  3 K=  3 L=  1 R1= -0.657282820226D-02
 I=  7 J=  6 K=  3 L=  3 R1=  0.177435203232D+00
 I=  7 J=  3 K=  6 L=  3 R1= -0.281109989151D-01
 I=  4 J=  4 K=  1 L=  1 R1=  0.108148522266D+01
 I=  4 J=  1 K=  4 L=  1 R1= -0.125978416298D+00
 I=  4 J=  4 K=  2 L=  2 R1=  0.701701409267D+00
 I=  4 J=  2 K=  4 L=  2 R1= -0.351318943580D-01
 I=  6 J=  2 K=  4 L=  4 R1=  0.307680125563D+00
 I=  6 J=  4 K=  4 L=  2 R1= -0.249250325132D-01
 I=  7 J=  1 K=  4 L=  4 R1=  0.524961017562D-01
 I=  7 J=  4 K=  4 L=  1 R1= -0.505647888755D-02
 I=  7 J=  6 K=  4 L=  4 R1=  0.195840603682D+00
 I=  7 J=  4 K=  6 L=  4 R1= -0.517318469096D-01
 I=  6 J=  2 K=  5 L=  4 R1=  0.160293974271D-02
 I=  6 J=  5 K=  4 L=  2 R1= -0.976414990656D-02
 I=  7 J=  1 K=  5 L=  4 R1= -0.705004867921D-03
 I=  7 J=  5 K=  4 L=  1 R1=  0.117450986936D-02
 I=  7 J=  5 K=  6 L=  4 R1= -0.422253826262D-01
 I=  6 J=  4 K=  5 L=  2 R1= -0.976414990656D-02
 I=  7 J=  4 K=  5 L=  1 R1=  0.117450986936D-02
 I=  7 J=  4 K=  6 L=  5 R1=  0.422253826262D-01
 I=  5 J=  5 K=  1 L=  1 R1=  0.108148522266D+01
 I=  5 J=  1 K=  5 L=  1 R1= -0.125978416298D+00
 I=  5 J=  5 K=  2 L=  2 R1=  0.701701409267D+00
 I=  5 J=  2 K=  5 L=  2 R1= -0.351318943580D-01
 I=  6 J=  2 K=  5 L=  5 R1=  0.308508018949D+00
 I=  6 J=  5 K=  5 L=  2 R1= -0.299680637121D-01
 I=  7 J=  1 K=  5 L=  5 R1=  0.528602257791D-01
 I=  7 J=  5 K=  5 L=  1 R1= -0.566309492390D-02
 I=  7 J=  6 K=  5 L=  5 R1=  0.165276246036D+00
 I=  7 J=  5 K=  6 L=  5 R1= -0.991091964493D-03
 I=  6 J=  4 K=  2 L=  1 R1=  0.410490535272D-01
 I=  6 J=  2 K=  4 L=  1 R1= -0.641684207907D-02
 I=  6 J=  1 K=  4 L=  2 R1= -0.102664579776D-01
 I=  6 J=  4 K=  6 L=  1 R1=  0.721308072114D-02
 I=  6 J=  6 K=  4 L=  1 R1=  0.166877634891D-02
 I=  6 J=  6 K=  6 L=  4 R1=  0.115738465221D+00
 I=  7 J=  4 K=  2 L=  1 R1= -0.410490535272D-01
 I=  7 J=  2 K=  4 L=  1 R1=  0.641684207907D-02
 I=  7 J=  1 K=  4 L=  2 R1=  0.102664579776D-01
 I=  7 J=  4 K=  6 L=  1 R1= -0.138533524470D-01
 I=  7 J=  1 K=  6 L=  4 R1=  0.138533524470D-01
 I=  7 J=  4 K=  6 L=  6 R1= -0.112399586492D+00
 I=  7 J=  6 K=  6 L=  4 R1=  0.647623419364D-01
 I=  7 J=  4 K=  7 L=  2 R1= -0.675065401065D-01
 I=  7 J=  7 K=  4 L=  2 R1= -0.258516207555D-01
 I=  7 J=  7 K=  7 L=  4 R1= -0.115738465221D+00
 I=  6 J=  5 K=  2 L=  1 R1= -0.317951266425D-01
 I=  6 J=  2 K=  5 L=  1 R1=  0.497025604777D-02
 I=  6 J=  1 K=  5 L=  2 R1=  0.795203064427D-02
 I=  6 J=  5 K=  6 L=  1 R1= -0.558699398171D-02
 I=  6 J=  6 K=  5 L=  1 R1= -0.129257439070D-02
 I=  6 J=  6 K=  6 L=  5 R1= -0.896468698525D-01
 I=  7 J=  5 K=  2 L=  1 R1= -0.317951266425D-01
 I=  7 J=  2 K=  5 L=  1 R1=  0.497025604777D-02
 I=  7 J=  1 K=  5 L=  2 R1=  0.795203064427D-02
