File: MoOCl4-sp.out

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----- GAMESS execution script 'rungms' -----
This job is running on host firzens
under operating system Linux at Mon Aug 14 12:30:10 IST 2017
Available scratch disk space (Kbyte units) at beginning of the job is
Filesystem     1K-blocks      Used Available Use% Mounted on
/dev/sda11     254243428 112974864 128330684  47% /
GAMESS temporary binary files will be written to /scr/sagar
GAMESS supplementary output files will be written to /home/sagar/gamess/scratch
Copying input file MoOCl4-sp.inp to your run's scratch directory...
 
Assuming a single but multicore node.
 

 Distributed Data Interface kickoff program.
 Initiating 4 compute processes on 1 nodes to run the following command:
 /home/sagar/gamess/gamess.02.x MoOCl4-sp 

          ******************************************************
          *         GAMESS VERSION = 20 APR 2017 (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        4 PROCESSORS IN        1 NODES.

 EXECUTION OF GAMESS BEGUN Mon Aug 14 12:30:10 2017

            ECHO OF THE FIRST FEW INPUT CARDS -
 INPUT CARD> $contrl coord=unique units=angs nprint=3                                       
 INPUT CARD>         runtyp=energy scftyp=rhf dfttyp=b3lyp                                  
 INPUT CARD>         icharg=-2 mult=1                                                       
 INPUT CARD>         pp=read aimpac=.t. $end                                                
 INPUT CARD> $data                                                                          
 INPUT CARD>Mo4OCl4 - 6-31(d) for O; LANL2DZ ECP for Mo & Cl                                
 INPUT CARD>C1 1                                                                            
 INPUT CARD> Mo 42      0.000325    -0.000325     0.051810                                  
 INPUT CARD>  S     3                                                                       
 INPUT CARD>    1               2.3610000             -0.9121760                            
 INPUT CARD>    2               1.3090000              1.1477453                            
 INPUT CARD>    3               0.4500000              0.6097109                            
 INPUT CARD>  S     4                                                                       
 INPUT CARD>    1               2.3610000              0.8139259                            
 INPUT CARD>    2               1.3090000             -1.1360084                            
 INPUT CARD>    3               0.4500000             -1.1611592                            
 INPUT CARD>    4               0.1681000              1.0064786                            
 INPUT CARD>  S     1                                                                       
 INPUT CARD>    1               0.0423000              1.0000000                            
 INPUT CARD>  P     3                                                                       
 INPUT CARD>    1               4.8950000             -0.0908258                            
 INPUT CARD>    2               1.0440000              0.7042899                            
 INPUT CARD>    3               0.3877000              0.3973179                            
 INPUT CARD>  P     2                                                                       
 INPUT CARD>    1               0.4995000             -0.1081945                            
 INPUT CARD>    2               0.0780000              1.0368093                            
 INPUT CARD>  P     1                                                                       
 INPUT CARD>    1               0.0247000              1.0000000                            
 INPUT CARD>  D     3                                                                       
 INPUT CARD>    1               2.9930000              0.0527063                            
 INPUT CARD>    2               1.0630000              0.5003907                            
 INPUT CARD>    3               0.3721000              0.5794024                            
 INPUT CARD>  D     1                                                                       
 INPUT CARD>    1               0.1178000              1.0000000                            
 INPUT CARD>                                                                                
 INPUT CARD>  O   8      0.000206    -0.000206     1.741504                                 
 INPUT CARD>  S     6                                                                       
 INPUT CARD>    1            5484.6717000              0.0018311                            
 INPUT CARD>    2             825.2349500              0.0139501                            
 INPUT CARD>    3             188.0469600              0.0684451                            
 INPUT CARD>    4              52.9645000              0.2327143                            
 INPUT CARD>    5              16.8975700              0.4701930                            
 INPUT CARD>    6               5.7996353              0.3585209                            
 INPUT CARD>  L     3                                                                       
 INPUT CARD>    1              15.5396160             -0.1107775              0.0708743     
 INPUT CARD>    2               3.5999336             -0.1480263              0.3397528     
 INPUT CARD>    3               1.0137618              1.1307670              0.7271586     
 INPUT CARD>  L     1                                                                       
 INPUT CARD>    1               0.2700058              1.0000000              1.0000000     
 INPUT CARD>  D     1                                                                       
    1000000 WORDS OF MEMORY AVAILABLE


     RUN TITLE
     ---------
 Mo4OCl4 - 6-31(d) for O; LANL2DZ ECP for Mo & Cl                                

 THE POINT GROUP OF THE MOLECULE IS C1      
 THE ORDER OF THE PRINCIPAL AXIS IS     1

 ATOM      ATOMIC                      COORDINATES (BOHR)
           CHARGE         X                   Y                   Z
 MO         42.0     0.0006141609       -0.0006141609        0.0979067034
 O           8.0     0.0003892836       -0.0003892836        3.2909653665
 CL         17.0     3.2346949958       -3.2346949958       -1.2469281341
 CL         17.0    -3.2333060472       -3.2347157828       -1.2473684402
 CL         17.0    -3.2333287239        3.2333287239       -1.2478068567
 CL         17.0     3.2347157828        3.2333060472       -1.2473684402

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

                1 MO         2 O          3 CL         4 CL         5 CL    

   1 MO      0.0000000    1.6896940 *  2.5227461 *  2.5227616 *  2.5227783 *
   2 O       1.6896940 *  0.0000000    3.4095586    3.4095661    3.4095740  
   3 CL      2.5227461 *  3.4095586    0.0000000    3.4227190    4.8404726  
   4 CL      2.5227616 *  3.4095661    3.4227190    0.0000000    3.4227420  
   5 CL      2.5227783 *  3.4095740    4.8404726    3.4227420    0.0000000  
   6 CL      2.5227616 *  3.4095661    3.4227190    4.8404712    3.4227420  

                6 CL    

   1 MO      2.5227616 *
   2 O       3.4095661  
   3 CL      3.4227190  
   4 CL      4.8404712  
   5 CL      3.4227420  
   6 CL      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)

 MO        

      1   S       1             2.3610000   -0.912175978668
      1   S       2             1.3090000    1.147745273160
      1   S       3             0.4500000    0.609710885742

      2   S       4             2.3610000    0.813925841506
      2   S       5             1.3090000   -1.136008318359
      2   S       6             0.4500000   -1.161159116552
      2   S       7             0.1681000    1.006478527668

      3   S       8             0.0423000    1.000000000000

      4   P       9             4.8950000   -0.090825799574
      4   P      10             1.0440000    0.704289896698
      4   P      11             0.3877000    0.397317898137

      5   P      12             0.4995000   -0.108194499250
      5   P      13             0.0780000    1.036809292817

      6   P      14             0.0247000    1.000000000000

      7   D      15             2.9930000    0.052706300090
      7   D      16             1.0630000    0.500390700852
      7   D      17             0.3721000    0.579402400987

      8   D      18             0.1178000    1.000000000000

 O         

      9   S      19          5484.6717000    0.001831099806
      9   S      20           825.2349500    0.013950098518
      9   S      21           188.0469600    0.068445092731
      9   S      22            52.9645000    0.232714275284
      9   S      23            16.8975700    0.470192950063
      9   S      24             5.7996353    0.358520861923

     10   L      25            15.5396160   -0.110777503825    0.070874299543
     10   L      26             3.5999336   -0.148026305111    0.339752797811
     10   L      27             1.0137618    1.130767039045    0.727158595314

     11   L      28             0.2700058    1.000000000000    1.000000000000

     12   D      29             0.8000000    1.000000000000

 CL        

     13   S      30             2.2310000   -0.490058908885
     13   S      31             0.4720000    1.254268422740

     14   S      32             0.1631000    1.000000000000

     15   P      33             6.2960000   -0.063564097920
     15   P      34             0.6333000    1.014135466809

     16   P      35             0.1819000    1.000000000000

 CL        

     17   S      36             2.2310000   -0.490058908885
     17   S      37             0.4720000    1.254268422740

     18   S      38             0.1631000    1.000000000000

     19   P      39             6.2960000   -0.063564097920
     19   P      40             0.6333000    1.014135466809

     20   P      41             0.1819000    1.000000000000

 CL        

     21   S      42             2.2310000   -0.490058908885
     21   S      43             0.4720000    1.254268422740

     22   S      44             0.1631000    1.000000000000

     23   P      45             6.2960000   -0.063564097920
     23   P      46             0.6333000    1.014135466809

     24   P      47             0.1819000    1.000000000000

 CL        

     25   S      48             2.2310000   -0.490058908885
     25   S      49             0.4720000    1.254268422740

     26   S      50             0.1631000    1.000000000000

     27   P      51             6.2960000   -0.063564097920
     27   P      52             0.6333000    1.014135466809

     28   P      53             0.1819000    1.000000000000

 TOTAL NUMBER OF BASIS SET SHELLS             =   28
 NUMBER OF CARTESIAN GAUSSIAN BASIS FUNCTIONS =   71
 NUMBER OF ELECTRONS                          =  120
 CHARGE OF MOLECULE                           =   -2
 SPIN MULTIPLICITY                            =    1
 NUMBER OF OCCUPIED ORBITALS (ALPHA)          =   60
 NUMBER OF OCCUPIED ORBITALS (BETA )          =   60
 TOTAL NUMBER OF ATOMS                        =    6
 THE NUCLEAR REPULSION ENERGY IS     1030.6510713211
 NOTE THIS RUN IS USING CORE POTENTIALS, AND THE NUMBER OF ELECTRONS,
 OCCUPIED ORBITALS, AND NUCLEAR REPULSION ENERGY WILL BE ADJUSTED BELOW
 AFTER REMOVAL OF THE CORE CHARGES.

     LEBEDEV GRID-BASED DFT OPTIONS
     ------------------------------
     DFTTYP=B3LYP   
     NRAD  =      96     NLEB  =     302
     NRAD0 =      24     NLEB0 =     110
     SWOFF =    5.00E-03 (PURE SCF -> DFT)
     SWITCH=    3.00E-04 (COARSE -> TIGHT GRID)
     THRESH=    0.00E+00 GTHRE=    1.00E+00

 GRIMME'S EMPIRICAL DISPERSION CORRECTION= F

     $CONTRL OPTIONS
     ---------------
 SCFTYP=RHF          RUNTYP=ENERGY       EXETYP=RUN     
 MPLEVL=       0     CITYP =NONE         CCTYP =NONE         VBTYP =NONE    
 DFTTYP=B3LYP        TDDFT =NONE    
 MULT  =       1     ICHARG=      -2     NZVAR =       0     COORD =UNIQUE  
 PP    =READ         RELWFN=NONE         LOCAL =NONE         NUMGRD=       F
 ISPHER=      -1     NOSYM =       0     MAXIT =      30     UNITS =ANGS    
 PLTORB=       F     MOLPLT=       F     AIMPAC=       T     FRIEND=        
 NPRINT=       3     IREST =       0     GEOM  =INPUT   
 NORMF =       0     NORMP =       0     ITOL  =      20     ICUT  =       9
 INTTYP=BEST         GRDTYP=BEST         QMTTOL= 1.0E-06

     $SYSTEM OPTIONS
     ---------------
  REPLICATED MEMORY=     1000000 WORDS (ON EVERY NODE).
 DISTRIBUTED MEMDDI=           0 MILLION WORDS IN AGGREGATE,
 MEMDDI DISTRIBUTED OVER   4 PROCESSORS IS           0 WORDS/PROCESSOR.
 TOTAL MEMORY REQUESTED ON EACH PROCESSOR=     1000000 WORDS.
 TIMLIM=      525600.00 MINUTES, OR     365.0 DAYS.
 PARALL= T  BALTYP=  DLB     KDIAG=    0  COREFL= F
 MXSEQ2=     300 MXSEQ3=     150  mem10=         0

          --------------
          ECP POTENTIALS
          --------------

 PARAMETERS FOR "MO-ECP  " ON ATOM    1 WITH ZCORE  28 AND LMAX  3 ARE
 FOR L= 3      COEFF    N           ZETA
    1       -0.04695    0      537.96678
    2      -20.20801    1      147.89829
    3     -106.21163    2       45.73589
    4      -41.81074    2       13.29115
    5       -4.20541    2        4.70600
 FOR L= 0      COEFF    N           ZETA
    1        2.80637    0      110.29918
    2       44.51620    1       23.20146
    3       82.77852    2        5.35301
 FOR L= 1      COEFF    N           ZETA
    1        4.94209    0       63.29014
    2       25.86050    1       23.33153
    3      132.47087    2       24.67594
    4       57.31498    2        4.64930
 FOR L= 2      COEFF    N           ZETA
    1        3.00546    0      104.48400
    2       26.36379    1       66.23072
    3      183.38492    2       39.12832
    4       98.44531    2       13.11644
    5       22.49014    2        3.62803

 PARAMETERS FOR "CL-ECP  " ON ATOM    3 WITH ZCORE  10 AND LMAX  2 ARE
 FOR L= 2      COEFF    N           ZETA
    1      -10.00000    1       94.81300
    2       66.27292    2      165.64400
    3      -28.96860    2       30.83170
    4      -12.86634    2       10.58410
    5       -1.71022    2        3.77040
 FOR L= 0      COEFF    N           ZETA
    1        3.00000    0      128.83910
    2       12.85285    1      120.37860
    3      275.67240    2       63.56220
    4      115.67771    2       18.06950
    5       35.06061    2        3.81420
 FOR L= 1      COEFF    N           ZETA
    1        5.00000    0      216.52630
    2        7.47949    1       46.57230
    3      613.03200    2      147.46850
    4      280.80068    2       48.98690
    5      107.87882    2       13.20960
    6       15.34396    2        3.18310

 PARAMETERS FOR "CL-ECP  " ON ATOM    4 ARE THE SAME AS ATOM   3

 PARAMETERS FOR "CL-ECP  " ON ATOM    5 ARE THE SAME AS ATOM   3

 PARAMETERS FOR "CL-ECP  " ON ATOM    6 ARE THE SAME AS ATOM   3

 THE ECP RUN REMOVES   68 CORE ELECTRONS, AND THE SAME NUMBER OF PROTONS.
 NUMBER OF ELECTRONS KEPT IN THE CALCULATION IS =   52
 NUMBER OF OCCUPIED ORBITALS (ALPHA) KEPT IS    =   26
 NUMBER OF OCCUPIED ORBITALS (BETA ) KEPT IS    =   26
 THE ADJUSTED NUCLEAR REPULSION ENERGY=      193.0846777663
          ECP ANGULAR INTS.........     0.00 SECONDS

          ----------------
          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
          DIIS IN EFFECT
 ORBITAL PRINTING OPTION: NPREO=     1    71     2     1

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

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

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

     DIMENSIONS OF THE SYMMETRY SUBSPACES ARE
 A   =   71

 ..... DONE SETTING UP THE RUN .....
 CPU     0: STEP CPU TIME=     0.02 TOTAL CPU TIME=        0.0 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  33.33%