 I=  7 J=  5 K=  6 L=  1 R1= -0.624274338023D-02
 I=  7 J=  6 K=  5 L=  1 R1=  0.174279090841D-02
 I=  7 J=  1 K=  6 L=  5 R1= -0.624274338023D-02
 I=  7 J=  5 K=  6 L=  6 R1= -0.948575267283D-01
 I=  7 J=  6 K=  6 L=  5 R1= -0.141120008296D-01
 I=  7 J=  5 K=  7 L=  2 R1= -0.522881481411D-01
 I=  7 J=  7 K=  5 L=  2 R1= -0.200237395313D-01
 I=  7 J=  7 K=  7 L=  5 R1= -0.896468698525D-01
 I=  6 J=  4 K=  1 L=  1 R1=  0.210361765555D+00
 I=  6 J=  1 K=  4 L=  1 R1= -0.519584996702D-01
 I=  6 J=  4 K=  2 L=  2 R1=  0.169321061815D+00
 I=  6 J=  2 K=  4 L=  2 R1= -0.198358482614D-01
 I=  6 J=  4 K=  6 L=  2 R1=  0.675065401065D-01
 I=  6 J=  6 K=  4 L=  2 R1=  0.258516207555D-01
 I=  7 J=  4 K=  1 L=  1 R1= -0.210361765555D+00
 I=  7 J=  1 K=  4 L=  1 R1=  0.519584996702D-01
 I=  7 J=  4 K=  2 L=  2 R1= -0.169321061815D+00
 I=  7 J=  2 K=  4 L=  2 R1=  0.198358482614D-01
 I=  7 J=  4 K=  6 L=  2 R1= -0.875743923415D-01
 I=  7 J=  2 K=  6 L=  4 R1=  0.875743923415D-01
 I=  7 J=  4 K=  7 L=  1 R1= -0.721308072114D-02
 I=  7 J=  7 K=  4 L=  1 R1= -0.166877634891D-02
 I=  7 J=  6 K=  7 L=  4 R1= -0.647623419364D-01
 I=  7 J=  7 K=  6 L=  4 R1=  0.112399586492D+00
 I=  6 J=  5 K=  1 L=  1 R1= -0.162938689247D+00
 I=  6 J=  1 K=  5 L=  1 R1=  0.402451928904D-01
 I=  6 J=  5 K=  2 L=  2 R1= -0.131150030051D+00
 I=  6 J=  2 K=  5 L=  2 R1=  0.153641376193D-01
 I=  6 J=  5 K=  6 L=  2 R1= -0.522881481411D-01
 I=  6 J=  6 K=  5 L=  2 R1= -0.200237395313D-01
 I=  7 J=  5 K=  1 L=  1 R1= -0.162938689247D+00
 I=  7 J=  1 K=  5 L=  1 R1=  0.402451928904D-01
 I=  7 J=  5 K=  2 L=  2 R1= -0.131150030051D+00
 I=  7 J=  2 K=  5 L=  2 R1=  0.153641376193D-01
 I=  7 J=  5 K=  6 L=  2 R1= -0.511378295657D-01
 I=  7 J=  6 K=  5 L=  2 R1=  0.104653318724D-01
 I=  7 J=  2 K=  6 L=  5 R1= -0.511378295657D-01
 I=  7 J=  5 K=  7 L=  1 R1= -0.558699398171D-02
 I=  7 J=  7 K=  5 L=  1 R1= -0.129257439070D-02
 I=  7 J=  6 K=  7 L=  5 R1= -0.141120008296D-01
 I=  7 J=  7 K=  6 L=  5 R1= -0.948575267283D-01
 I=  2 J=  2 K=  2 L=  1 R1=  0.110308031176D+00
 I=  6 J=  2 K=  2 L=  1 R1=  0.505153703637D-01
 I=  6 J=  1 K=  2 L=  2 R1=  0.164597757748D-01
 I=  6 J=  6 K=  2 L=  1 R1=  0.912026280994D-01
 I=  6 J=  2 K=  6 L=  1 R1= -0.770896188478D-02
 I=  6 J=  6 K=  6 L=  1 R1=  0.143314463275D-01
 I=  6 J=  6 K=  6 L=  6 R1=  0.156396297080D+00
 I=  7 J=  2 K=  2 L=  1 R1=  0.505153703637D-01
 I=  7 J=  1 K=  2 L=  2 R1=  0.164597757748D-01
 I=  7 J=  6 K=  2 L=  1 R1=  0.325047003632D-01
 I=  7 J=  1 K=  6 L=  2 R1=  0.670456220418D-02
 I=  7 J=  2 K=  6 L=  1 R1=  0.670456220418D-02
 I=  7 J=  6 K=  6 L=  1 R1=  0.214743401821D-02
 I=  7 J=  1 K=  6 L=  6 R1=  0.218523267130D-01