          ********************
          1 ELECTRON INTEGRALS
          ********************
 OVERLAP MATRIX

                      1          2          3          4          5

    1  MO 1  S    1.000000
    2  MO 1  S   -0.803643   1.000000
    3  MO 1  S    0.368726   0.111323   1.000000
    4  MO 1  X    0.000000   0.000000   0.000000   1.000000
    5  MO 1  Y   -0.000000  -0.000000   0.000000  -0.000000   1.000000
    6  MO 1  Z   -0.000000   0.000000   0.000000   0.000000  -0.000000
    7  MO 1  X    0.000000  -0.000000  -0.000000   0.226252   0.000000
    8  MO 1  Y   -0.000000   0.000000   0.000000   0.000000   0.226252
    9  MO 1  Z   -0.000000   0.000000  -0.000000  -0.000000   0.000000
   10  MO 1  X    0.000000  -0.000000   0.000000   0.095833   0.000000
   11  MO 1  Y   -0.000000   0.000000   0.000000   0.000000   0.095833
   12  MO 1  Z    0.000000  -0.000000   0.000000   0.000000   0.000000
   13  MO 1 XX    0.660336  -0.340876   0.421930   0.000000   0.000000
   14  MO 1 YY    0.660336  -0.340876   0.421930  -0.000000   0.000000
   15  MO 1 ZZ    0.660336  -0.340876   0.421930  -0.000000   0.000000
   16  MO 1 XY   -0.000000   0.000000  -0.000000   0.000000  -0.000000
   17  MO 1 XZ    0.000000  -0.000000   0.000000  -0.000000   0.000000
   18  MO 1 YZ   -0.000000   0.000000   0.000000   0.000000  -0.000000
   19  MO 1 XX    0.137467   0.232708   0.703551   0.000000   0.000000
   20  MO 1 YY    0.137467   0.232708   0.703551   0.000000   0.000000
   21  MO 1 ZZ    0.137467   0.232708   0.703551   0.000000   0.000000
   22  MO 1 XY    0.000000  -0.000000   0.000000   0.000000   0.000000
   23  MO 1 XZ   -0.000000   0.000000   0.000000   0.000000   0.000000
   24  MO 1 YZ    0.000000  -0.000000   0.000000   0.000000   0.000000
   25  O  2  S    0.001876   0.018822   0.028236  -0.000001   0.000001
   26  O  2  S    0.027693   0.093226   0.171561  -0.000005   0.000005
   27  O  2  X    0.000003   0.000002   0.000002   0.016332   0.000000
   28  O  2  Y   -0.000003  -0.000002  -0.000002   0.000000   0.016332
   29  O  2  Z   -0.041797  -0.026319  -0.033604   0.000008  -0.000008
   30  O  2  S    0.144042   0.094484   0.389968  -0.000014   0.000014
   31  O  2  X    0.000022  -0.000007   0.000012   0.120805   0.000000
   32  O  2  Y   -0.000022   0.000007  -0.000012   0.000000   0.120805
   33  O  2  Z   -0.317595   0.094722  -0.175272   0.000031  -0.000031
   34  O  2 XX    0.025041   0.108243   0.210192   0.000001   0.000004
   35  O  2 YY    0.025041   0.108243   0.210192  -0.000004  -0.000001
   36  O  2 ZZ    0.132154   0.024015   0.219297  -0.000022   0.000022
   37  O  2 XY   -0.000000   0.000000  -0.000000  -0.000005   0.000005
   38  O  2 XZ   -0.000013   0.000010  -0.000001  -0.065858  -0.000000
   39  O  2 YZ    0.000013  -0.000010   0.000001  -0.000000  -0.065858
   40  CL 3  S    0.004384   0.049118   0.184618   0.009450  -0.009450
   41  CL 3  S    0.044670   0.077671   0.339008   0.044590  -0.044590
   42  CL 3  X   -0.003466  -0.033009  -0.044590  -0.006986   0.008652
   43  CL 3  Y    0.003466   0.033009   0.044590   0.008652  -0.006986
   44  CL 3  Z    0.001441   0.013726   0.018542   0.003598  -0.003598
   45  CL 3  X   -0.074784  -0.057347  -0.165152  -0.051321   0.080064
   46  CL 3  Y    0.074784   0.057347   0.165152   0.080064  -0.051321
   47  CL 3  Z    0.031098   0.023847   0.068675   0.033293  -0.033293
   48  CL 4  S    0.004383   0.049117   0.184616  -0.009449  -0.009449
   49  CL 4  S    0.044668   0.077670   0.339005  -0.044586  -0.044588
   50  CL 4  X    0.003466   0.033006   0.044588  -0.006985  -0.008651
   51  CL 4  Y    0.003466   0.033008   0.044590  -0.008651  -0.006986
   52  CL 4  Z    0.001442   0.013730   0.018548  -0.003599  -0.003599
   53  CL 4  X    0.074778   0.057344   0.165142  -0.051312  -0.080057
   54  CL 4  Y    0.074782   0.057348   0.165151  -0.080057  -0.051321
   55  CL 4  Z    0.031107   0.023855   0.068697  -0.033301  -0.033303
   56  CL 5  S    0.004383   0.049115   0.184614  -0.009448   0.009448
   57  CL 5  S    0.044667   0.077669   0.339001  -0.044584   0.044584
   58  CL 5  X    0.003465   0.033005   0.044587  -0.006984   0.008650
   59  CL 5  Y   -0.003465  -0.033005  -0.044587   0.008650  -0.006984
   60  CL 5  Z    0.001442   0.013734   0.018554  -0.003600   0.003600
   61  CL 5  X    0.074775   0.057345   0.165141  -0.051311   0.080051
   62  CL 5  Y   -0.074775  -0.057345  -0.165141   0.080051  -0.051311
   63  CL 5  Z    0.031116   0.023863   0.068719  -0.033311   0.033311
   64  CL 6  S    0.004383   0.049117   0.184616   0.009449   0.009449
   65  CL 6  S    0.044668   0.077670   0.339005   0.044588   0.044586
   66  CL 6  X   -0.003466  -0.033008  -0.044590  -0.006986  -0.008651
   67  CL 6  Y   -0.003466  -0.033006  -0.044588  -0.008651  -0.006985
   68  CL 6  Z    0.001442   0.013730   0.018548   0.003599   0.003599
   69  CL 6  X   -0.074782  -0.057348  -0.165151  -0.051321  -0.080057
   70  CL 6  Y   -0.074778  -0.057344  -0.165142  -0.080057  -0.051312
   71  CL 6  Z    0.031107   0.023855   0.068697   0.033303   0.033301

                      6          7          8          9         10

    6  MO 1  Z    1.000000
    7  MO 1  X   -0.000000   1.000000
    8  MO 1  Y    0.000000  -0.000000   1.000000
    9  MO 1  Z    0.226252   0.000000  -0.000000   1.000000
   10  MO 1  X    0.000000   0.687736   0.000000   0.000000   1.000000
   11  MO 1  Y    0.000000   0.000000   0.687736   0.000000   0.000000
   12  MO 1  Z    0.095833   0.000000   0.000000   0.687736   0.000000
   13  MO 1 XX   -0.000000   0.000000  -0.000000   0.000000   0.000000
   14  MO 1 YY   -0.000000   0.000000   0.000000   0.000000   0.000000
   15  MO 1 ZZ   -0.000000   0.000000  -0.000000   0.000000   0.000000
   16  MO 1 XY    0.000000  -0.000000   0.000000  -0.000000   0.000000
   17  MO 1 XZ   -0.000000   0.000000  -0.000000   0.000000   0.000000
   18  MO 1 YZ    0.000000  -0.000000   0.000000  -0.000000   0.000000
   19  MO 1 XX    0.000000   0.000000   0.000000  -0.000000   0.000000
   20  MO 1 YY    0.000000  -0.000000   0.000000  -0.000000   0.000000
   21  MO 1 ZZ    0.000000  -0.000000   0.000000   0.000000   0.000000
   22  MO 1 XY    0.000000   0.000000  -0.000000   0.000000   0.000000
   23  MO 1 XZ    0.000000  -0.000000   0.000000  -0.000000   0.000000
   24  MO 1 YZ    0.000000   0.000000  -0.000000   0.000000   0.000000
   25  O  2  S    0.007565  -0.000004   0.000004   0.055846  -0.000002
   26  O  2  S    0.072707  -0.000022   0.000022   0.308449  -0.000010
   27  O  2  X    0.000008   0.073697   0.000000   0.000007   0.032161
   28  O  2  Y   -0.000008   0.000000   0.073697  -0.000007   0.000000
   29  O  2  Z   -0.091844   0.000007  -0.000007  -0.022727   0.000001
   30  O  2  S    0.200436  -0.000040   0.000040   0.562858  -0.000021
   31  O  2  X    0.000031   0.339239   0.000000   0.000027   0.181547
   32  O  2  Y   -0.000031   0.000000   0.339239  -0.000027   0.000000
   33  O  2  Z   -0.321906   0.000027  -0.000027  -0.041654   0.000006
   34  O  2 XX    0.062163  -0.000021   0.000025   0.359754  -0.000011
   35  O  2 YY    0.062163  -0.000025   0.000021   0.359754  -0.000012
   36  O  2 ZZ    0.237444  -0.000027   0.000027   0.316175  -0.000012
   37  O  2 XY   -0.000000  -0.000004   0.000004  -0.000000  -0.000001
   38  O  2 XZ   -0.000026  -0.052614  -0.000000   0.000002  -0.009092
   39  O  2 YZ    0.000026  -0.000000  -0.052614  -0.000002  -0.000000
   40  CL 3  S   -0.003930   0.220702  -0.220702  -0.091775   0.176888
   41  CL 3  S   -0.018542   0.339693  -0.339693  -0.141255   0.301316
   42  CL 3  X    0.003598  -0.029248   0.095774   0.039826   0.026367
   43  CL 3  Y   -0.003598   0.095774  -0.029248  -0.039826   0.026076
   44  CL 3  Z    0.000170   0.039826  -0.039826   0.049965   0.010843
   45  CL 3  X    0.033293  -0.027356   0.264688   0.110066   0.112778
   46  CL 3  Y   -0.033293   0.264688  -0.027356  -0.110066   0.094123
   47  CL 3  Z    0.014898   0.110066  -0.110066   0.191563   0.039139
   48  CL 4  S   -0.003931  -0.220687  -0.220699  -0.091803  -0.176878
   49  CL 4  S   -0.018547  -0.339672  -0.339691  -0.141300  -0.301299
   50  CL 4  X   -0.003599  -0.029238  -0.095768  -0.039836   0.026370
   51  CL 4  Y   -0.003599  -0.095768  -0.029248  -0.039839  -0.026075
   52  CL 4  Z    0.000169  -0.039836  -0.039839   0.049954  -0.010846
   53  CL 4  X   -0.033301  -0.027329  -0.264672  -0.110095   0.112787
   54  CL 4  Y   -0.033303  -0.264672  -0.027359  -0.110101  -0.094118
   55  CL 4  Z    0.014888  -0.110095  -0.110101   0.191530  -0.039150
   56  CL 5  S   -0.003932  -0.220684   0.220684  -0.091832  -0.176878
   57  CL 5  S   -0.018553  -0.339669   0.339669  -0.141344  -0.301299
   58  CL 5  X   -0.003600  -0.029239   0.095762  -0.039849   0.026369
   59  CL 5  Y    0.003600   0.095762  -0.029239   0.039849   0.026074
   60  CL 5  Z    0.000168  -0.039849   0.039849   0.049942  -0.010850
   61  CL 5  X   -0.033311  -0.027332   0.264657  -0.110130   0.112785
   62  CL 5  Y    0.033311   0.264657  -0.027332   0.110130   0.094113
   63  CL 5  Z    0.014879  -0.110130   0.110130   0.191497  -0.039163
   64  CL 6  S   -0.003931   0.220699   0.220687  -0.091803   0.176888
   65  CL 6  S   -0.018547   0.339691   0.339672  -0.141300   0.301316
   66  CL 6  X    0.003599  -0.029248  -0.095768   0.039839   0.026367
   67  CL 6  Y    0.003599  -0.095768  -0.029238   0.039836  -0.026075
   68  CL 6  Z    0.000169   0.039839   0.039836   0.049954   0.010847
   69  CL 6  X    0.033303  -0.027359  -0.264672   0.110101   0.112777
   70  CL 6  Y    0.033301  -0.264672  -0.027329   0.110095  -0.094118
   71  CL 6  Z    0.014888   0.110101   0.110095   0.191530   0.039152

                     11         12         13         14         15

   11  MO 1  Y    1.000000
   12  MO 1  Z    0.000000   1.000000
   13  MO 1 XX    0.000000   0.000000   1.000000
   14  MO 1 YY    0.000000   0.000000   0.333333   1.000000
   15  MO 1 ZZ    0.000000   0.000000   0.333333   0.333333   1.000000
   16  MO 1 XY    0.000000   0.000000   0.000000   0.000000  -0.000000
   17  MO 1 XZ    0.000000   0.000000   0.000000   0.000000   0.000000
   18  MO 1 YZ    0.000000   0.000000   0.000000   0.000000   0.000000
   19  MO 1 XX    0.000000   0.000000   0.419703   0.139901   0.139901
   20  MO 1 YY    0.000000   0.000000   0.139901   0.419703   0.139901
   21  MO 1 ZZ    0.000000   0.000000   0.139901   0.139901   0.419703
   22  MO 1 XY    0.000000   0.000000   0.000000   0.000000   0.000000
   23  MO 1 XZ    0.000000   0.000000   0.000000   0.000000   0.000000
   24  MO 1 YZ    0.000000   0.000000   0.000000   0.000000   0.000000
   25  O  2  S    0.000002   0.022622   0.000164   0.000164   0.026169
   26  O  2  S    0.000010   0.136163   0.012126   0.012126   0.177779
   27  O  2  X    0.000000   0.000001  -0.000004   0.000001   0.000018
   28  O  2  Y    0.032161  -0.000001  -0.000001   0.000004  -0.000018
   29  O  2  Z   -0.000001   0.016322  -0.015723  -0.015723  -0.176643
   30  O  2  S    0.000021   0.301218   0.115945   0.115945   0.336619
   31  O  2  X    0.000000   0.000006  -0.000001   0.000018   0.000050
   32  O  2  Y    0.181547  -0.000006  -0.000018   0.000001  -0.000050
   33  O  2  Z   -0.000006   0.097772  -0.251744  -0.251744  -0.440843
   34  O  2 XX    0.000012   0.170016   0.038504   0.012835   0.149299
   35  O  2 YY    0.000011   0.170016   0.012835   0.038504   0.149299
   36  O  2 ZZ    0.000012   0.162082   0.059655   0.059655   0.368038
   37  O  2 XY    0.000001  -0.000000   0.000000   0.000000  -0.000000
   38  O  2 XZ   -0.000000   0.000000   0.000012  -0.000006  -0.000041
   39  O  2 YZ   -0.009092  -0.000000   0.000006  -0.000012   0.000041
   40  CL 3  S   -0.176888  -0.073556   0.021367   0.021367   0.006575
   41  CL 3  S   -0.301316  -0.125297   0.080669   0.080669   0.049515
   42  CL 3  X    0.026076   0.010843  -0.013735  -0.021398  -0.005638
   43  CL 3  Y    0.026367  -0.010843   0.021398   0.013735   0.005638
   44  CL 3  Z   -0.010843   0.047935   0.008898   0.008898  -0.000842
   45  CL 3  X    0.094123   0.039139  -0.085585  -0.138744  -0.080526
   46  CL 3  Y    0.112778  -0.039139   0.138744   0.085585   0.080526
   47  CL 3  Z   -0.039139   0.190626   0.057694   0.057694   0.011380
   48  CL 4  S   -0.176888  -0.073579   0.021363   0.021365   0.006577
   49  CL 4  S   -0.301316  -0.125337   0.080663   0.080667   0.049517
   50  CL 4  X   -0.026075  -0.010846   0.013731   0.021396   0.005639
   51  CL 4  Y    0.026367  -0.010847   0.021395   0.013734   0.005640
   52  CL 4  Z   -0.010847   0.047931   0.008900   0.008901  -0.000842
   53  CL 4  X   -0.094118  -0.039150   0.085571   0.138733   0.080527
   54  CL 4  Y    0.112777  -0.039152   0.138733   0.085584   0.080532
   55  CL 4  Z   -0.039152   0.190614   0.057708   0.057711   0.011387
   56  CL 5  S    0.176878  -0.073603   0.021362   0.021362   0.006578
   57  CL 5  S    0.301299  -0.125377   0.080660   0.080660   0.049520
   58  CL 5  X    0.026074  -0.010850   0.013731   0.021393   0.005641
   59  CL 5  Y    0.026369   0.010850  -0.021393  -0.013731  -0.005641
   60  CL 5  Z    0.010850   0.047928   0.008902   0.008902  -0.000841
   61  CL 5  X    0.094113  -0.039163   0.085569   0.138721   0.080533
   62  CL 5  Y    0.112785   0.039163  -0.138721  -0.085569  -0.080533
   63  CL 5  Z    0.039163   0.190602   0.057725   0.057725   0.011394
   64  CL 6  S    0.176878  -0.073579   0.021365   0.021363   0.006577
   65  CL 6  S    0.301299  -0.125337   0.080667   0.080663   0.049517
   66  CL 6  X   -0.026075   0.010847  -0.013734  -0.021395  -0.005640
   67  CL 6  Y    0.026370   0.010846  -0.021396  -0.013731  -0.005639
   68  CL 6  Z    0.010846   0.047931   0.008901   0.008900  -0.000842
   69  CL 6  X   -0.094118   0.039152  -0.085584  -0.138733  -0.080532
   70  CL 6  Y    0.112787   0.039150  -0.138733  -0.085571  -0.080527
   71  CL 6  Z    0.039150   0.190614   0.057711   0.057708   0.011387

                     16         17         18         19         20

   16  MO 1 XY    1.000000
   17  MO 1 XZ    0.000000   1.000000
   18  MO 1 YZ    0.000000  -0.000000   1.000000
   19  MO 1 XX    0.000000   0.000000   0.000000   1.000000
   20  MO 1 YY    0.000000   0.000000   0.000000   0.333333   1.000000
   21  MO 1 ZZ    0.000000   0.000000   0.000000   0.333333   0.333333
   22  MO 1 XY    0.419703   0.000000   0.000000   0.000000   0.000000
   23  MO 1 XZ    0.000000   0.419703   0.000000   0.000000   0.000000
   24  MO 1 YZ    0.000000   0.000000   0.419703   0.000000   0.000000
   25  O  2  S   -0.000000  -0.000003   0.000003   0.000457   0.000457
   26  O  2  S   -0.000000  -0.000020   0.000020   0.021751   0.021751
   27  O  2  X    0.000005   0.067390   0.000000  -0.000012   0.000001
   28  O  2  Y   -0.000005   0.000000   0.067390  -0.000001   0.000012
   29  O  2  Z    0.000000   0.000024  -0.000024  -0.009835  -0.009835
   30  O  2  S   -0.000000  -0.000027   0.000027   0.134075   0.134075
   31  O  2  X    0.000016   0.230366   0.000000  -0.000034   0.000010
   32  O  2  Y   -0.000016   0.000000   0.230366  -0.000010   0.000034
   33  O  2  Z    0.000000   0.000039  -0.000039  -0.135146  -0.135146
   34  O  2 XX    0.000000   0.000001   0.000017   0.085949   0.028650
   35  O  2 YY    0.000000  -0.000017  -0.000001   0.028650   0.085949
   36  O  2 ZZ   -0.000000  -0.000052   0.000052   0.037483   0.037483
   37  O  2 XY    0.038504  -0.000015   0.000015   0.000000   0.000000
   38  O  2 XZ   -0.000015  -0.180215  -0.000000   0.000014  -0.000001
   39  O  2 YZ    0.000015  -0.000000  -0.180215   0.000001  -0.000014
   40  CL 3  S   -0.030975  -0.012881   0.012881   0.186888   0.186888
   41  CL 3  S   -0.065243  -0.027130   0.027130   0.299041   0.299041
   42  CL 3  X    0.026368   0.010965  -0.013724  -0.013548  -0.116569
   43  CL 3  Y   -0.026368  -0.013724   0.010965   0.116569   0.013548
   44  CL 3  Z   -0.013724   0.000930  -0.000930   0.048473   0.048473
   45  CL 3  X    0.075880   0.031553  -0.050697  -0.020695  -0.309663
   46  CL 3  Y   -0.075880  -0.050697   0.031553   0.309663   0.020695
   47  CL 3  Z   -0.050697   0.024955  -0.024955   0.128768   0.128768
   48  CL 4  S    0.030972   0.012883   0.012884   0.186867   0.186885
   49  CL 4  S    0.065238   0.027137   0.027138   0.299016   0.299038
   50  CL 4  X    0.026363   0.010966   0.013727   0.013536   0.116562
   51  CL 4  Y    0.026365   0.013727   0.010968   0.116556   0.013549
   52  CL 4  Z    0.013727  -0.000926  -0.000926   0.048483   0.048488
   53  CL 4  X    0.075866   0.031558   0.050709   0.020672   0.309644
   54  CL 4  Y    0.075875   0.050709   0.031563   0.309637   0.020698
   55  CL 4  Z    0.050709  -0.024939  -0.024941   0.128798   0.128808
   56  CL 5  S   -0.030969   0.012887  -0.012887   0.186864   0.186864
   57  CL 5  S   -0.065233   0.027145  -0.027145   0.299012   0.299012
   58  CL 5  X   -0.026360   0.010969  -0.013730   0.013537   0.116548
   59  CL 5  Y    0.026360  -0.013730   0.010969  -0.116548  -0.013537
   60  CL 5  Z   -0.013730  -0.000922   0.000922   0.048498   0.048498
   61  CL 5  X   -0.075861   0.031567  -0.050722   0.020675   0.309618
   62  CL 5  Y    0.075861  -0.050722   0.031567  -0.309618  -0.020675
   63  CL 5  Z   -0.050722  -0.024925   0.024925   0.128839   0.128839
   64  CL 6  S    0.030972  -0.012884  -0.012883   0.186885   0.186867
   65  CL 6  S    0.065238  -0.027138  -0.027137   0.299038   0.299016
   66  CL 6  X   -0.026365   0.010968   0.013727  -0.013549  -0.116556
   67  CL 6  Y   -0.026363   0.013727   0.010966  -0.116562  -0.013536
   68  CL 6  Z    0.013727   0.000926   0.000926   0.048488   0.048483
   69  CL 6  X   -0.075875   0.031563   0.050709  -0.020698  -0.309637
   70  CL 6  Y   -0.075866   0.050709   0.031558  -0.309644  -0.020672
   71  CL 6  Z    0.050709   0.024941   0.024939   0.128808   0.128798

                     21         22         23         24         25

   21  MO 1 ZZ    1.000000
   22  MO 1 XY    0.000000   1.000000
   23  MO 1 XZ    0.000000   0.000000   1.000000
   24  MO 1 YZ    0.000000   0.000000   0.000000   1.000000
   25  O  2  S    0.076555  -0.000000  -0.000009   0.000009   1.000000
   26  O  2  S    0.399913  -0.000000  -0.000046   0.000046   0.233690
   27  O  2  X    0.000015   0.000011   0.158898   0.000000   0.000000
   28  O  2  Y   -0.000015  -0.000011   0.000000   0.158898  -0.000000
   29  O  2  Z   -0.025503   0.000000   0.000013  -0.000013  -0.000000
   30  O  2  S    0.648030  -0.000000  -0.000063   0.000063   0.167280
   31  O  2  X    0.000046   0.000038   0.536528   0.000000   0.000000
   32  O  2  Y   -0.000046  -0.000038   0.000000   0.536528  -0.000000
   33  O  2  Z   -0.033677   0.000000   0.000025  -0.000025   0.000000
   34  O  2 XX    0.436025  -0.000000  -0.000035   0.000050   0.033532
   35  O  2 YY    0.436025  -0.000000  -0.000050   0.000035   0.033532
   36  O  2 ZZ    0.387810  -0.000000  -0.000050   0.000050   0.033532
   37  O  2 XY   -0.000000   0.085949  -0.000013   0.000013  -0.000000
   38  O  2 XZ   -0.000002  -0.000013  -0.094009  -0.000000   0.000000
   39  O  2 YZ    0.000002   0.000013  -0.000000  -0.094009  -0.000000
   40  CL 3  S    0.051859  -0.282773  -0.117586   0.117586   0.000000
   41  CL 3  S    0.134678  -0.344203  -0.143131   0.143131   0.000153
   42  CL 3  X   -0.028111   0.096026   0.039931  -0.077031  -0.000000
   43  CL 3  Y    0.028111  -0.096026  -0.077031   0.039931   0.000000
   44  CL 3  Z   -0.031150  -0.077031   0.057187  -0.057187   0.000000
   45  CL 3  X   -0.130935   0.124032   0.051576  -0.155640  -0.000211
   46  CL 3  Y    0.130935  -0.124032  -0.155640   0.051576   0.000211
   47  CL 3  Z   -0.065715  -0.155640   0.185533  -0.185533   0.000296
   48  CL 4  S    0.051876   0.282754   0.117616   0.117622   0.000000
   49  CL 4  S    0.134698   0.344182   0.143168   0.143176   0.000153
   50  CL 4  X    0.028121   0.096006   0.039935   0.077051   0.000000
   51  CL 4  Y    0.028123   0.096021   0.077051   0.039944   0.000000
   52  CL 4  Z   -0.031154   0.077051  -0.057162  -0.057165   0.000000
   53  CL 4  X    0.130950   0.123993   0.051577   0.155681   0.000211
   54  CL 4  Y    0.130958   0.124028   0.155681   0.051594   0.000211
   55  CL 4  Z   -0.065725   0.155681  -0.185478  -0.185488   0.000296
   56  CL 5  S    0.051893  -0.282734   0.117652  -0.117652   0.000000
   57  CL 5  S    0.134718  -0.344160   0.143213  -0.143213   0.000153
   58  CL 5  X    0.028133  -0.096001   0.039948  -0.077070   0.000000
   59  CL 5  Y   -0.028133   0.096001  -0.077070   0.039948  -0.000000
   60  CL 5  Z   -0.031159  -0.077070  -0.057140   0.057140   0.000000
   61  CL 5  X    0.130973  -0.123990   0.051595  -0.155722   0.000211
   62  CL 5  Y   -0.130973   0.123990  -0.155722   0.051595  -0.000211
   63  CL 5  Z   -0.065735  -0.155722  -0.185433   0.185433   0.000296
   64  CL 6  S    0.051876   0.282754  -0.117622  -0.117616   0.000000
   65  CL 6  S    0.134698   0.344182  -0.143176  -0.143168   0.000153
   66  CL 6  X   -0.028123  -0.096021   0.039944   0.077051  -0.000000
   67  CL 6  Y   -0.028121  -0.096006   0.077051   0.039935  -0.000000
   68  CL 6  Z   -0.031154   0.077051   0.057165   0.057162   0.000000
   69  CL 6  X   -0.130958  -0.124028   0.051594   0.155681  -0.000211
   70  CL 6  Y   -0.130950  -0.123993   0.155681   0.051577  -0.000211
   71  CL 6  Z   -0.065725   0.155681   0.185488   0.185478   0.000296

                     26         27         28         29         30

   26  O  2  S    1.000000
   27  O  2  X    0.000000   1.000000
   28  O  2  Y    0.000000   0.000000   1.000000
   29  O  2  Z    0.000000   0.000000   0.000000   1.000000
   30  O  2  S    0.763641   0.000000  -0.000000   0.000000   1.000000
   31  O  2  X    0.000000   0.501521  -0.000000   0.000000   0.000000
   32  O  2  Y   -0.000000  -0.000000   0.501521  -0.000000   0.000000
   33  O  2  Z    0.000000   0.000000  -0.000000   0.501521   0.000000
   34  O  2 XX    0.547066   0.000000  -0.000000   0.000000   0.699015
   35  O  2 YY    0.547066   0.000000   0.000000   0.000000   0.699015
   36  O  2 ZZ    0.547066   0.000000  -0.000000   0.000000   0.699015
   37  O  2 XY   -0.000000  -0.000000   0.000000  -0.000000  -0.000000
   38  O  2 XZ    0.000000   0.000000  -0.000000   0.000000   0.000000
   39  O  2 YZ   -0.000000  -0.000000   0.000000  -0.000000  -0.000000
   40  CL 3  S    0.000002   0.000003  -0.000003  -0.000004   0.000937
   41  CL 3  S    0.001832   0.001179  -0.001179  -0.001655   0.014006
   42  CL 3  X   -0.000000  -0.000000   0.000001   0.000001  -0.000528
   43  CL 3  Y    0.000000   0.000001  -0.000000  -0.000001   0.000528
   44  CL 3  Z    0.000000   0.000001  -0.000001  -0.000001   0.000741
   45  CL 3  X   -0.002569  -0.001256   0.001815   0.002547  -0.017578
   46  CL 3  Y    0.002569   0.001815  -0.001256  -0.002547   0.017578
   47  CL 3  Z    0.003605   0.002547  -0.002547  -0.003014   0.024663
   48  CL 4  S    0.000002  -0.000003  -0.000003  -0.000004   0.000937
   49  CL 4  S    0.001832  -0.001179  -0.001179  -0.001655   0.014006
   50  CL 4  X    0.000000  -0.000000  -0.000001  -0.000001   0.000528
   51  CL 4  Y    0.000000  -0.000001  -0.000000  -0.000001   0.000528
   52  CL 4  Z    0.000000  -0.000001  -0.000001  -0.000001   0.000741
   53  CL 4  X    0.002569  -0.001256  -0.001815  -0.002546   0.017574
   54  CL 4  Y    0.002569  -0.001815  -0.001256  -0.002547   0.017578
   55  CL 4  Z    0.003605  -0.002546  -0.002547  -0.003015   0.024665
   56  CL 5  S    0.000002  -0.000003   0.000003  -0.000004   0.000937
   57  CL 5  S    0.001832  -0.001179   0.001179  -0.001655   0.014006
   58  CL 5  X    0.000000  -0.000000   0.000001  -0.000001   0.000528
   59  CL 5  Y   -0.000000   0.000001  -0.000000   0.000001  -0.000528
   60  CL 5  Z    0.000000  -0.000001   0.000001  -0.000001   0.000741
   61  CL 5  X    0.002569  -0.001256   0.001814  -0.002546   0.017574
   62  CL 5  Y   -0.002569   0.001814  -0.001256   0.002546  -0.017574
   63  CL 5  Z    0.003605  -0.002546   0.002546  -0.003016   0.024667
   64  CL 6  S    0.000002   0.000003   0.000003  -0.000004   0.000937
   65  CL 6  S    0.001832   0.001179   0.001179  -0.001655   0.014006
   66  CL 6  X   -0.000000  -0.000000  -0.000001   0.000001  -0.000528
   67  CL 6  Y   -0.000000  -0.000001  -0.000000   0.000001  -0.000528
   68  CL 6  Z    0.000000   0.000001   0.000001  -0.000001   0.000741
   69  CL 6  X   -0.002569  -0.001256  -0.001815   0.002547  -0.017578
   70  CL 6  Y   -0.002569  -0.001815  -0.001256   0.002546  -0.017574
   71  CL 6  Z    0.003605   0.002547   0.002546  -0.003015   0.024665

                     31         32         33         34         35

   31  O  2  X    1.000000
   32  O  2  Y    0.000000   1.000000
   33  O  2  Z    0.000000   0.000000   1.000000
   34  O  2 XX    0.000000  -0.000000   0.000000   1.000000
   35  O  2 YY    0.000000   0.000000   0.000000   0.333333   1.000000
   36  O  2 ZZ    0.000000  -0.000000   0.000000   0.333333   0.333333
   37  O  2 XY   -0.000000   0.000000  -0.000000   0.000000   0.000000
   38  O  2 XZ    0.000000  -0.000000   0.000000   0.000000   0.000000
   39  O  2 YZ   -0.000000   0.000000  -0.000000   0.000000   0.000000
   40  CL 3  S    0.001994  -0.001994  -0.002797   0.000018   0.000018
   41  CL 3  S    0.017729  -0.017729  -0.024874   0.003549   0.003549
   42  CL 3  X   -0.000930   0.001244   0.001746  -0.000004  -0.000005
   43  CL 3  Y    0.001244  -0.000930  -0.001746   0.000005   0.000004
   44  CL 3  Z    0.001746  -0.001746  -0.002135   0.000008   0.000008
   45  CL 3  X   -0.013323   0.023782   0.033368  -0.003854  -0.005256
   46  CL 3  Y    0.023782  -0.013323  -0.033368   0.005256   0.003854
   47  CL 3  Z    0.033368  -0.033368  -0.036357   0.007374   0.007374
   48  CL 4  S   -0.001993  -0.001994  -0.002798   0.000018   0.000018
   49  CL 4  S   -0.017725  -0.017728  -0.024876   0.003548   0.003549
   50  CL 4  X   -0.000929  -0.001244  -0.001745   0.000004   0.000005
   51  CL 4  Y   -0.001244  -0.000930  -0.001746   0.000005   0.000004
   52  CL 4  Z   -0.001745  -0.001746  -0.002135   0.000008   0.000008
   53  CL 4  X   -0.013314  -0.023777  -0.033364   0.003852   0.005254
   54  CL 4  Y   -0.023777  -0.013323  -0.033371   0.005255   0.003854
   55  CL 4  Z   -0.033364  -0.033371  -0.036366   0.007373   0.007374
   56  CL 5  S   -0.001993   0.001993  -0.002798   0.000018   0.000018
   57  CL 5  S   -0.017725   0.017725  -0.024878   0.003548   0.003548
   58  CL 5  X   -0.000929   0.001244  -0.001746   0.000004   0.000005
   59  CL 5  Y    0.001244  -0.000929   0.001746  -0.000005  -0.000004
   60  CL 5  Z   -0.001746   0.001746  -0.002136   0.000008   0.000008
   61  CL 5  X   -0.013314   0.023773  -0.033367   0.003852   0.005254
   62  CL 5  Y    0.023773  -0.013314   0.033367  -0.005254  -0.003852
   63  CL 5  Z   -0.033367   0.033367  -0.036374   0.007374   0.007374
   64  CL 6  S    0.001994   0.001993  -0.002798   0.000018   0.000018
   65  CL 6  S    0.017728   0.017725  -0.024876   0.003549   0.003548
   66  CL 6  X   -0.000930  -0.001244   0.001746  -0.000004  -0.000005
   67  CL 6  Y   -0.001244  -0.000929   0.001745  -0.000005  -0.000004
   68  CL 6  Z    0.001746   0.001745  -0.002135   0.000008   0.000008
   69  CL 6  X   -0.013323  -0.023777   0.033371  -0.003854  -0.005255
   70  CL 6  Y   -0.023777  -0.013314   0.033364  -0.005254  -0.003852
   71  CL 6  Z    0.033371   0.033364  -0.036366   0.007374   0.007373

                     36         37         38         39         40

   36  O  2 ZZ    1.000000
   37  O  2 XY   -0.000000   1.000000
   38  O  2 XZ    0.000000   0.000000   1.000000
   39  O  2 YZ    0.000000   0.000000  -0.000000   1.000000
   40  CL 3  S    0.000032  -0.000024  -0.000034   0.000034   1.000000
   41  CL 3  S    0.004807  -0.002251  -0.003158   0.003158   0.849094
   42  CL 3  X   -0.000010   0.000007   0.000010  -0.000011   0.000000
   43  CL 3  Y    0.000010  -0.000007  -0.000011   0.000010  -0.000000
   44  CL 3  Z    0.000012  -0.000011  -0.000015   0.000015   0.000000
   45  CL 3  X   -0.007360   0.002550   0.003578  -0.005281   0.000000
   46  CL 3  Y    0.007360  -0.002550  -0.005281   0.003578   0.000000
   47  CL 3  Z    0.008360  -0.005281  -0.006196   0.006196   0.000000
   48  CL 4  S    0.000032   0.000024   0.000034   0.000034   0.000081
   49  CL 4  S    0.004808   0.002251   0.003158   0.003159   0.006126
   50  CL 4  X    0.000010   0.000007   0.000010   0.000011   0.000067
   51  CL 4  Y    0.000010   0.000007   0.000011   0.000010   0.000000
   52  CL 4  Z    0.000012   0.000011   0.000015   0.000015   0.000000
   53  CL 4  X    0.007360   0.002549   0.003576   0.005280   0.016599
   54  CL 4  Y    0.007361   0.002550   0.005280   0.003578   0.000000
   55  CL 4  Z    0.008362   0.005280   0.006196   0.006197   0.000001
   56  CL 5  S    0.000032  -0.000024   0.000034  -0.000034   0.000000
   57  CL 5  S    0.004808  -0.002250   0.003158  -0.003158   0.000040
   58  CL 5  X    0.000010  -0.000007   0.000010  -0.000011   0.000000
   59  CL 5  Y   -0.000010   0.000007  -0.000011   0.000010  -0.000000
   60  CL 5  Z    0.000012  -0.000011   0.000015  -0.000015   0.000000
   61  CL 5  X    0.007360  -0.002548   0.003576  -0.005280   0.000071
   62  CL 5  Y   -0.007360   0.002548  -0.005280   0.003576  -0.000071
   63  CL 5  Z    0.008364  -0.005280   0.006197  -0.006197   0.000000
   64  CL 6  S    0.000032   0.000024  -0.000034  -0.000034   0.000081
   65  CL 6  S    0.004808   0.002251  -0.003159  -0.003158   0.006126
   66  CL 6  X   -0.000010  -0.000007   0.000010   0.000011  -0.000000
   67  CL 6  Y   -0.000010  -0.000007   0.000011   0.000010  -0.000067
   68  CL 6  Z    0.000012   0.000011  -0.000015  -0.000015   0.000000
   69  CL 6  X   -0.007361  -0.002550   0.003578   0.005280  -0.000000
   70  CL 6  Y   -0.007360  -0.002549   0.005280   0.003576  -0.016599
   71  CL 6  Z    0.008362   0.005280  -0.006197  -0.006196   0.000001