 I=  7 J=  6 K=  6 L=  6 R1=  0.883934815487D-01
 I=  7 J=  7 K=  2 L=  1 R1=  0.912026280994D-01
 I=  7 J=  2 K=  7 L=  1 R1= -0.770896188478D-02
 I=  7 J=  7 K=  6 L=  1 R1=  0.218523267130D-01
 I=  7 J=  6 K=  7 L=  1 R1=  0.214743401821D-02
 I=  7 J=  7 K=  6 L=  6 R1=  0.298600001640D+00
 I=  7 J=  6 K=  7 L=  6 R1= -0.157052751631D-01
 I=  7 J=  7 K=  7 L=  2 R1=  0.146946825002D+00
 I=  7 J=  7 K=  7 L=  7 R1=  0.156396297080D+00
 I=  1 J=  1 K=  1 L=  1 R1=  0.120110561024D+01
 I=  2 J=  1 K=  1 L=  1 R1=  0.309752940518D+00
 I=  2 J=  2 K=  1 L=  1 R1=  0.106122894669D+01
 I=  2 J=  1 K=  2 L=  1 R1= -0.101231456717D+00
 I=  2 J=  2 K=  2 L=  2 R1=  0.203259783298D+00
 I=  6 J=  1 K=  1 L=  1 R1=  0.921230856067D-01
 I=  6 J=  2 K=  1 L=  1 R1=  0.423052681966D+00
 I=  6 J=  1 K=  2 L=  1 R1= -0.879709158756D-01
 I=  6 J=  2 K=  2 L=  2 R1=  0.177749662415D+00
 I=  6 J=  6 K=  1 L=  1 R1=  0.506552619619D+00
 I=  6 J=  1 K=  6 L=  1 R1= -0.607567203688D-01
 I=  6 J=  6 K=  2 L=  2 R1=  0.389015052945D+00
 I=  6 J=  2 K=  6 L=  2 R1=  0.790532497103D-02
 I=  6 J=  6 K=  6 L=  2 R1=  0.146946825002D+00
 I=  7 J=  1 K=  1 L=  1 R1=  0.921230856067D-01
 I=  7 J=  2 K=  1 L=  1 R1=  0.423052681966D+00
 I=  7 J=  1 K=  2 L=  1 R1= -0.879709158756D-01
 I=  7 J=  2 K=  2 L=  2 R1=  0.177749662415D+00
 I=  7 J=  6 K=  1 L=  1 R1=  0.216387670052D+00
 I=  7 J=  1 K=  6 L=  1 R1= -0.490183051886D-01
 I=  7 J=  6 K=  2 L=  2 R1=  0.118385119369D+00
 I=  7 J=  2 K=  6 L=  2 R1=  0.693578625660D-01
 I=  7 J=  6 K=  6 L=  2 R1=  0.214325610172D-01
 I=  7 J=  2 K=  6 L=  6 R1=  0.170946677812D+00
 I=  7 J=  7 K=  1 L=  1 R1=  0.506552619619D+00
 I=  7 J=  1 K=  7 L=  1 R1= -0.607567203688D-01
 I=  7 J=  7 K=  2 L=  2 R1=  0.389015052945D+00
 I=  7 J=  2 K=  7 L=  2 R1=  0.790532497103D-02
 I=  7 J=  7 K=  6 L=  2 R1=  0.170946677812D+00
 I=  7 J=  6 K=  7 L=  2 R1=  0.214325610172D-01
 I=  7 J=  7 K=  7 L=  1 R1=  0.143314463275D-01
 I=  7 J=  7 K=  7 L=  6 R1=  0.883934815487D-01
 Leave Link  316 at Wed Aug  8 02:50:23 2018, MaxMem=    33554432 cpu:         0.0
 (Enter /ghome/chihiro/gaussian/g09-d.01/l401.exe)
 Core hamiltonian diagonalized for initial guess.
 JPrj=0 DoOrth=F DoCkMO=F.
 Leave Link  401 at Wed Aug  8 02:50:23 2018, MaxMem=    33554432 cpu:         0.1
 (Enter /ghome/chihiro/gaussian/g09-d.01/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Unsorted integral processing.
 Two-electron integral symmetry not used.
 Two-electron integrals will be kept in memory, NGetB=      151203.
 IVT=      265172 IEndB=      151203 NGot=    33554432 MDV=    33534301
 LenX=    33272157 LenY=    33550522
 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.