                     41         42         43         44         45

   41  CL 3  S    1.000000
   42  CL 3  X    0.000000   1.000000
   43  CL 3  Y    0.000000   0.000000   1.000000
   44  CL 3  Z    0.000000   0.000000   0.000000   1.000000
   45  CL 3  X   -0.000000   0.637684   0.000000   0.000000   1.000000
   46  CL 3  Y    0.000000   0.000000   0.637684  -0.000000  -0.000000
   47  CL 3  Z    0.000000   0.000000  -0.000000   0.637684  -0.000000
   48  CL 4  S    0.006126  -0.000067  -0.000000  -0.000000  -0.016599
   49  CL 4  S    0.032987  -0.006811  -0.000000  -0.000000  -0.071283
   50  CL 4  X    0.006811  -0.000046  -0.000000  -0.000000  -0.018769
   51  CL 4  Y    0.000000  -0.000000   0.000002  -0.000000  -0.000000
   52  CL 4  Z    0.000000  -0.000000  -0.000000   0.000002  -0.000001
   53  CL 4  X    0.071283  -0.018769  -0.000000  -0.000001  -0.147144
   54  CL 4  Y    0.000000  -0.000000   0.001735  -0.000000  -0.000001
   55  CL 4  Z    0.000005  -0.000001  -0.000000   0.001735  -0.000012
   56  CL 5  S    0.000040  -0.000000   0.000000  -0.000000  -0.000071
   57  CL 5  S    0.001088  -0.000030   0.000030  -0.000000  -0.001952
   58  CL 5  X    0.000030  -0.000000   0.000000  -0.000000  -0.000051
   59  CL 5  Y   -0.000030   0.000000  -0.000000   0.000000   0.000056
   60  CL 5  Z    0.000000  -0.000000   0.000000   0.000000  -0.000000
   61  CL 5  X    0.001952  -0.000051   0.000056  -0.000000  -0.003275
   62  CL 5  Y   -0.001952   0.000056  -0.000051   0.000000   0.003771
   63  CL 5  Z    0.000000  -0.000000   0.000000   0.000005  -0.000001
   64  CL 6  S    0.006126   0.000000   0.000067  -0.000000   0.000000
   65  CL 6  S    0.032987   0.000000   0.006811  -0.000000   0.000000
   66  CL 6  X   -0.000000   0.000002  -0.000000   0.000000   0.001735
   67  CL 6  Y   -0.006811  -0.000000  -0.000046   0.000000  -0.000000
   68  CL 6  Z    0.000000   0.000000   0.000000   0.000002   0.000000
   69  CL 6  X   -0.000000   0.001735  -0.000000   0.000000   0.022261
   70  CL 6  Y   -0.071283  -0.000000  -0.018769   0.000001  -0.000001
   71  CL 6  Z    0.000005   0.000000   0.000001   0.001735   0.000000

                     46         47         48         49         50

   46  CL 3  Y    1.000000
   47  CL 3  Z    0.000000   1.000000
   48  CL 4  S   -0.000000  -0.000001   1.000000
   49  CL 4  S   -0.000000  -0.000005   0.849094   1.000000
   50  CL 4  X   -0.000000  -0.000001   0.000000   0.000000   1.000000
   51  CL 4  Y    0.001735  -0.000000   0.000000  -0.000000   0.000000
   52  CL 4  Z   -0.000000   0.001735   0.000000  -0.000000   0.000000
   53  CL 4  X   -0.000001  -0.000012   0.000000   0.000000   0.637684
   54  CL 4  Y    0.022261  -0.000000   0.000000   0.000000  -0.000000
   55  CL 4  Z   -0.000000   0.022261   0.000000   0.000000  -0.000000
   56  CL 5  S    0.000071  -0.000000   0.000081   0.006125  -0.000000
   57  CL 5  S    0.001952  -0.000000   0.006125   0.032985  -0.000000
   58  CL 5  X    0.000056  -0.000000   0.000000   0.000000   0.000002
   59  CL 5  Y   -0.000051   0.000000  -0.000067  -0.006811   0.000000
   60  CL 5  Z    0.000000   0.000005   0.000000   0.000000  -0.000000
   61  CL 5  X    0.003771  -0.000001   0.000000   0.000000   0.001735
   62  CL 5  Y   -0.003275   0.000001  -0.016597  -0.071280   0.000000
   63  CL 5  Z    0.000001   0.000496   0.000001   0.000005  -0.000000
   64  CL 6  S    0.016599  -0.000001   0.000000   0.000040   0.000000
   65  CL 6  S    0.071283  -0.000005   0.000040   0.001088   0.000030
   66  CL 6  X   -0.000000   0.000000  -0.000000  -0.000030  -0.000000
   67  CL 6  Y   -0.018769   0.000001  -0.000000  -0.000030  -0.000000
   68  CL 6  Z    0.000001   0.001735   0.000000  -0.000000   0.000000
   69  CL 6  X   -0.000001   0.000000  -0.000071  -0.001952  -0.000051
   70  CL 6  Y   -0.147144   0.000012  -0.000071  -0.001952  -0.000056
   71  CL 6  Z    0.000012   0.022261   0.000000   0.000000   0.000000

                     51         52         53         54         55

   51  CL 4  Y    1.000000
   52  CL 4  Z    0.000000   1.000000
   53  CL 4  X   -0.000000  -0.000000   1.000000
   54  CL 4  Y    0.637684  -0.000000   0.000000   1.000000
   55  CL 4  Z   -0.000000   0.637684   0.000000   0.000000   1.000000
   56  CL 5  S    0.000067  -0.000000  -0.000000   0.016597  -0.000001
   57  CL 5  S    0.006811  -0.000000  -0.000000   0.071280  -0.000005
   58  CL 5  X    0.000000  -0.000000   0.001735   0.000000  -0.000000
   59  CL 5  Y   -0.000046   0.000000   0.000000  -0.018768   0.000001
   60  CL 5  Z    0.000000   0.000002  -0.000000   0.000001   0.001735
   61  CL 5  X    0.000000  -0.000000   0.022260   0.000001  -0.000000
   62  CL 5  Y   -0.018768   0.000001   0.000001  -0.147139   0.000011
   63  CL 5  Z    0.000001   0.001735  -0.000000   0.000011   0.022260
   64  CL 6  S    0.000000   0.000000   0.000071   0.000071   0.000000
   65  CL 6  S    0.000030  -0.000000   0.001952   0.001952   0.000000
   66  CL 6  X   -0.000000   0.000000  -0.000051  -0.000056  -0.000000
   67  CL 6  Y   -0.000000   0.000000  -0.000056  -0.000051  -0.000000
   68  CL 6  Z    0.000000   0.000000   0.000000   0.000000   0.000005
   69  CL 6  X   -0.000056  -0.000000  -0.003276  -0.003771   0.000000
   70  CL 6  Y   -0.000051  -0.000000  -0.003771  -0.003276   0.000000
   71  CL 6  Z    0.000000   0.000005   0.000000   0.000000   0.000496

                     56         57         58         59         60

   56  CL 5  S    1.000000
   57  CL 5  S    0.849094   1.000000
   58  CL 5  X    0.000000   0.000000   1.000000
   59  CL 5  Y   -0.000000   0.000000  -0.000000   1.000000
   60  CL 5  Z    0.000000   0.000000   0.000000  -0.000000   1.000000
   61  CL 5  X    0.000000   0.000000   0.637684   0.000000  -0.000000
   62  CL 5  Y   -0.000000  -0.000000   0.000000   0.637684   0.000000
   63  CL 5  Z    0.000000   0.000000  -0.000000   0.000000   0.637684
   64  CL 6  S    0.000081   0.006125   0.000067  -0.000000   0.000000
   65  CL 6  S    0.006125   0.032985   0.006811  -0.000000   0.000000
   66  CL 6  X   -0.000067  -0.006811  -0.000046   0.000000  -0.000000
   67  CL 6  Y    0.000000   0.000000   0.000000   0.000002   0.000000
   68  CL 6  Z   -0.000000  -0.000000  -0.000000   0.000000   0.000002
   69  CL 6  X   -0.016597  -0.071280  -0.018768   0.000000  -0.000001
   70  CL 6  Y    0.000000   0.000000   0.000000   0.001735   0.000000
   71  CL 6  Z   -0.000001  -0.000005  -0.000001   0.000000   0.001735

                     61         62         63         64         65

   61  CL 5  X    1.000000
   62  CL 5  Y   -0.000000   1.000000
   63  CL 5  Z    0.000000   0.000000   1.000000
   64  CL 6  S    0.016597  -0.000000   0.000001   1.000000
   65  CL 6  S    0.071280  -0.000000   0.000005   0.849094   1.000000
   66  CL 6  X   -0.018768   0.000000  -0.000001   0.000000   0.000000
   67  CL 6  Y    0.000000   0.001735   0.000000  -0.000000   0.000000
   68  CL 6  Z   -0.000001   0.000000   0.001735   0.000000  -0.000000
   69  CL 6  X   -0.147139   0.000001  -0.000011  -0.000000  -0.000000
   70  CL 6  Y    0.000001   0.022260   0.000000   0.000000   0.000000
   71  CL 6  Z   -0.000011   0.000000   0.022260   0.000000   0.000000

                     66         67         68         69         70

   66  CL 6  X    1.000000
   67  CL 6  Y    0.000000   1.000000
   68  CL 6  Z    0.000000   0.000000   1.000000
   69  CL 6  X    0.637684  -0.000000   0.000000   1.000000
   70  CL 6  Y   -0.000000   0.637684   0.000000   0.000000   1.000000
   71  CL 6  Z    0.000000   0.000000   0.637684   0.000000   0.000000

                     71

   71  CL 6  Z    1.000000
 BARE NUCLEUS HAMILTONIAN INTEGRALS (H=T+V)

                      1          2          3          4          5

    1  MO 1  S  -20.986582
    2  MO 1  S   18.192027 -21.074282
    3  MO 1  S   -7.200100   0.911106 -12.143528
    4  MO 1  X    0.000018  -0.000010   0.000011 -19.024041
    5  MO 1  Y   -0.000018   0.000010  -0.000011  -0.000000 -19.024041
    6  MO 1  Z   -0.297722   0.158393  -0.177096   0.000012  -0.000012
    7  MO 1  X    0.000005   0.000008   0.000011  -3.560498  -0.000000
    8  MO 1  Y   -0.000005  -0.000008  -0.000011  -0.000000  -3.560498
    9  MO 1  Z   -0.075891  -0.152014  -0.214858   0.000007  -0.000007
   10  MO 1  X    0.000002   0.000003   0.000002  -1.558946  -0.000000
   11  MO 1  Y   -0.000002  -0.000003  -0.000002  -0.000000  -1.558946
   12  MO 1  Z   -0.030992  -0.052518  -0.024238   0.000003  -0.000003
   13  MO 1 XX  -13.006926   8.423278  -6.936148   0.000019  -0.000006
   14  MO 1 YY  -13.006926   8.423278  -6.936148   0.000006  -0.000019
   15  MO 1 ZZ  -13.120701   8.404721  -7.080746   0.000021  -0.000021
   16  MO 1 XY   -0.000000  -0.000000  -0.000000  -0.000011   0.000011
   17  MO 1 XZ    0.000015   0.000003   0.000019  -0.190106   0.000000
   18  MO 1 YZ   -0.000015  -0.000003  -0.000019   0.000000  -0.190106
   19  MO 1 XX   -2.395628  -2.394073  -8.401188   0.000004  -0.000001
   20  MO 1 YY   -2.395628  -2.394073  -8.401188   0.000001  -0.000004
   21  MO 1 ZZ   -2.440009  -2.487109  -8.435048   0.000012  -0.000012
   22  MO 1 XY   -0.000000  -0.000000  -0.000000  -0.000002   0.000002
   23  MO 1 XZ    0.000006   0.000014   0.000010  -0.045279   0.000000
   24  MO 1 YZ   -0.000006  -0.000014  -0.000010   0.000000  -0.045279
   25  O  2  S   -0.075927  -0.750051  -1.124918   0.000021  -0.000021
   26  O  2  S   -0.544343  -1.604747  -2.968828   0.000097  -0.000097
   27  O  2  X   -0.000057  -0.000029  -0.000054  -0.286055  -0.000000
   28  O  2  Y    0.000057   0.000029   0.000054  -0.000000  -0.286055
   29  O  2  Z    0.809559   0.418031   0.764884  -0.000141   0.000141
   30  O  2  S   -2.826555  -0.758403  -5.594112   0.000253  -0.000253
   31  O  2  X   -0.000449   0.000219  -0.000247  -2.028995  -0.000000
   32  O  2  Y    0.000449  -0.000219   0.000247  -0.000000  -2.028995
   33  O  2  Z    6.378288  -3.105255   3.503329  -0.000553   0.000553
   34  O  2 XX   -0.448411  -1.524313  -2.972684  -0.000017  -0.000074
   35  O  2 YY   -0.448411  -1.524313  -2.972684   0.000074   0.000017
   36  O  2 ZZ   -2.547361   0.021016  -3.423111   0.000395  -0.000395
   37  O  2 XY    0.000000  -0.000000   0.000000   0.000079  -0.000079
   38  O  2 XZ    0.000256  -0.000189   0.000055   1.122937   0.000000
   39  O  2 YZ   -0.000256   0.000189  -0.000055   0.000000   1.122937
   40  CL 3  S   -0.071615  -0.633583  -2.246587  -0.142190   0.142190
   41  CL 3  S   -0.819705  -0.758821  -3.940767  -0.713038   0.713038
   42  CL 3  X    0.056021   0.431317   0.648357   0.104727  -0.129150
   43  CL 3  Y   -0.056021  -0.431317  -0.648357  -0.129150   0.104727
   44  CL 3  Z   -0.023365  -0.179872  -0.270361  -0.053829   0.053829
   45  CL 3  X    1.393632   0.325505   2.307524   0.841326  -1.294389
   46  CL 3  Y   -1.393632  -0.325505  -2.307524  -1.294389   0.841326
   47  CL 3  Z   -0.584494  -0.140141  -0.968631  -0.541283   0.541283
   48  CL 4  S   -0.071610  -0.633563  -2.246557   0.142174   0.142182
   49  CL 4  S   -0.819676  -0.758815  -3.940720   0.712978   0.713017
   50  CL 4  X   -0.056014  -0.431282  -0.648314   0.104707   0.129135
   51  CL 4  Y   -0.056017  -0.431306  -0.648351   0.129135   0.104721
   52  CL 4  Z   -0.023371  -0.179925  -0.270445   0.053840   0.053843
   53  CL 4  X   -1.393507  -0.325507  -2.307375   0.841166   1.294282
   54  CL 4  Y   -1.393585  -0.325525  -2.307504   1.294284   0.841310
   55  CL 4  Z   -0.584660  -0.140193  -0.968932   0.541412   0.541441
   56  CL 5  S   -0.071605  -0.633543  -2.246526   0.142165  -0.142165
   57  CL 5  S   -0.819644  -0.758809  -3.940669   0.712956  -0.712956
   58  CL 5  X   -0.056010  -0.431271  -0.648308   0.104700  -0.129119
   59  CL 5  Y    0.056010   0.431271   0.648308  -0.129119   0.104700
   60  CL 5  Z   -0.023377  -0.179977  -0.270529   0.053854  -0.053854
   61  CL 5  X   -1.393458  -0.325528  -2.307354   0.841149  -1.294176
   62  CL 5  Y    1.393458   0.325528   2.307354  -1.294176   0.841149
   63  CL 5  Z   -0.584824  -0.140245  -0.969229   0.541569  -0.541569
   64  CL 6  S   -0.071610  -0.633563  -2.246557  -0.142182  -0.142174
   65  CL 6  S   -0.819676  -0.758815  -3.940720  -0.713017  -0.712978
   66  CL 6  X    0.056017   0.431306   0.648351   0.104721   0.129135
   67  CL 6  Y    0.056014   0.431282   0.648314   0.129135   0.104707
   68  CL 6  Z   -0.023371  -0.179925  -0.270445  -0.053843  -0.053840
   69  CL 6  X    1.393585   0.325525   2.307504   0.841310   1.294284
   70  CL 6  Y    1.393507   0.325507   2.307375   1.294282   0.841166
   71  CL 6  Z   -0.584660  -0.140193  -0.968932  -0.541441  -0.541412

                      6          7          8          9         10

    6  MO 1  Z  -19.182553
    7  MO 1  X    0.000007 -11.444655
    8  MO 1  Y   -0.000007  -0.000000 -11.444655
    9  MO 1  Z   -3.647350   0.000005  -0.000005 -11.450004
   10  MO 1  X    0.000003  -7.159775  -0.000000  -0.000007  -8.004622
   11  MO 1  Y   -0.000003  -0.000000  -7.159775   0.000007   0.000000
   12  MO 1  Z   -1.591775  -0.000007   0.000007  -7.021728  -0.000017
   13  MO 1 XX   -0.109758   0.000004  -0.000001  -0.030729   0.000001
   14  MO 1 YY   -0.109758   0.000001  -0.000004  -0.030729   0.000000
   15  MO 1 ZZ   -0.532256   0.000023  -0.000023  -0.400759   0.000009
   16  MO 1 XY    0.000000  -0.000001   0.000001   0.000000  -0.000000
   17  MO 1 XZ    0.000036  -0.053223   0.000000   0.000040  -0.018956
   18  MO 1 YZ   -0.000036   0.000000  -0.053223  -0.000040   0.000000
   19  MO 1 XX   -0.026142  -0.000030   0.000012   0.122082  -0.000023
   20  MO 1 YY   -0.026142  -0.000012   0.000030   0.122082  -0.000009
   21  MO 1 ZZ   -0.226651   0.000072  -0.000072  -0.818072   0.000038
   22  MO 1 XY    0.000000   0.000021  -0.000021   0.000000   0.000015
   23  MO 1 XZ    0.000020   0.211452   0.000000   0.000124   0.184522
   24  MO 1 YZ   -0.000020   0.000000   0.211452  -0.000124   0.000000
   25  O  2  S   -0.304147   0.000157  -0.000157  -2.222713   0.000063
   26  O  2  S   -1.380336   0.000373  -0.000373  -5.297231   0.000162
   27  O  2  X   -0.000141  -1.132117  -0.000000  -0.000130  -0.488754
   28  O  2  Y    0.000141  -0.000000  -1.132117   0.000130  -0.000000
   29  O  2  Z    1.711385  -0.000130   0.000130   0.714986  -0.000029
   30  O  2  S   -3.597843   0.000552  -0.000552  -7.836020   0.000275
   31  O  2  X   -0.000554  -4.107315  -0.000000  -0.000393  -2.081465
   32  O  2  Y    0.000554  -0.000000  -4.107315   0.000393  -0.000000
   33  O  2  Z    5.836120  -0.000394   0.000394   1.484842  -0.000112
   34  O  2 XX   -1.049047   0.000282  -0.000354  -5.021744   0.000146
   35  O  2 YY   -1.049047   0.000354  -0.000282  -5.021744   0.000164
   36  O  2 ZZ   -4.312225   0.000403  -0.000403  -4.704491   0.000177
   37  O  2 XY    0.000000   0.000062  -0.000062   0.000000   0.000015
   38  O  2 XZ    0.000477   0.879595   0.000000   0.000023   0.212771
   39  O  2 YZ   -0.000477   0.000000   0.879595  -0.000023   0.000000
   40  CL 3  S    0.058869  -2.703244   2.703244   1.123252  -2.066562
   41  CL 3  S    0.286275  -3.948814   3.948814   1.631906  -3.144628
   42  CL 3  X   -0.053540   0.482247  -1.260558  -0.522896  -0.182248
   43  CL 3  Y    0.053540  -1.260558   0.482247   0.522896  -0.411246
   44  CL 3  Z   -0.002029  -0.524559   0.524559  -0.557575  -0.170774
   45  CL 3  X   -0.520327   0.636881  -3.165316  -1.291460  -0.722691
   46  CL 3  Y    0.520327  -3.165316   0.636881   1.291460  -1.262585
   47  CL 3  Z   -0.235532  -1.312857   1.312857  -1.950104  -0.517912
   48  CL 4  S    0.058884   2.703055   2.703207   1.123597   2.066441
   49  CL 4  S    0.286362   3.948554   3.948775   1.632417   3.144448
   50  CL 4  X    0.053551   0.482110   1.260476   0.523029  -0.182288
   51  CL 4  Y    0.053554   1.260476   0.482251   0.523059   0.411223
   52  CL 4  Z   -0.002014   0.524693   0.524722  -0.557421   0.170819
   53  CL 4  X    0.520457   0.636559   3.165126   1.291800  -0.722811
   54  CL 4  Y    0.520487   3.165127   0.636910   1.291877   1.262519
   55  CL 4  Z   -0.235378   1.313197   1.313275  -1.949717   0.518049
   56  CL 5  S    0.058899   2.703016  -2.703016   1.123940   2.066437
   57  CL 5  S    0.286448   3.948514  -3.948514   1.632924   3.144444
   58  CL 5  X    0.053565   0.482116  -1.260393   0.523191  -0.182282
   59  CL 5  Y   -0.053565  -1.260393   0.482116  -0.523191  -0.411201
   60  CL 5  Z   -0.001999   0.524855  -0.524855  -0.557266   0.170874
   61  CL 5  X    0.520614   0.636591  -3.164938   1.292214  -0.722790
   62  CL 5  Y   -0.520614  -3.164938   0.636591  -1.292214  -1.262452
   63  CL 5  Z   -0.235225   1.313611  -1.313611  -1.949329   0.518218
   64  CL 6  S    0.058884  -2.703207  -2.703055   1.123597  -2.066557
   65  CL 6  S    0.286362  -3.948775  -3.948554   1.632417  -3.144624
   66  CL 6  X   -0.053554   0.482251   1.260476  -0.523059  -0.182242
   67  CL 6  Y   -0.053551   1.260476   0.482110  -0.523029   0.411223
   68  CL 6  Z   -0.002014  -0.524722  -0.524693  -0.557421  -0.170829
   69  CL 6  X   -0.520487   0.636910   3.165127  -1.291877  -0.722672
   70  CL 6  Y   -0.520457   3.165126   0.636559  -1.291800   1.262519
   71  CL 6  Z   -0.235378  -1.313275  -1.313197  -1.949717  -0.518082

                     11         12         13         14         15

   11  MO 1  Y   -8.004622
   12  MO 1  Z    0.000017  -7.733660
   13  MO 1 XX   -0.000000  -0.010944 -16.965199
   14  MO 1 YY   -0.000001  -0.010944  -6.333582 -16.965199
   15  MO 1 ZZ   -0.000009  -0.154761  -6.359775  -6.359775 -17.359757
   16  MO 1 XY    0.000000   0.000000  -0.000000  -0.000000  -0.000000
   17  MO 1 XZ    0.000000   0.000016   0.000016   0.000004   0.000036
   18  MO 1 YZ   -0.018956  -0.000016  -0.000004  -0.000016  -0.000036
   19  MO 1 XX    0.000009   0.106534  -6.086236  -2.168113  -2.164218
   20  MO 1 YY    0.000023   0.106534  -2.168113  -6.086236  -2.164218
   21  MO 1 ZZ   -0.000038  -0.353201  -2.164218  -2.164218  -6.387433
   22  MO 1 XY   -0.000015   0.000000  -0.000000  -0.000000  -0.000000
   23  MO 1 XZ    0.000000   0.000066   0.000008   0.000000   0.000032
   24  MO 1 YZ    0.184522  -0.000066  -0.000000  -0.000008  -0.000032
   25  O  2  S   -0.000063  -0.900147  -0.006974  -0.006974  -1.047905
   26  O  2  S   -0.000162  -2.299919  -0.229317  -0.229317  -3.277273
   27  O  2  X   -0.000000  -0.000029   0.000070  -0.000021  -0.000315
   28  O  2  Y   -0.488754   0.000029   0.000021  -0.000070   0.000315
   29  O  2  Z    0.000029  -0.077934   0.301807   0.301807   3.176610
   30  O  2  S   -0.000275  -3.910189  -2.009180  -2.009180  -5.797007
   31  O  2  X   -0.000000  -0.000112  -0.000039  -0.000316  -0.000824
   32  O  2  Y   -2.081465   0.000112   0.000316   0.000039   0.000824
   33  O  2  Z    0.000112  -0.484324   4.488426   4.488426   7.752040
   34  O  2 XX   -0.000164  -2.323781  -0.599346  -0.221369  -2.391720
   35  O  2 YY   -0.000146  -2.323781  -0.221369  -0.599346  -2.391720
   36  O  2 ZZ   -0.000177  -2.272758  -1.125523  -1.125523  -6.346144
   37  O  2 XY   -0.000015   0.000000  -0.000000  -0.000000   0.000000
   38  O  2 XZ    0.000000   0.000009  -0.000164   0.000110   0.000711
   39  O  2 YZ    0.212771  -0.000009  -0.000110   0.000164  -0.000711
   40  CL 3  S    2.066562   0.859090  -0.304662  -0.304662  -0.096359
   41  CL 3  S    3.144628   1.304962  -1.220811  -1.220811  -0.780117
   42  CL 3  X   -0.411246  -0.170237   0.196869   0.302214   0.082064
   43  CL 3  Y   -0.182248   0.170237  -0.302214  -0.196869  -0.082064
   44  CL 3  Z    0.170774  -0.520495  -0.125879  -0.125879   0.009363
   45  CL 3  X   -1.262585  -0.512210   1.379113   2.102753   1.285447
   46  CL 3  Y   -0.722691   0.512210  -2.102753  -1.379113  -1.285447
   47  CL 3  Z    0.517912  -1.741320  -0.877969  -0.877969  -0.249961
   48  CL 4  S    2.066557   0.859364  -0.304618  -0.304646  -0.096382
   49  CL 4  S    3.144624   1.305380  -1.220717  -1.220775  -0.780148
   50  CL 4  X    0.411223   0.170282  -0.196819  -0.302182  -0.082085
   51  CL 4  Y   -0.182242   0.170292  -0.302169  -0.196860  -0.082089
   52  CL 4  Z    0.170829  -0.520444  -0.125901  -0.125913   0.009354
   53  CL 4  X    1.262519   0.512347  -1.378895  -2.102581  -1.285441
   54  CL 4  Y   -0.722672   0.512380  -2.102590  -1.379081  -1.285514
   55  CL 4  Z    0.518082  -1.741166  -0.878182  -0.878227  -0.250073
   56  CL 5  S   -2.066437   0.859636  -0.304602  -0.304602  -0.096404
   57  CL 5  S   -3.144444   1.305795  -1.220679  -1.220679  -0.780177
   58  CL 5  X   -0.411201   0.170337  -0.196810  -0.302136  -0.082109
   59  CL 5  Y   -0.182282  -0.170337   0.302136   0.196810   0.082109
   60  CL 5  Z   -0.170874  -0.520393  -0.125934  -0.125934   0.009344
   61  CL 5  X   -1.262452   0.512516  -1.378861  -2.102416  -1.285505
   62  CL 5  Y   -0.722790  -0.512516   2.102416   1.378861   1.285505
   63  CL 5  Z   -0.518218  -1.741011  -0.878437  -0.878437  -0.250184
   64  CL 6  S   -2.066441   0.859364  -0.304646  -0.304618  -0.096382
   65  CL 6  S   -3.144448   1.305380  -1.220775  -1.220717  -0.780148
   66  CL 6  X    0.411223  -0.170292   0.196860   0.302169   0.082089
   67  CL 6  Y   -0.182288  -0.170282   0.302182   0.196819   0.082085
   68  CL 6  Z   -0.170819  -0.520444  -0.125913  -0.125901   0.009354
   69  CL 6  X    1.262519  -0.512380   1.379081   2.102590   1.285514
   70  CL 6  Y   -0.722811  -0.512347   2.102581   1.378895   1.285441
   71  CL 6  Z   -0.518049  -1.741166  -0.878227  -0.878182  -0.250073

                     16         17         18         19         20

   16  MO 1 XY  -16.000656
   17  MO 1 XZ   -0.000007 -16.079235
   18  MO 1 YZ    0.000007  -0.000000 -16.079235
   19  MO 1 XX   -0.000000   0.000008  -0.000000 -11.627033
   20  MO 1 YY   -0.000000   0.000000  -0.000008  -4.158496 -11.627033
   21  MO 1 ZZ   -0.000000   0.000032  -0.000032  -3.943818  -3.943818
   22  MO 1 XY   -5.968357  -0.000001   0.000001  -0.000000  -0.000000
   23  MO 1 XZ   -0.000001  -5.956670  -0.000000  -0.000007  -0.000022
   24  MO 1 YZ    0.000001  -0.000000  -5.956670   0.000022   0.000007
   25  O  2  S    0.000000   0.000127  -0.000127  -0.019068  -0.019068
   26  O  2  S    0.000000   0.000372  -0.000372  -0.367384  -0.367384
   27  O  2  X   -0.000079  -1.118589  -0.000000   0.000185  -0.000013
   28  O  2  Y    0.000079  -0.000000  -1.118589   0.000013  -0.000185
   29  O  2  Z   -0.000000  -0.000429   0.000429   0.182288   0.182288
   30  O  2  S    0.000000   0.000462  -0.000462  -1.793103  -1.793103
   31  O  2  X   -0.000240  -3.413853  -0.000000   0.000383  -0.000140
   32  O  2  Y    0.000240  -0.000000  -3.413853   0.000140  -0.000383
   33  O  2  Z   -0.000000  -0.000638   0.000638   1.992688   1.992688
   34  O  2 XX   -0.000000  -0.000010  -0.000265  -1.163575  -0.423060
   35  O  2 YY   -0.000000   0.000265   0.000010  -0.423060  -1.163575
   36  O  2 ZZ    0.000000   0.000865  -0.000865  -0.612733  -0.612733
   37  O  2 XY   -0.567273   0.000238  -0.000238  -0.000000  -0.000000
   38  O  2 XZ    0.000238   2.812281   0.000000  -0.000196   0.000023
   39  O  2 YZ   -0.000238   0.000000   2.812281  -0.000023   0.000196
   40  CL 3  S    0.435285   0.180480  -0.180480  -2.316124  -2.316124
   41  CL 3  S    0.916341   0.373757  -0.373757  -3.563587  -3.563587
   42  CL 3  X   -0.369096  -0.153090   0.190993   0.274454   1.484187
   43  CL 3  Y    0.369096   0.190993  -0.153090  -1.484187  -0.274454
   44  CL 3  Z    0.191746  -0.011389   0.011389  -0.617151  -0.617151
   45  CL 3  X   -1.071093  -0.434875   0.692562   0.567956   3.651051
   46  CL 3  Y    1.071093   0.692562  -0.434875  -3.651051  -0.567956
   47  CL 3  Z    0.709277  -0.336636   0.336636  -1.511910  -1.511910
   48  CL 4  S   -0.435240  -0.180520  -0.180530  -2.315860  -2.316087
   49  CL 4  S   -0.916270  -0.373850  -0.373871  -3.563274  -3.563542
   50  CL 4  X   -0.369027  -0.153111  -0.191034  -0.274297  -1.484085
   51  CL 4  Y   -0.369058  -0.191034  -0.153133  -1.484017  -0.274464
   52  CL 4  Z   -0.191787   0.011336   0.011337  -0.617278  -0.617342
   53  CL 4  X   -1.070892  -0.434936  -0.692737  -0.567670  -3.650823
   54  CL 4  Y   -1.071023  -0.692738  -0.435013  -3.650748  -0.567977
   55  CL 4  Z   -0.709452   0.336419   0.336435  -1.512268  -1.512387
   56  CL 5  S    0.435193  -0.180568   0.180568  -2.315820  -2.315820
   57  CL 5  S    0.916199  -0.373963   0.373963  -3.563227  -3.563227
   58  CL 5  X    0.368988  -0.153153   0.191074  -0.274308  -1.483914
   59  CL 5  Y   -0.368988   0.191074  -0.153153   1.483914   0.274308
   60  CL 5  Z    0.191827   0.011284  -0.011284  -0.617467  -0.617467
   61  CL 5  X    1.070822  -0.435073   0.692911  -0.567694  -3.650519
   62  CL 5  Y   -1.070822   0.692911  -0.435073   3.650519   0.567694
   63  CL 5  Z    0.709624   0.336218  -0.336218  -1.512742  -1.512742
   64  CL 6  S   -0.435240   0.180530   0.180520  -2.316087  -2.315860
   65  CL 6  S   -0.916270   0.373871   0.373850  -3.563542  -3.563274
   66  CL 6  X    0.369058  -0.153133  -0.191034   0.274464   1.484017
   67  CL 6  Y    0.369027  -0.191034  -0.153111   1.484085   0.274297
   68  CL 6  Z   -0.191787  -0.011337  -0.011336  -0.617342  -0.617278
   69  CL 6  X    1.071023  -0.435013  -0.692738   0.567977   3.650748
   70  CL 6  Y    1.070892  -0.692737  -0.434936   3.650823   0.567670
   71  CL 6  Z   -0.709452  -0.336435  -0.336419  -1.512387  -1.512268

                     21         22         23         24         25

   21  MO 1 ZZ  -11.971376
   22  MO 1 XY   -0.000000 -12.004287
   23  MO 1 XZ    0.000060   0.000038 -11.360254
   24  MO 1 YZ   -0.000060  -0.000038  -0.000000 -11.360254
   25  O  2  S   -3.045727   0.000000   0.000369  -0.000369 -40.671275
   26  O  2  S   -6.883863   0.000000   0.000795  -0.000795  -9.149409
   27  O  2  X   -0.000258  -0.000171  -2.430342  -0.000000  -0.000009
   28  O  2  Y    0.000258   0.000171  -0.000000  -2.430342   0.000009
   29  O  2  Z    0.858195  -0.000000  -0.000254   0.000254   0.134379
   30  O  2  S   -9.225552   0.000000   0.000907  -0.000907  -6.647507
   31  O  2  X   -0.000631  -0.000453  -6.438405  -0.000000  -0.000001
   32  O  2  Y    0.000631   0.000453  -0.000000  -6.438405   0.000001
   33  O  2  Z    1.532354  -0.000000  -0.000397   0.000397   0.018517
   34  O  2 XX   -6.107299   0.000000   0.000475  -0.000693  -1.355510
   35  O  2 YY   -6.107299   0.000000   0.000693  -0.000475  -1.355510
   36  O  2 ZZ   -5.798230   0.000000   0.000761  -0.000761  -1.358510
   37  O  2 XY    0.000000  -1.111413   0.000189  -0.000189   0.000000
   38  O  2 XZ    0.000091   0.000189   1.578132   0.000000   0.000000
   39  O  2 YZ   -0.000091  -0.000189   0.000000   1.578132  -0.000000
   40  CL 3  S   -0.642011   3.501818   1.455513  -1.455513  -0.000000
   41  CL 3  S   -1.572988   4.130039   1.716838  -1.716838  -0.006142
   42  CL 3  X    0.362615  -1.298036  -0.538228   0.973974   0.000000
   43  CL 3  Y   -0.362615   1.298036   0.973974  -0.538228  -0.000000
   44  CL 3  Z    0.349852   0.975473  -0.638774   0.638774  -0.000000
   45  CL 3  X    1.575042  -1.620338  -0.659834   1.779430   0.008487
   46  CL 3  Y   -1.575042   1.620338   1.779430  -0.659834  -0.008487
   47  CL 3  Z    0.590649   1.782447  -1.905110   1.905110  -0.011899
   48  CL 4  S   -0.642222  -3.501570  -1.455878  -1.455959  -0.000000
   49  CL 4  S   -1.573225  -4.129773  -1.717282  -1.717375  -0.006142
   50  CL 4  X   -0.362739  -1.297771  -0.538291  -0.974221  -0.000000
   51  CL 4  Y   -0.362760  -1.297961  -0.974221  -0.538400  -0.000000
   52  CL 4  Z    0.349893  -0.975720   0.638459   0.638494  -0.000000
   53  CL 4  X   -1.575202  -1.619886  -0.659865  -1.779895  -0.008485
   54  CL 4  Y   -1.575297  -1.620278  -1.779903  -0.660063  -0.008487
   55  CL 4  Z    0.590722  -1.782913   1.904497   1.904597  -0.011900
   56  CL 5  S   -0.642431   3.501320  -1.456320   1.456320  -0.000000
   57  CL 5  S   -1.573459   4.129505  -1.717815   1.717815  -0.006141
   58  CL 5  X   -0.362882   1.297697  -0.538463   0.974466  -0.000000
   59  CL 5  Y    0.362882  -1.297697   0.974466  -0.538463   0.000000
   60  CL 5  Z    0.349933   0.975965   0.638179  -0.638179  -0.000000
   61  CL 5  X   -1.575454   1.619830  -0.660094   1.780365  -0.008485
   62  CL 5  Y    1.575454  -1.619830   1.780365  -0.660094   0.008485
   63  CL 5  Z    0.590793   1.783375   1.903984  -1.903984  -0.011901
   64  CL 6  S   -0.642222  -3.501570   1.455959   1.455878  -0.000000
   65  CL 6  S   -1.573225  -4.129773   1.717375   1.717282  -0.006142
   66  CL 6  X    0.362760   1.297961  -0.538400  -0.974221   0.000000
   67  CL 6  Y    0.362739   1.297771  -0.974221  -0.538291   0.000000
   68  CL 6  Z    0.349893  -0.975720  -0.638494  -0.638459  -0.000000
   69  CL 6  X    1.575297   1.620278  -0.660063  -1.779903   0.008487
   70  CL 6  Y    1.575202   1.619886  -1.779895  -0.659865   0.008485
   71  CL 6  Z    0.590722  -1.782913  -1.904597  -1.904497  -0.011900