 Cycle   1  Pass 1  IDiag  1:
 E= -73.9348694203300    
 DIIS: error= 2.31D-01 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -73.9348694203300     IErMin= 1 ErrMin= 2.31D-01
 ErrMax= 2.31D-01  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.52D-01 BMatP= 4.52D-01
 IDIUse=3 WtCom= 0.00D+00 WtEn= 1.00D+00
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.090 Goal=   None    Shift=    0.000
 GapD=    0.090 DampG=0.500 DampE=0.250 DampFc=0.2500 IDamp=-1.
 Damping current iteration by 2.50D-01
 RMSDP=2.96D-01 MaxDP=9.65D-01              OVMax= 0.00D+00

 Cycle   2  Pass 1  IDiag  1:
 E= -74.2868702559176     Delta-E=       -0.352000835588 Rises=F Damp=T
 DIIS: error= 1.82D-01 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -74.2868702559176     IErMin= 2 ErrMin= 1.82D-01
 ErrMax= 1.82D-01  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-01 BMatP= 4.52D-01
 IDIUse=3 WtCom= 0.00D+00 WtEn= 1.00D+00
 Coeff-Com: -0.385D+01 0.485D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.000D+00 0.100D+01
 Gap=     0.524 Goal=   None    Shift=    0.000
 RMSDP=2.18D-01 MaxDP=6.99D-01 DE=-3.52D-01 OVMax= 0.00D+00