                     26         27         28         29         30

   26  O  2  S  -17.550184
   27  O  2  X   -0.000064 -16.035663
   28  O  2  Y    0.000064   0.000000 -16.035663
   29  O  2  Z    0.916852   0.000017  -0.000017 -16.272238
   30  O  2  S  -13.216746  -0.000063   0.000063   0.891911 -14.954794
   31  O  2  X   -0.000043  -7.527204   0.000000   0.000017  -0.000124
   32  O  2  Y    0.000043   0.000000  -7.527204  -0.000017   0.000124
   33  O  2  Z    0.608223   0.000017  -0.000017  -7.770583   1.763012
   34  O  2 XX   -8.765706  -0.000083   0.000028   0.391927  -9.977090
   35  O  2 YY   -8.765706  -0.000028   0.000083   0.391927  -9.977090
   36  O  2 ZZ   -8.977091  -0.000036   0.000036   1.291275 -10.423305
   37  O  2 XY    0.000000   0.000048  -0.000048  -0.000000   0.000000
   38  O  2 XZ    0.000026   0.678838  -0.000000  -0.000062   0.000055
   39  O  2 YZ   -0.000026  -0.000000   0.678838   0.000062  -0.000055
   40  CL 3  S   -0.000045  -0.000057   0.000057   0.000084  -0.014016
   41  CL 3  S   -0.033264  -0.019366   0.019366   0.030401  -0.209444
   42  CL 3  X    0.000008   0.000011  -0.000013  -0.000019   0.008127
   43  CL 3  Y   -0.000008  -0.000013   0.000011   0.000019  -0.008127
   44  CL 3  Z   -0.000012  -0.000018   0.000018   0.000024  -0.010852
   45  CL 3  X    0.047064   0.020747  -0.030033  -0.046904   0.276001
   46  CL 3  Y   -0.047064  -0.030033   0.020747   0.046904  -0.276001
   47  CL 3  Z   -0.064792  -0.041453   0.041453   0.054753  -0.351557
   48  CL 4  S   -0.000045   0.000057   0.000057   0.000084  -0.014015
   49  CL 4  S   -0.033263   0.019361   0.019366   0.030403  -0.209439
   50  CL 4  X   -0.000008   0.000011   0.000013   0.000019  -0.008125
   51  CL 4  Y   -0.000008   0.000013   0.000011   0.000019  -0.008126
   52  CL 4  Z   -0.000012   0.000018   0.000018   0.000024  -0.010853
   53  CL 4  X   -0.047054   0.020734   0.030027   0.046898  -0.275948
   54  CL 4  Y   -0.047063   0.030026   0.020746   0.046907  -0.275996
   55  CL 4  Z   -0.064797   0.041447   0.041456   0.054763  -0.351587
   56  CL 5  S   -0.000045   0.000057  -0.000057   0.000084  -0.014015
   57  CL 5  S   -0.033262   0.019361  -0.019361   0.030405  -0.209435
   58  CL 5  X   -0.000008   0.000011  -0.000013   0.000019  -0.008125
   59  CL 5  Y    0.000008  -0.000013   0.000011  -0.000019   0.008125
   60  CL 5  Z   -0.000012   0.000018  -0.000018   0.000024  -0.010853
   61  CL 5  X   -0.047053   0.020734  -0.030020   0.046901  -0.275943
   62  CL 5  Y    0.047053  -0.030020   0.020734  -0.046901   0.275943
   63  CL 5  Z   -0.064801   0.041450  -0.041450   0.054774  -0.351617
   64  CL 6  S   -0.000045  -0.000057  -0.000057   0.000084  -0.014015
   65  CL 6  S   -0.033263  -0.019366  -0.019361   0.030403  -0.209439
   66  CL 6  X    0.000008   0.000011   0.000013  -0.000019   0.008126
   67  CL 6  Y    0.000008   0.000013   0.000011  -0.000019   0.008125
   68  CL 6  Z   -0.000012  -0.000018  -0.000018   0.000024  -0.010853
   69  CL 6  X    0.047063   0.020746   0.030026  -0.046907   0.275996
   70  CL 6  Y    0.047054   0.030027   0.020734  -0.046898   0.275948
   71  CL 6  Z   -0.064797  -0.041456  -0.041447   0.054763  -0.351587

                     31         32         33         34         35

   31  O  2  X  -12.056402
   32  O  2  Y    0.000000 -12.056402
   33  O  2  Z    0.000085  -0.000085 -13.260831
   34  O  2 XX   -0.000119   0.000040   0.564718 -12.813722
   35  O  2 YY   -0.000040   0.000119   0.564718  -4.982716 -12.813722
   36  O  2 ZZ   -0.000062   0.000062   2.006661  -5.104726  -5.104726
   37  O  2 XY    0.000069  -0.000069  -0.000000   0.000000   0.000000
   38  O  2 XZ    0.978120  -0.000000  -0.000107   0.000045   0.000015
   39  O  2 YZ   -0.000000   0.978120   0.000107  -0.000015  -0.000045
   40  CL 3  S   -0.028414   0.028414   0.041368  -0.000344  -0.000344
   41  CL 3  S   -0.233240   0.233240   0.386642  -0.053765  -0.053765
   42  CL 3  X    0.013792  -0.018295  -0.026378   0.000088   0.000114
   43  CL 3  Y   -0.018295   0.013792   0.026378  -0.000114  -0.000088
   44  CL 3  Z   -0.024529   0.024529   0.030704  -0.000157  -0.000157
   45  CL 3  X    0.185378  -0.322953  -0.542275   0.059998   0.080068
   46  CL 3  Y   -0.322953   0.185378   0.542275  -0.080068  -0.059998
   47  CL 3  Z   -0.422327   0.422327   0.537387  -0.109773  -0.109773
   48  CL 4  S    0.028408   0.028413   0.041371  -0.000344  -0.000344
   49  CL 4  S    0.233183   0.233237   0.386666  -0.053756  -0.053764
   50  CL 4  X    0.013785   0.018291   0.026375  -0.000088  -0.000114
   51  CL 4  Y    0.018291   0.013792   0.026380  -0.000114  -0.000088
   52  CL 4  Z    0.024526   0.024531   0.030709  -0.000157  -0.000157
   53  CL 4  X    0.185243   0.322891   0.542216  -0.059973  -0.080052
   54  CL 4  Y    0.322874   0.185378   0.542310  -0.080054  -0.059997
   55  CL 4  Z    0.422271   0.422365   0.537507  -0.109763  -0.109781
   56  CL 5  S    0.028407  -0.028407   0.041373  -0.000344  -0.000344
   57  CL 5  S    0.233180  -0.233180   0.386689  -0.053755  -0.053755
   58  CL 5  X    0.013785  -0.018287   0.026377  -0.000088  -0.000114
   59  CL 5  Y   -0.018287   0.013785  -0.026377   0.000114   0.000088
   60  CL 5  Z    0.024528  -0.024528   0.030715  -0.000157  -0.000157
   61  CL 5  X    0.185244  -0.322813   0.542250  -0.059972  -0.080037
   62  CL 5  Y   -0.322813   0.185244  -0.542250   0.080037   0.059972
   63  CL 5  Z    0.422308  -0.422308   0.537625  -0.109771  -0.109771
   64  CL 6  S   -0.028413  -0.028408   0.041371  -0.000344  -0.000344
   65  CL 6  S   -0.233237  -0.233183   0.386666  -0.053764  -0.053756
   66  CL 6  X    0.013792   0.018291  -0.026380   0.000088   0.000114
   67  CL 6  Y    0.018291   0.013785  -0.026375   0.000114   0.000088
   68  CL 6  Z   -0.024531  -0.024526   0.030709  -0.000157  -0.000157
   69  CL 6  X    0.185378   0.322874  -0.542310   0.059997   0.080054
   70  CL 6  Y    0.322891   0.185243  -0.542216   0.080052   0.059973
   71  CL 6  Z   -0.422365  -0.422271   0.537507  -0.109781  -0.109763

                     36         37         38         39         40

   36  O  2 ZZ  -13.688317
   37  O  2 XY    0.000000 -11.748149
   38  O  2 XZ    0.000062  -0.000026 -12.114179
   39  O  2 YZ   -0.000062   0.000026   0.000000 -12.114179
   40  CL 3  S   -0.000656   0.000458   0.000670  -0.000670 -11.659103
   41  CL 3  S   -0.085039   0.031707   0.050020  -0.050020 -10.048620
   42  CL 3  X    0.000221  -0.000143  -0.000207   0.000240   0.588108
   43  CL 3  Y   -0.000221   0.000143   0.000240  -0.000207  -0.588108
   44  CL 3  Z   -0.000263   0.000228   0.000306  -0.000306  -0.245577
   45  CL 3  X    0.131704  -0.036055  -0.056737   0.083919   0.489748
   46  CL 3  Y   -0.131704   0.036055   0.083919  -0.056737  -0.489748
   47  CL 3  Z   -0.144199   0.073324   0.096381  -0.096381  -0.204505
   48  CL 4  S   -0.000656  -0.000457  -0.000670  -0.000670  -0.001267
   49  CL 4  S   -0.085045  -0.031700  -0.050011  -0.050023  -0.079097
   50  CL 4  X   -0.000221  -0.000143  -0.000207  -0.000240  -0.001106
   51  CL 4  Y   -0.000221  -0.000143  -0.000240  -0.000207  -0.000016
   52  CL 4  Z   -0.000263  -0.000228  -0.000306  -0.000306  -0.000007
   53  CL 4  X   -0.131690  -0.036033  -0.056706  -0.083910  -0.213337
   54  CL 4  Y   -0.131715  -0.036047  -0.083906  -0.056742  -0.003430
   55  CL 4  Z   -0.144228  -0.073314  -0.096378  -0.096400  -0.001540
   56  CL 5  S   -0.000656   0.000457  -0.000670   0.000670  -0.000000
   57  CL 5  S   -0.085050   0.031693  -0.050014   0.050014  -0.000626
   58  CL 5  X   -0.000221   0.000143  -0.000207   0.000240  -0.000000
   59  CL 5  Y    0.000221  -0.000143   0.000240  -0.000207   0.000000
   60  CL 5  Z   -0.000263   0.000228  -0.000306   0.000306  -0.000000
   61  CL 5  X   -0.131700   0.036025  -0.056710   0.083896  -0.001133
   62  CL 5  Y    0.131700  -0.036025   0.083896  -0.056710   0.001133
   63  CL 5  Z   -0.144257   0.073304  -0.096397   0.096397  -0.000018
   64  CL 6  S   -0.000656  -0.000457   0.000670   0.000670  -0.001267
   65  CL 6  S   -0.085045  -0.031700   0.050023   0.050011  -0.079097
   66  CL 6  X    0.000221   0.000143  -0.000207  -0.000240   0.000016
   67  CL 6  Y    0.000221   0.000143  -0.000240  -0.000207   0.001106
   68  CL 6  Z   -0.000263  -0.000228   0.000306   0.000306  -0.000007
   69  CL 6  X    0.131715   0.036047  -0.056742  -0.083906   0.003430
   70  CL 6  Y    0.131690   0.036033  -0.083910  -0.056706   0.213337
   71  CL 6  Z   -0.144228  -0.073314   0.096400   0.096378  -0.001540

                     41         42         43         44         45

   41  CL 3  S  -11.374306
   42  CL 3  X    0.541342 -11.258739
   43  CL 3  Y   -0.541342   0.086709 -11.258739
   44  CL 3  Z   -0.226049   0.042763  -0.042763 -11.171121
   45  CL 3  X    0.913451  -7.108588   0.084443   0.041646  -9.927492
   46  CL 3  Y   -0.913451   0.084443  -7.108588  -0.041646   0.293774
   47  CL 3  Z   -0.381432   0.041646  -0.041646  -7.023259   0.144987
   48  CL 4  S   -0.079097   0.001106  -0.000016  -0.000007   0.213337
   49  CL 4  S   -0.394249   0.088212  -0.003479  -0.001526   0.842933
   50  CL 4  X   -0.088211   0.000826  -0.000008  -0.000004   0.241558
   51  CL 4  Y   -0.003480   0.000008  -0.000034  -0.000000   0.009384
   52  CL 4  Z   -0.001538   0.000004  -0.000000  -0.000033   0.004148
   53  CL 4  X   -0.842930   0.241559  -0.009383  -0.004113   1.712295
   54  CL 4  Y   -0.047288   0.003085  -0.022391  -0.000261   0.101568
   55  CL 4  Z   -0.021337   0.001392  -0.000262  -0.021920   0.045827
   56  CL 5  S   -0.000626   0.000000  -0.000000  -0.000000   0.001133
   57  CL 5  S   -0.017707   0.000469  -0.000469  -0.000013   0.032071
   58  CL 5  X   -0.000469   0.000000  -0.000000  -0.000000   0.000809
   59  CL 5  Y    0.000469  -0.000000   0.000000   0.000000  -0.000881
   60  CL 5  Z   -0.000013   0.000000  -0.000000  -0.000000   0.000023
   61  CL 5  X   -0.032071   0.000809  -0.000881  -0.000023   0.054746
   62  CL 5  Y    0.032071  -0.000881   0.000809   0.000023  -0.061938
   63  CL 5  Z   -0.002191   0.000009  -0.000009  -0.000073   0.004037
   64  CL 6  S   -0.079097   0.000016  -0.001106  -0.000007   0.003429
   65  CL 6  S   -0.394249   0.003479  -0.088212  -0.001526   0.047283
   66  CL 6  X    0.003480  -0.000034   0.000008   0.000000  -0.022391
   67  CL 6  Y    0.088211  -0.000008   0.000826   0.000004  -0.003084
   68  CL 6  Z   -0.001538   0.000000  -0.000004  -0.000033   0.000261
   69  CL 6  X    0.047288  -0.022391   0.003085   0.000261  -0.267481
   70  CL 6  Y    0.842930  -0.009383   0.241559   0.004113  -0.101554
   71  CL 6  Z   -0.021337   0.000262  -0.001392  -0.021920   0.011426

                     46         47         48         49         50

   46  CL 3  Y   -9.927492
   47  CL 3  Z   -0.144987  -9.630390
   48  CL 4  S   -0.003429  -0.001511 -11.659075
   49  CL 4  S   -0.047283  -0.021222 -10.048596 -11.374278
   50  CL 4  X   -0.003084  -0.001356  -0.588070  -0.541308 -11.258700
   51  CL 4  Y   -0.022391  -0.000261  -0.588103  -0.541338  -0.086702
   52  CL 4  Z   -0.000261  -0.021919  -0.245654  -0.226120  -0.042774
   53  CL 4  X   -0.101554  -0.045560  -0.489717  -0.913392  -7.108559
   54  CL 4  Y   -0.267481  -0.011413  -0.489744  -0.913443  -0.084436
   55  CL 4  Z   -0.011426  -0.247424  -0.204569  -0.381551  -0.041656
   56  CL 5  S   -0.001133  -0.000018  -0.001267  -0.079091  -0.000016
   57  CL 5  S   -0.032071  -0.002182  -0.079092  -0.394229  -0.003479
   58  CL 5  X   -0.000881  -0.000009  -0.000016  -0.003479  -0.000034
   59  CL 5  Y    0.000809   0.000009   0.001106   0.088205   0.000008
   60  CL 5  Z   -0.000023  -0.000073  -0.000007  -0.001538  -0.000000
   61  CL 5  X   -0.061938  -0.004020  -0.003430  -0.047283  -0.022390
   62  CL 5  Y    0.054746   0.004020   0.213322   0.842892   0.009381
   63  CL 5  Z   -0.004037  -0.007854  -0.001540  -0.021342  -0.000262
   64  CL 6  S   -0.213337  -0.001511  -0.000000  -0.000626  -0.000000
   65  CL 6  S   -0.842933  -0.021222  -0.000626  -0.017707  -0.000469
   66  CL 6  X    0.009384   0.000261   0.000000   0.000469   0.000000
   67  CL 6  Y    0.241558   0.001356   0.000000   0.000469   0.000000
   68  CL 6  Z   -0.004148  -0.021919  -0.000000  -0.000013  -0.000000
   69  CL 6  X    0.101568   0.011413   0.001133   0.032071   0.000809
   70  CL 6  Y    1.712295   0.045560   0.001133   0.032071   0.000881
   71  CL 6  Z   -0.045827  -0.247424  -0.000018  -0.002187  -0.000009

                     51         52         53         54         55

   51  CL 4  Y  -11.258711
   52  CL 4  Z   -0.042774 -11.171105
   53  CL 4  X   -0.084436  -0.041656  -9.927425
   54  CL 4  Y   -7.108570  -0.041656  -0.293751  -9.927462
   55  CL 4  Z   -0.041656  -7.023253  -0.145024  -0.145024  -9.630404
   56  CL 5  S   -0.001106  -0.000007  -0.003428  -0.213322  -0.001511
   57  CL 5  S   -0.088206  -0.001526  -0.047277  -0.842895  -0.021228
   58  CL 5  X   -0.000008  -0.000000  -0.022389  -0.009383  -0.000261
   59  CL 5  Y    0.000826   0.000004   0.003083   0.241542   0.001356
   60  CL 5  Z   -0.000004  -0.000033  -0.000261  -0.004149  -0.021918
   61  CL 5  X   -0.003085  -0.000261  -0.267463  -0.101557  -0.011415
   62  CL 5  Y    0.241543   0.004114   0.101542   1.712229   0.045572
   63  CL 5  Z   -0.001392  -0.021918  -0.011428  -0.045838  -0.247414
   64  CL 6  S   -0.000000  -0.000000  -0.001133  -0.001133  -0.000018
   65  CL 6  S   -0.000469  -0.000013  -0.032071  -0.032071  -0.002187
   66  CL 6  X    0.000000   0.000000   0.000809   0.000881   0.000009
   67  CL 6  Y    0.000000   0.000000   0.000881   0.000809   0.000009
   68  CL 6  Z   -0.000000  -0.000000  -0.000023  -0.000023  -0.000073
   69  CL 6  X    0.000881   0.000023   0.054746   0.061939   0.004029
   70  CL 6  Y    0.000809   0.000023   0.061938   0.054746   0.004029
   71  CL 6  Z   -0.000009  -0.000073  -0.004029  -0.004029  -0.007854