 Cycle   3  Pass 1  IDiag  1:
 E= -75.4477052005695     Delta-E=       -1.160834944652 Rises=F Damp=F
 DIIS: error= 2.27D-02 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -75.4477052005695     IErMin= 3 ErrMin= 2.27D-02
 ErrMax= 2.27D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.49D-03 BMatP= 2.86D-01
 IDIUse=3 WtCom= 7.73D-01 WtEn= 2.27D-01
 Coeff-Com: -0.119D+01 0.156D+01 0.629D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.922D+00 0.121D+01 0.714D+00
 Gap=     0.920 Goal=   None    Shift=    0.000
 RMSDP=1.84D-02 MaxDP=5.24D-02 DE=-1.16D+00 OVMax= 0.00D+00

 Cycle   4  Pass 1  IDiag  1:
 E= -75.4546421010553     Delta-E=       -0.006936900486 Rises=F Damp=F
 DIIS: error= 5.00D-03 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -75.4546421010553     IErMin= 4 ErrMin= 5.00D-03
 ErrMax= 5.00D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-04 BMatP= 4.49D-03
 IDIUse=3 WtCom= 9.50D-01 WtEn= 5.00D-02
 Coeff-Com: -0.287D+00 0.324D+00-0.116D+00 0.108D+01
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.272D+00 0.308D+00-0.110D+00 0.107D+01
 Gap=     0.897 Goal=   None    Shift=    0.000
 RMSDP=4.30D-03 MaxDP=1.85D-02 DE=-6.94D-03 OVMax= 0.00D+00

 Cycle   5  Pass 1  IDiag  1:
 E= -75.4550860713347     Delta-E=       -0.000443970279 Rises=F Damp=F
 DIIS: error= 1.88D-03 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -75.4550860713347     IErMin= 5 ErrMin= 1.88D-03
 ErrMax= 1.88D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-05 BMatP= 2.60D-04
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.88D-02
 Coeff-Com: -0.285D-01 0.468D-01 0.473D-01-0.631D+00 0.157D+01
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.280D-01 0.460D-01 0.464D-01-0.620D+00 0.156D+01
 Gap=     0.879 Goal=   None    Shift=    0.000
 RMSDP=2.19D-03 MaxDP=7.65D-03 DE=-4.44D-04 OVMax= 0.00D+00

 Cycle   6  Pass 1  IDiag  1:
 E= -75.4551512621702     Delta-E=       -0.000065190835 Rises=F Damp=F
 DIIS: error= 3.42D-04 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -75.4551512621702     IErMin= 6 ErrMin= 3.42D-04
 ErrMax= 3.42D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.49D-07 BMatP= 2.49D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.42D-03
 Coeff-Com:  0.390D-01-0.522D-01-0.174D-01 0.163D+00-0.645D+00 0.151D+01
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.389D-01-0.520D-01-0.173D-01 0.162D+00-0.643D+00 0.151D+01
 Gap=     0.878 Goal=   None    Shift=    0.000
 RMSDP=7.21D-04 MaxDP=2.18D-03 DE=-6.52D-05 OVMax= 0.00D+00

 Cycle   7  Pass 1  IDiag  1:
 E= -75.4551541441599     Delta-E=       -0.000002881990 Rises=F Damp=F
 DIIS: error= 1.61D-04 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -75.4551541441599     IErMin= 7 ErrMin= 1.61D-04
 ErrMax= 1.61D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-07 BMatP= 9.49D-07
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.61D-03
 Coeff-Com: -0.282D-02 0.383D-02 0.326D-03 0.213D-01 0.432D-01-0.180D+00
 Coeff-Com:  0.111D+01
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00
 Coeff-En:   0.100D+01
 Coeff:     -0.282D-02 0.382D-02 0.325D-03 0.213D-01 0.431D-01-0.180D+00
 Coeff:      0.111D+01
 Gap=     0.879 Goal=   None    Shift=    0.000
 RMSDP=1.68D-04 MaxDP=7.10D-04 DE=-2.88D-06 OVMax= 0.00D+00

 Cycle   8  Pass 1  IDiag  1:
 E= -75.4551544821391     Delta-E=       -0.000000337979 Rises=F Damp=F
 DIIS: error= 1.25D-05 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -75.4551544821391     IErMin= 8 ErrMin= 1.25D-05
 ErrMax= 1.25D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-09 BMatP= 2.23D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.385D-04 0.522D-04 0.190D-04 0.228D-03 0.137D-02-0.542D-02
 Coeff-Com:  0.867D-01 0.917D+00
 Coeff:     -0.385D-04 0.522D-04 0.190D-04 0.228D-03 0.137D-02-0.542D-02
 Coeff:      0.867D-01 0.917D+00
 Gap=     0.879 Goal=   None    Shift=    0.000
 RMSDP=1.18D-05 MaxDP=4.90D-05 DE=-3.38D-07 OVMax= 0.00D+00

 Cycle   9  Pass 1  IDiag  1:
 E= -75.4551544841915     Delta-E=       -0.000000002052 Rises=F Damp=F
 DIIS: error= 1.74D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -75.4551544841915     IErMin= 9 ErrMin= 1.74D-07
 ErrMax= 1.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-13 BMatP= 1.35D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved=  9 BigCof=    0.00 CofMax=   10.00 Det= 4.94D-25
 Inversion failed.  Reducing to  8 matrices.
 Coeff-Com:  0.898D-09-0.907D-07 0.196D-05-0.134D-04 0.504D-04-0.130D-02
 Coeff-Com: -0.314D-01 0.103D+01
 Coeff:      0.898D-09-0.907D-07 0.196D-05-0.134D-04 0.504D-04-0.130D-02
 Coeff:     -0.314D-01 0.103D+01
 Gap=     0.879 Goal=   None    Shift=    0.000
 RMSDP=1.62D-07 MaxDP=6.73D-07 DE=-2.05D-09 OVMax= 0.00D+00

 Cycle  10  Pass 1  IDiag  1:
 E= -75.4551544841918     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 3.88D-11 at cycle  10 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -75.4551544841918     IErMin= 9 ErrMin= 3.88D-11
 ErrMax= 3.88D-11  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-20 BMatP= 2.64D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved=  9 BigCof=    0.00 CofMax=   10.00 Det= 5.74D-28
 Inversion failed.  Reducing to  8 matrices.
 Coeff-Com:  0.215D-10 0.140D-09 0.236D-08-0.128D-07 0.176D-06-0.917D-04
 Coeff-Com:  0.685D-02 0.993D+00
 Coeff:      0.215D-10 0.140D-09 0.236D-08-0.128D-07 0.176D-06-0.917D-04
 Coeff:      0.685D-02 0.993D+00
 Gap=     0.879 Goal=   None    Shift=    0.000
 RMSDP=3.37D-11 MaxDP=1.03D-10 DE=-3.41D-13 OVMax= 0.00D+00

 SCF Done:  E(RHF) =  -75.4551544842     A.U. after   10 cycles
            NFock= 10  Conv=0.34D-10     -V/T= 1.9993
 KE= 7.550509591429D+01 PE=-1.979017275965D+02 EE= 3.775194347555D+01
 Leave Link  502 at Wed Aug  8 02:50:23 2018, MaxMem=    33554432 cpu:         0.2
 (Enter /ghome/chihiro/gaussian/g09-d.01/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

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

            Population analysis using the SCF density.