                     56         57         58         59         60

   56  CL 5  S  -11.659046
   57  CL 5  S  -10.048571 -11.374249
   58  CL 5  X   -0.588065  -0.541303 -11.258669
   59  CL 5  Y    0.588065   0.541303   0.086695 -11.258669
   60  CL 5  Z   -0.245730  -0.226190  -0.042785   0.042785 -11.171088
   61  CL 5  X   -0.489713  -0.913384  -7.108540   0.084429  -0.041667
   62  CL 5  Y    0.489713   0.913384   0.084429  -7.108540   0.041667
   63  CL 5  Z   -0.204632  -0.381670  -0.041667   0.041667  -7.023247
   64  CL 6  S   -0.001267  -0.079092  -0.001106   0.000016  -0.000007
   65  CL 6  S   -0.079091  -0.394229  -0.088205   0.003479  -0.001538
   66  CL 6  X    0.001106   0.088206   0.000826  -0.000008   0.000004
   67  CL 6  Y    0.000016   0.003479   0.000008  -0.000034   0.000000
   68  CL 6  Z   -0.000007  -0.001526  -0.000004   0.000000  -0.000033
   69  CL 6  X    0.213322   0.842895   0.241542  -0.009383   0.004149
   70  CL 6  Y    0.003428   0.047277   0.003083  -0.022389   0.000261
   71  CL 6  Z   -0.001511  -0.021228  -0.001356   0.000261  -0.021918

                     61         62         63         64         65

   61  CL 5  X   -9.927393
   62  CL 5  Y    0.293727  -9.927393
   63  CL 5  Z   -0.145061   0.145061  -9.630416
   64  CL 6  S   -0.213322   0.003430  -0.001540 -11.659075
   65  CL 6  S   -0.842892   0.047283  -0.021342 -10.048596 -11.374278
   66  CL 6  X    0.241543  -0.003085   0.001392   0.588103   0.541338
   67  CL 6  Y    0.009381  -0.022390   0.000262   0.588070   0.541308
   68  CL 6  Z   -0.004114   0.000261  -0.021918  -0.245654  -0.226120
   69  CL 6  X    1.712229  -0.101557   0.045838   0.489744   0.913443
   70  CL 6  Y    0.101542  -0.267463   0.011428   0.489717   0.913392
   71  CL 6  Z   -0.045572   0.011415  -0.247414  -0.204569  -0.381551

                     66         67         68         69         70

   66  CL 6  X  -11.258711
   67  CL 6  Y   -0.086702 -11.258700
   68  CL 6  Z    0.042774   0.042774 -11.171105
   69  CL 6  X   -7.108570  -0.084436   0.041656  -9.927462
   70  CL 6  Y   -0.084436  -7.108559   0.041656  -0.293751  -9.927425
   71  CL 6  Z    0.041656   0.041656  -7.023253   0.145024   0.145024

                     71

   71  CL 6  Z   -9.630404
 KINETIC ENERGY INTEGRALS

                      1          2          3          4          5

    1  MO 1  S    1.177940
    2  MO 1  S   -1.251991   1.512739
    3  MO 1  S    0.043339   0.001695   0.063450
    4  MO 1  X    0.000000  -0.000000   0.000000   1.833865
    5  MO 1  Y   -0.000000   0.000000   0.000000  -0.000000   1.833865
    6  MO 1  Z    0.000000  -0.000000   0.000000  -0.000000   0.000000
    7  MO 1  X    0.000000  -0.000000  -0.000000  -0.037055   0.000000
    8  MO 1  Y   -0.000000   0.000000   0.000000   0.000000  -0.037055
    9  MO 1  Z    0.000000  -0.000000  -0.000000  -0.000000   0.000000
   10  MO 1  X    0.000000  -0.000000   0.000000   0.011280   0.000000
   11  MO 1  Y   -0.000000   0.000000   0.000000   0.000000   0.011280
   12  MO 1  Z    0.000000  -0.000000   0.000000   0.000000   0.000000
   13  MO 1 XX    0.456753  -0.380548   0.046343   0.000000   0.000000
   14  MO 1 YY    0.456753  -0.380548   0.046343  -0.000000   0.000000
   15  MO 1 ZZ    0.456753  -0.380548   0.046343  -0.000000   0.000000
   16  MO 1 XY   -0.000000   0.000000  -0.000000   0.000000  -0.000000
   17  MO 1 XZ    0.000000  -0.000000   0.000000   0.000000  -0.000000
   18  MO 1 YZ   -0.000000   0.000000   0.000000  -0.000000   0.000000
   19  MO 1 XX   -0.081239   0.133042   0.049966   0.000000   0.000000
   20  MO 1 YY   -0.081239   0.133042   0.049966   0.000000   0.000000
   21  MO 1 ZZ   -0.081239   0.133042   0.049966   0.000000   0.000000
   22  MO 1 XY    0.000000  -0.000000   0.000000   0.000000   0.000000
   23  MO 1 XZ   -0.000000   0.000000   0.000000   0.000000   0.000000
   24  MO 1 YZ    0.000000  -0.000000   0.000000   0.000000   0.000000
   25  O  2  S   -0.004670   0.007447   0.002545   0.000001  -0.000001
   26  O  2  S   -0.037940   0.062432   0.015111   0.000003  -0.000003
   27  O  2  X   -0.000003   0.000006   0.000000  -0.011270  -0.000000
   28  O  2  Y    0.000003  -0.000006  -0.000000  -0.000000  -0.011270
   29  O  2  Z    0.038368  -0.083969  -0.005706  -0.000002   0.000002
   30  O  2  S   -0.017392   0.056828   0.032149  -0.000003   0.000003
   31  O  2  X    0.000005   0.000000   0.000002   0.027300   0.000000
   32  O  2  Y   -0.000005  -0.000000  -0.000002   0.000000   0.027300
   33  O  2  Z   -0.075701  -0.000901  -0.027269   0.000018  -0.000018
   34  O  2 XX   -0.037191   0.055526   0.017523   0.000003  -0.000003
   35  O  2 YY   -0.037191   0.055526   0.017523   0.000003  -0.000003
   36  O  2 ZZ   -0.036846   0.091370   0.019784  -0.000005   0.000005
   37  O  2 XY   -0.000000  -0.000000  -0.000000   0.000000  -0.000000
   38  O  2 XZ   -0.000000  -0.000004  -0.000000   0.002237  -0.000000
   39  O  2 YZ    0.000000   0.000004   0.000000  -0.000000   0.002237
   40  CL 3  S   -0.008227  -0.002620   0.008901  -0.011064   0.011064
   41  CL 3  S   -0.014867   0.014521   0.016776  -0.003548   0.003548
   42  CL 3  X    0.007080  -0.007106  -0.005653   0.007821  -0.010506
   43  CL 3  Y   -0.007080   0.007106   0.005653  -0.010506   0.007821
   44  CL 3  Z   -0.002944   0.002955   0.002351  -0.004369   0.004369
   45  CL 3  X    0.011929  -0.034785  -0.019498  -0.012996   0.008708
   46  CL 3  Y   -0.011929   0.034785   0.019498   0.008708  -0.012996
   47  CL 3  Z   -0.004960   0.014465   0.008108   0.003621  -0.003621
   48  CL 4  S   -0.008226  -0.002621   0.008901   0.011063   0.011063
   49  CL 4  S   -0.014867   0.014521   0.016775   0.003548   0.003549
   50  CL 4  X   -0.007080   0.007104   0.005653   0.007820   0.010505
   51  CL 4  Y   -0.007080   0.007105   0.005653   0.010505   0.007821
   52  CL 4  Z   -0.002945   0.002955   0.002352   0.004370   0.004370
   53  CL 4  X   -0.011928   0.034783   0.019497  -0.012995  -0.008707
   54  CL 4  Y   -0.011929   0.034785   0.019498  -0.008707  -0.012996
   55  CL 4  Z   -0.004962   0.014469   0.008110  -0.003622  -0.003622
   56  CL 5  S   -0.008226  -0.002621   0.008901   0.011062  -0.011062
   57  CL 5  S   -0.014867   0.014520   0.016775   0.003549  -0.003549
   58  CL 5  X   -0.007079   0.007103   0.005653   0.007819  -0.010504
   59  CL 5  Y    0.007079  -0.007103  -0.005653  -0.010504   0.007819
   60  CL 5  Z   -0.002946   0.002956   0.002352   0.004371  -0.004371
   61  CL 5  X   -0.011929   0.034783   0.019496  -0.012994   0.008705
   62  CL 5  Y    0.011929  -0.034783  -0.019496   0.008705  -0.012994
   63  CL 5  Z   -0.004964   0.014474   0.008113  -0.003622   0.003622
   64  CL 6  S   -0.008226  -0.002621   0.008901  -0.011063  -0.011063
   65  CL 6  S   -0.014867   0.014521   0.016775  -0.003549  -0.003548
   66  CL 6  X    0.007080  -0.007105  -0.005653   0.007821   0.010505
   67  CL 6  Y    0.007080  -0.007104  -0.005653   0.010505   0.007820
   68  CL 6  Z   -0.002945   0.002955   0.002352  -0.004370  -0.004370
   69  CL 6  X    0.011929  -0.034785  -0.019498  -0.012996  -0.008707
   70  CL 6  Y    0.011928  -0.034783  -0.019497  -0.008707  -0.012995
   71  CL 6  Z   -0.004962   0.014469   0.008110   0.003622   0.003622

                      6          7          8          9         10

    6  MO 1  Z    1.833865
    7  MO 1  X   -0.000000   0.194999
    8  MO 1  Y    0.000000  -0.000000   0.194999
    9  MO 1  Z   -0.037055   0.000000  -0.000000   0.194999
   10  MO 1  X    0.000000   0.064206   0.000000   0.000000   0.061750
   11  MO 1  Y    0.000000   0.000000   0.064206   0.000000   0.000000
   12  MO 1  Z    0.011280   0.000000   0.000000   0.064206   0.000000
   13  MO 1 XX    0.000000   0.000000  -0.000000   0.000000   0.000000
   14  MO 1 YY    0.000000   0.000000   0.000000   0.000000   0.000000
   15  MO 1 ZZ   -0.000000   0.000000  -0.000000   0.000000   0.000000
   16  MO 1 XY   -0.000000  -0.000000   0.000000  -0.000000   0.000000
   17  MO 1 XZ   -0.000000   0.000000  -0.000000   0.000000   0.000000
   18  MO 1 YZ    0.000000  -0.000000   0.000000  -0.000000   0.000000
   19  MO 1 XX    0.000000   0.000000   0.000000  -0.000000   0.000000
   20  MO 1 YY    0.000000  -0.000000   0.000000  -0.000000   0.000000
   21  MO 1 ZZ    0.000000  -0.000000   0.000000   0.000000   0.000000
   22  MO 1 XY    0.000000   0.000000  -0.000000  -0.000000   0.000000
   23  MO 1 XZ    0.000000  -0.000000  -0.000000  -0.000000   0.000000
   24  MO 1 YZ    0.000000  -0.000000  -0.000000   0.000000   0.000000
   25  O  2  S   -0.008716  -0.000001   0.000001   0.017117  -0.000000
   26  O  2  S   -0.046705  -0.000006   0.000006   0.087178  -0.000001
   27  O  2  X   -0.000002   0.021088   0.000000   0.000003   0.003501
   28  O  2  Y    0.000002   0.000000   0.021088  -0.000003   0.000000
   29  O  2  Z    0.018480   0.000003  -0.000003  -0.024543   0.000000
   30  O  2  S    0.045296  -0.000009   0.000009   0.127690  -0.000002
   31  O  2  X    0.000018   0.076959   0.000000   0.000008   0.018646
   32  O  2  Y   -0.000018   0.000000   0.076959  -0.000008   0.000000
   33  O  2  Z   -0.230938   0.000008  -0.000008  -0.041452   0.000001
   34  O  2 XX   -0.047678  -0.000005   0.000007   0.094836  -0.000001
   35  O  2 YY   -0.047678  -0.000007   0.000005   0.094836  -0.000001
   36  O  2 ZZ    0.076797  -0.000007   0.000007   0.067620  -0.000001
   37  O  2 XY   -0.000000  -0.000002   0.000002   0.000000  -0.000000
   38  O  2 XZ   -0.000015  -0.022397   0.000000   0.000002  -0.001418
   39  O  2 YZ    0.000015   0.000000  -0.022397  -0.000002  -0.000000
   40  CL 3  S    0.004601   0.031208  -0.031208  -0.012977   0.016257
   41  CL 3  S    0.001475   0.047879  -0.047879  -0.019910   0.026016
   42  CL 3  X   -0.004369  -0.018660   0.027609   0.011481   0.001217
   43  CL 3  Y    0.004369   0.027609  -0.018660  -0.011481   0.003669
   44  CL 3  Z   -0.000868   0.011481  -0.011481   0.004175   0.001526
   45  CL 3  X    0.003621  -0.032890   0.066595   0.027692   0.005745
   46  CL 3  Y   -0.003621   0.066595  -0.032890  -0.027692   0.012305
   47  CL 3  Z   -0.005794   0.027692  -0.027692   0.022189   0.005117
   48  CL 4  S    0.004602  -0.031206  -0.031207  -0.012981  -0.016256
   49  CL 4  S    0.001476  -0.047876  -0.047878  -0.019916  -0.026014
   50  CL 4  X    0.004370  -0.018656  -0.027607  -0.011484   0.001217
   51  CL 4  Y    0.004370  -0.027607  -0.018659  -0.011484  -0.003669
   52  CL 4  Z   -0.000867  -0.011484  -0.011484   0.004172  -0.001526
   53  CL 4  X   -0.003622  -0.032883  -0.066591  -0.027700   0.005746
   54  CL 4  Y   -0.003622  -0.066591  -0.032891  -0.027701  -0.012304
   55  CL 4  Z   -0.005795  -0.027700  -0.027701   0.022181  -0.005118
   56  CL 5  S    0.004603  -0.031205   0.031205  -0.012985  -0.016256
   57  CL 5  S    0.001477  -0.047875   0.047875  -0.019922  -0.026014
   58  CL 5  X    0.004371  -0.018656   0.027605  -0.011487   0.001217
   59  CL 5  Y   -0.004371   0.027605  -0.018656   0.011487   0.003669
   60  CL 5  Z   -0.000866  -0.011487   0.011487   0.004169  -0.001527
   61  CL 5  X   -0.003622  -0.032884   0.066587  -0.027708   0.005746
   62  CL 5  Y    0.003622   0.066587  -0.032884   0.027708   0.012304
   63  CL 5  Z   -0.005796  -0.027708   0.027708   0.022173  -0.005120
   64  CL 6  S    0.004602   0.031207   0.031206  -0.012981   0.016257
   65  CL 6  S    0.001476   0.047878   0.047876  -0.019916   0.026016
   66  CL 6  X   -0.004370  -0.018659  -0.027607   0.011484   0.001217
   67  CL 6  Y   -0.004370  -0.027607  -0.018656   0.011484  -0.003669
   68  CL 6  Z   -0.000867   0.011484   0.011484   0.004172   0.001526
   69  CL 6  X    0.003622  -0.032891  -0.066591   0.027701   0.005745
   70  CL 6  Y    0.003622  -0.066591  -0.032883   0.027700  -0.012304
   71  CL 6  Z   -0.005795   0.027701   0.027700   0.022181   0.005118