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

 Alpha  occ. eigenvalues --  -20.36905  -1.34424  -0.68059  -0.54882  -0.50366
 Alpha virt. eigenvalues --    0.37537   0.52390
     Molecular Orbital Coefficients:
                           1         2         3         4         5
                           O         O         O         O         O
     Eigenvalues --   -20.36905  -1.34424  -0.68059  -0.54882  -0.50366
   1 1   O  1S          0.99048  -0.22013   0.00000  -0.08492   0.00000
   2        2S          0.05004   0.85786   0.00000   0.47880   0.00000
   3        3PX         0.00000   0.00000   0.00000   0.00000   1.00000
   4        3PY         0.00000   0.00000   0.64601   0.00000   0.00000
   5        3PZ        -0.00782  -0.15907   0.00000   0.83275   0.00000
   6 2   H  1S         -0.01266   0.11946   0.42962  -0.21147   0.00000
   7 3   H  1S         -0.01266   0.11946  -0.42962  -0.21147   0.00000
                           6         7
                           V         V
     Eigenvalues --     0.37537   0.52390
   1 1   O  1S         -0.12045   0.00000
   2        2S          0.94826   0.00000
   3        3PX         0.00000   0.00000
   4        3PY         0.00000   1.02399
   5        3PZ        -0.67325   0.00000
   6 2   H  1S         -0.81190  -0.99101
   7 3   H  1S         -0.81190   0.99101
          Condensed to atoms (all electrons):
               1          2          3
     1  O    8.134990   0.269156   0.269156
     2  H    0.269156   0.487444  -0.093250
     3  H    0.269156  -0.093250   0.487444
 Mulliken charges:
               1
     1  O   -0.673301
     2  H    0.336651
     3  H    0.336651
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O    0.000000
 Electronic spatial extent (au):  <R**2>=             19.8661
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=             -2.1872  Tot=              2.1872
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.2780   YY=             -5.0345   ZZ=             -6.2567
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.0882   YY=              1.1552   ZZ=             -0.0670
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=             -0.2895  XYY=              0.0000
  XXY=              0.0000  XXZ=              0.0259  XZZ=              0.0000  YZZ=              0.0000
  YYZ=             -0.7939  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=             -4.9541 YYYY=             -8.9900 ZZZZ=             -6.6519 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -2.5312 XXZZ=             -1.9816 YYZZ=             -2.3170
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 9.189533722473D+00 E-N=-1.979017275973D+02  KE= 7.550509591429D+01
 Orbital energies and kinetic energies (alpha):
                                 1                 2
   1         O               -20.369055         28.904285
   2         O                -1.344237          2.561195
   3         O                -0.680592          1.446148
   4         O                -0.548824          2.332247
   5         O                -0.503664          2.508673
   6         V                 0.375367          2.497066
   7         V                 0.523898          2.697777
 Total kinetic energy from orbitals= 7.550509591429D+01
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Aug  8 02:50:24 2018, MaxMem=    33554432 cpu:         0.2
 (Enter /ghome/chihiro/gaussian/g09-d.01/l9999.exe)

 Test job not archived.
 1\1\GINC-SRI\SP\RHF\Gen\H2O1\chihiro\08-Aug-2018\0\\#P RHF/Gen Guess=C
 ore 6D 10F SCF(Conventional) # Gfinput IOp(6/7=3,3/33=6) # ExtraLinks=
 L316 Symmetry=None # Units(Ang,Deg)\\water w/ all electrons\\0,1\O,0,0
 .,0.,0.1173\H,0,0.,0.7572,-0.4692\H,0,0.,-0.7572,-0.4692\\Version=EM64
 L-G09RevD.01\HF=-75.4551545\RMSD=3.371e-11\Dipole=0.,0.,-0.8605157\Qua
 drupole=-0.8090591,0.8588616,-0.0498025,0.,0.,0.\PG=Unknown\\@


      THE ONE-EYED VIEW OF OUR UNIVERSE SAYS YOU MUST NOT LOOK
      FAR AFIELD FOR PROBLEMS.  SUCH PROBLEMS MAY NEVER ARRIVE. 
      INSTEAD, TEND TO THE WOLF WITHIN YOUR FENCES.
      THE PACKS RANGING OUTSIDE MAY NOT EVEN EXIST.

                              -- THE AZHAR BOOK SHAMRA I:4
                                 CHILDREN OF DUNE, BY FRANK HERBERT
 Job cpu time:       0 days  0 hours  0 minutes  1.4 seconds.
 File lengths (MBytes):  RWF=      5 Int=      1 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 09 at Wed Aug  8 02:50:24 2018.