                     11         12         13         14         15

   11  MO 1  Y    0.061750
   12  MO 1  Z    0.000000   0.061750
   13  MO 1 XX    0.000000   0.000000   1.315551
   14  MO 1 YY    0.000000   0.000000  -0.228170   1.315551
   15  MO 1 ZZ    0.000000   0.000000  -0.228170  -0.228170   1.315551
   16  MO 1 XY    0.000000   0.000000   0.000000   0.000000  -0.000000
   17  MO 1 XZ    0.000000   0.000000   0.000000   0.000000   0.000000
   18  MO 1 YZ    0.000000   0.000000   0.000000   0.000000   0.000000
   19  MO 1 XX    0.000000   0.000000   0.094187  -0.087711  -0.087711
   20  MO 1 YY    0.000000   0.000000  -0.087711   0.094187  -0.087711
   21  MO 1 ZZ    0.000000   0.000000  -0.087711  -0.087711   0.094187
   22  MO 1 XY    0.000000   0.000000   0.000000   0.000000   0.000000
   23  MO 1 XZ    0.000000   0.000000   0.000000   0.000000   0.000000
   24  MO 1 YZ    0.000000   0.000000   0.000000   0.000000   0.000000
   25  O  2  S    0.000000   0.002506  -0.002821  -0.002821  -0.008380
   26  O  2  S    0.000001   0.014785  -0.030158  -0.030158   0.002439
   27  O  2  X    0.000000   0.000000  -0.000003  -0.000003   0.000008
   28  O  2  Y    0.003501  -0.000000   0.000003   0.000003  -0.000008
   29  O  2  Z   -0.000000   0.001012   0.036384   0.036384  -0.096637
   30  O  2  S    0.000002   0.030937  -0.035941  -0.035941   0.094089
   31  O  2  X    0.000000   0.000001  -0.000010   0.000001   0.000031
   32  O  2  Y    0.018646  -0.000001  -0.000001   0.000010  -0.000031
   33  O  2  Z   -0.000001   0.006250  -0.010133  -0.010133  -0.276362
   34  O  2 XX    0.000001   0.018126  -0.021616  -0.028724  -0.025036
   35  O  2 YY    0.000001   0.018126  -0.028724  -0.021616  -0.025036
   36  O  2 ZZ    0.000001   0.017011  -0.081544  -0.081544   0.259567
   37  O  2 XY    0.000000  -0.000000   0.000000   0.000000  -0.000000
   38  O  2 XZ   -0.000000   0.000000   0.000020   0.000006  -0.000047
   39  O  2 YZ   -0.001418  -0.000000  -0.000006  -0.000020   0.000047
   40  CL 3  S   -0.016257  -0.006760  -0.016374  -0.016374  -0.008647
   41  CL 3  S   -0.026016  -0.010818  -0.009800  -0.009800  -0.015761
   42  CL 3  X    0.003669   0.001526   0.007841   0.014963   0.007103
   43  CL 3  Y    0.001217  -0.001526  -0.014963  -0.007841  -0.007103
   44  CL 3  Z   -0.001526   0.004252  -0.006222  -0.006222   0.000008
   45  CL 3  X    0.012305   0.005117  -0.003328  -0.011399   0.011965
   46  CL 3  Y    0.005745  -0.005117   0.011399   0.003328  -0.011965
   47  CL 3  Z   -0.005117   0.015922   0.004740   0.004740  -0.008332
   48  CL 4  S   -0.016257  -0.006762  -0.016373  -0.016374  -0.008647
   49  CL 4  S   -0.026016  -0.010822  -0.009801  -0.009800  -0.015760
   50  CL 4  X   -0.003669  -0.001526  -0.007840  -0.014962  -0.007103
   51  CL 4  Y    0.001217  -0.001526  -0.014961  -0.007841  -0.007104
   52  CL 4  Z   -0.001526   0.004251  -0.006223  -0.006224   0.000007
   53  CL 4  X   -0.012304  -0.005118   0.003324   0.011397  -0.011961
   54  CL 4  Y    0.005745  -0.005118   0.011395   0.003328  -0.011962
   55  CL 4  Z   -0.005118   0.015920   0.004740   0.004741  -0.008333
   56  CL 5  S    0.016256  -0.006765  -0.016373  -0.016373  -0.008648
   57  CL 5  S    0.026014  -0.010825  -0.009801  -0.009801  -0.015760
   58  CL 5  X    0.003669  -0.001527  -0.007840  -0.014960  -0.007104
   59  CL 5  Y    0.001217   0.001527   0.014960   0.007840   0.007104
   60  CL 5  Z    0.001527   0.004251  -0.006225  -0.006225   0.000007
   61  CL 5  X    0.012304  -0.005120   0.003324   0.011393  -0.011959
   62  CL 5  Y    0.005746   0.005120  -0.011393  -0.003324   0.011959
   63  CL 5  Z    0.005120   0.015919   0.004741   0.004741  -0.008334
   64  CL 6  S    0.016256  -0.006762  -0.016374  -0.016373  -0.008647
   65  CL 6  S    0.026014  -0.010822  -0.009800  -0.009801  -0.015760
   66  CL 6  X   -0.003669   0.001526   0.007841   0.014961   0.007104
   67  CL 6  Y    0.001217   0.001526   0.014962   0.007840   0.007103
   68  CL 6  Z    0.001526   0.004251  -0.006224  -0.006223   0.000007
   69  CL 6  X   -0.012304   0.005118  -0.003328  -0.011395   0.011962
   70  CL 6  Y    0.005746   0.005118  -0.011397  -0.003324   0.011961
   71  CL 6  Z    0.005118   0.015920   0.004741   0.004740  -0.008333

                     16         17         18         19         20

   16  MO 1 XY    2.315581
   17  MO 1 XZ    0.000000   2.315581
   18  MO 1 YZ    0.000000  -0.000000   2.315581
   19  MO 1 XX    0.000000   0.000000   0.000000   0.255233
   20  MO 1 YY    0.000000   0.000000   0.000000  -0.019633   0.255233
   21  MO 1 ZZ    0.000000   0.000000   0.000000  -0.019633  -0.019633
   22  MO 1 XY    0.272848   0.000000   0.000000   0.000000   0.000000
   23  MO 1 XZ    0.000000   0.272848   0.000000   0.000000   0.000000
   24  MO 1 YZ    0.000000   0.000000   0.272848   0.000000   0.000000
   25  O  2  S    0.000000   0.000001  -0.000001  -0.007430  -0.007430
   26  O  2  S   -0.000000  -0.000004   0.000004  -0.035139  -0.035139
   27  O  2  X    0.000001   0.009844   0.000000  -0.000008  -0.000001
   28  O  2  Y   -0.000001   0.000000   0.009844   0.000001   0.000008
   29  O  2  Z    0.000000   0.000017  -0.000017   0.016575   0.016575
   30  O  2  S   -0.000000  -0.000016   0.000016  -0.035811  -0.035811
   31  O  2  X    0.000010   0.135740   0.000000  -0.000020  -0.000001
   32  O  2  Y   -0.000010   0.000000   0.135740   0.000001   0.000020
   33  O  2  Z    0.000000   0.000042  -0.000042   0.013928   0.013928
   34  O  2 XX    0.000000   0.000013   0.000000  -0.009291  -0.038156
   35  O  2 YY    0.000000  -0.000000  -0.000013  -0.038156  -0.009291
   36  O  2 ZZ   -0.000000  -0.000054   0.000054  -0.046025  -0.046025
   37  O  2 XY    0.010662  -0.000011   0.000011   0.000000   0.000000
   38  O  2 XZ   -0.000011  -0.152201  -0.000000   0.000011   0.000001
   39  O  2 YZ    0.000011  -0.000000  -0.152201  -0.000001  -0.000011
   40  CL 3  S    0.016183   0.006730  -0.006730   0.024578   0.024578
   41  CL 3  S   -0.012484  -0.005191   0.005191   0.033141   0.033141
   42  CL 3  X   -0.010293  -0.004280   0.006845  -0.012441  -0.037892
   43  CL 3  Y    0.010293   0.006845  -0.004280   0.037892   0.012441
   44  CL 3  Z    0.006845  -0.003321   0.003321   0.015757   0.015757
   45  CL 3  X    0.041938   0.017439  -0.020346  -0.002409  -0.079888
   46  CL 3  Y   -0.041938  -0.020346   0.017439   0.079888   0.002409
   47  CL 3  Z   -0.020346  -0.001471   0.001471   0.033220   0.033220
   48  CL 4  S   -0.016182  -0.006731  -0.006732   0.024572   0.024577
   49  CL 4  S    0.012483   0.005192   0.005193   0.033134   0.033140
   50  CL 4  X   -0.010291  -0.004281  -0.006846   0.012436   0.037889
   51  CL 4  Y   -0.010292  -0.006846  -0.004282   0.037885   0.012442
   52  CL 4  Z   -0.006846   0.003319   0.003319   0.015759   0.015761
   53  CL 4  X    0.041931   0.017442   0.020350   0.002400   0.079883
   54  CL 4  Y    0.041935   0.020350   0.017444   0.079878   0.002410
   55  CL 4  Z    0.020350   0.001476   0.001476   0.033226   0.033230
   56  CL 5  S    0.016182  -0.006734   0.006734   0.024571   0.024571
   57  CL 5  S   -0.012481   0.005194  -0.005194   0.033133   0.033133
   58  CL 5  X    0.010291  -0.004282   0.006848   0.012436   0.037882
   59  CL 5  Y   -0.010291   0.006848  -0.004282  -0.037882  -0.012436
   60  CL 5  Z    0.006848   0.003317  -0.003317   0.015764   0.015764
   61  CL 5  X   -0.041928   0.017447  -0.020355   0.002401   0.079872
   62  CL 5  Y    0.041928  -0.020355   0.017447  -0.079872  -0.002401
   63  CL 5  Z   -0.020355   0.001482  -0.001482   0.033237   0.033237
   64  CL 6  S   -0.016182   0.006732   0.006731   0.024577   0.024572
   65  CL 6  S    0.012483  -0.005193  -0.005192   0.033140   0.033134
   66  CL 6  X    0.010292  -0.004282  -0.006846  -0.012442  -0.037885
   67  CL 6  Y    0.010291  -0.006846  -0.004281  -0.037889  -0.012436
   68  CL 6  Z   -0.006846  -0.003319  -0.003319   0.015761   0.015759
   69  CL 6  X   -0.041935   0.017444   0.020350  -0.002410  -0.079878
   70  CL 6  Y   -0.041931   0.020350   0.017442  -0.079883  -0.002400
   71  CL 6  Z    0.020350  -0.001476  -0.001476   0.033230   0.033226

                     21         22         23         24         25

   21  MO 1 ZZ    0.255233
   22  MO 1 XY    0.000000   0.412300
   23  MO 1 XZ    0.000000   0.000000   0.412300
   24  MO 1 YZ    0.000000   0.000000   0.000000   0.412300
   25  O  2  S    0.033507  -0.000000  -0.000005   0.000005  29.540140
   26  O  2  S    0.157621  -0.000000  -0.000024   0.000024  -2.185403
   27  O  2  X    0.000009   0.000006   0.081667   0.000000   0.000000
   28  O  2  Y   -0.000009  -0.000006   0.000000   0.081667  -0.000000
   29  O  2  Z   -0.033939   0.000000   0.000012  -0.000012   0.000000
   30  O  2  S    0.188763  -0.000000  -0.000027   0.000027   0.131282
   31  O  2  X    0.000021   0.000017   0.234437   0.000000   0.000000
   32  O  2  Y   -0.000021  -0.000017   0.000000   0.234437  -0.000000
   33  O  2  Z   -0.026714   0.000000   0.000021  -0.000021  -0.000000
   34  O  2 XX    0.154749  -0.000000  -0.000013   0.000024  -0.465828
   35  O  2 YY    0.154749  -0.000000  -0.000024   0.000013  -0.465828
   36  O  2 ZZ    0.120452  -0.000000  -0.000027   0.000027  -0.465828
   37  O  2 XY   -0.000000   0.043299  -0.000009   0.000009  -0.000000
   38  O  2 XZ   -0.000003  -0.000009  -0.084315  -0.000000  -0.000000
   39  O  2 YZ    0.000003   0.000009  -0.000000  -0.084315   0.000000
   40  CL 3  S   -0.010968  -0.074438  -0.030954   0.030954  -0.000000
   41  CL 3  S   -0.010603  -0.091606  -0.038093   0.038093  -0.000251
   42  CL 3  X    0.001522   0.060497   0.025157  -0.034322   0.000000
   43  CL 3  Y   -0.001522  -0.060497  -0.034322   0.025157  -0.000000
   44  CL 3  Z   -0.011216  -0.034322   0.007768  -0.007768  -0.000000
   45  CL 3  X   -0.006410   0.086777   0.036085  -0.063987   0.000367
   46  CL 3  Y    0.006410  -0.086777  -0.063987   0.036085  -0.000367
   47  CL 3  Z   -0.029553  -0.063987   0.040491  -0.040491  -0.000515
   48  CL 4  S   -0.010963   0.074432   0.030961   0.030963  -0.000000
   49  CL 4  S   -0.010597   0.091599   0.038102   0.038104  -0.000251
   50  CL 4  X   -0.001516   0.060487   0.025161   0.034330  -0.000000
   51  CL 4  Y   -0.001516   0.060493   0.034330   0.025165  -0.000000
   52  CL 4  Z   -0.011217   0.034330  -0.007758  -0.007759  -0.000000
   53  CL 4  X    0.006419   0.086760   0.036089   0.064003  -0.000367
   54  CL 4  Y    0.006419   0.086773   0.064003   0.036096  -0.000367
   55  CL 4  Z   -0.029558   0.064003  -0.040471  -0.040473  -0.000515
   56  CL 5  S   -0.010958  -0.074425   0.030970  -0.030970  -0.000000
   57  CL 5  S   -0.010591  -0.091592   0.038114  -0.038114  -0.000251
   58  CL 5  X   -0.001511  -0.060483   0.025168  -0.034339  -0.000000
   59  CL 5  Y    0.001511   0.060483  -0.034339   0.025168   0.000000
   60  CL 5  Z   -0.011218  -0.034339  -0.007748   0.007748  -0.000000
   61  CL 5  X    0.006429  -0.086756   0.036101  -0.064019  -0.000367
   62  CL 5  Y   -0.006429   0.086756  -0.064019   0.036101   0.000367
   63  CL 5  Z   -0.029562  -0.064019  -0.040452   0.040452  -0.000515
   64  CL 6  S   -0.010963   0.074432  -0.030963  -0.030961  -0.000000
   65  CL 6  S   -0.010597   0.091599  -0.038104  -0.038102  -0.000251
   66  CL 6  X    0.001516  -0.060493   0.025165   0.034330   0.000000
   67  CL 6  Y    0.001516  -0.060487   0.034330   0.025161   0.000000
   68  CL 6  Z   -0.011217   0.034330   0.007759   0.007758  -0.000000
   69  CL 6  X   -0.006419  -0.086773   0.036096   0.064003   0.000367
   70  CL 6  Y   -0.006419  -0.086760   0.064003   0.036089   0.000367
   71  CL 6  Z   -0.029558   0.064003   0.040473   0.040471  -0.000515

                     26         27         28         29         30

   26  O  2  S    1.711211
   27  O  2  X    0.000000   4.251877
   28  O  2  Y    0.000000   0.000000   4.251877
   29  O  2  Z   -0.000000   0.000000   0.000000   4.251877
   30  O  2  S    0.480048  -0.000000   0.000000   0.000000   0.405009
   31  O  2  X    0.000000   0.547243  -0.000000   0.000000   0.000000
   32  O  2  Y   -0.000000  -0.000000   0.547243  -0.000000   0.000000
   33  O  2  Z   -0.000000   0.000000  -0.000000   0.547243   0.000000
   34  O  2 XX    0.249764   0.000000  -0.000000   0.000000   0.328083
   35  O  2 YY    0.249764   0.000000   0.000000   0.000000   0.328083
   36  O  2 ZZ    0.249764   0.000000  -0.000000  -0.000000   0.328083
   37  O  2 XY   -0.000000  -0.000000   0.000000  -0.000000  -0.000000
   38  O  2 XZ    0.000000   0.000000  -0.000000   0.000000   0.000000
   39  O  2 YZ   -0.000000  -0.000000   0.000000  -0.000000  -0.000000
   40  CL 3  S   -0.000015  -0.000019   0.000019   0.000026  -0.001788
   41  CL 3  S   -0.002205  -0.001127   0.001127   0.001582  -0.007750
   42  CL 3  X    0.000003   0.000005  -0.000005  -0.000007   0.001071
   43  CL 3  Y   -0.000003  -0.000005   0.000005   0.000007  -0.001071
   44  CL 3  Z   -0.000005  -0.000007   0.000007   0.000010  -0.001502
   45  CL 3  X    0.003048   0.000983  -0.001669  -0.002342   0.007687
   46  CL 3  Y   -0.003048  -0.001669   0.000983   0.002342  -0.007687
   47  CL 3  Z   -0.004277  -0.002342   0.002342   0.002600  -0.010785
   48  CL 4  S   -0.000015   0.000019   0.000019   0.000026  -0.001788
   49  CL 4  S   -0.002205   0.001127   0.001127   0.001582  -0.007750
   50  CL 4  X   -0.000003   0.000005   0.000005   0.000007  -0.001071
   51  CL 4  Y   -0.000003   0.000005   0.000005   0.000007  -0.001071
   52  CL 4  Z   -0.000005   0.000007   0.000007   0.000010  -0.001502
   53  CL 4  X   -0.003048   0.000983   0.001669   0.002342  -0.007685
   54  CL 4  Y   -0.003048   0.001669   0.000983   0.002342  -0.007687
   55  CL 4  Z   -0.004277   0.002342   0.002342   0.002601  -0.010786
   56  CL 5  S   -0.000015   0.000019  -0.000019   0.000026  -0.001788
   57  CL 5  S   -0.002205   0.001127  -0.001127   0.001582  -0.007750
   58  CL 5  X   -0.000003   0.000005  -0.000005   0.000007  -0.001070
   59  CL 5  Y    0.000003  -0.000005   0.000005  -0.000007   0.001070
   60  CL 5  Z   -0.000005   0.000007  -0.000007   0.000010  -0.001503
   61  CL 5  X   -0.003048   0.000983  -0.001669   0.002342  -0.007685
   62  CL 5  Y    0.003048  -0.001669   0.000983  -0.002342   0.007685
   63  CL 5  Z   -0.004278   0.002342  -0.002342   0.002601  -0.010787
   64  CL 6  S   -0.000015  -0.000019  -0.000019   0.000026  -0.001788
   65  CL 6  S   -0.002205  -0.001127  -0.001127   0.001582  -0.007750
   66  CL 6  X    0.000003   0.000005   0.000005  -0.000007   0.001071
   67  CL 6  Y    0.000003   0.000005   0.000005  -0.000007   0.001071
   68  CL 6  Z   -0.000005  -0.000007  -0.000007   0.000010  -0.001502
   69  CL 6  X    0.003048   0.000983   0.001669  -0.002342   0.007687
   70  CL 6  Y    0.003048   0.001669   0.000983  -0.002342   0.007685
   71  CL 6  Z   -0.004277  -0.002342  -0.002342   0.002601  -0.010786

                     31         32         33         34         35

   31  O  2  X    0.675015
   32  O  2  Y    0.000000   0.675015
   33  O  2  Z    0.000000   0.000000   0.675015
   34  O  2 XX    0.000000  -0.000000   0.000000   1.733333
   35  O  2 YY    0.000000   0.000000   0.000000  -0.133333   1.733333
   36  O  2 ZZ    0.000000  -0.000000   0.000000  -0.133333  -0.133333
   37  O  2 XY   -0.000000   0.000000  -0.000000   0.000000   0.000000
   38  O  2 XZ    0.000000  -0.000000   0.000000   0.000000   0.000000
   39  O  2 YZ   -0.000000   0.000000  -0.000000   0.000000   0.000000
   40  CL 3  S   -0.003105   0.003105   0.004357  -0.000100  -0.000100
   41  CL 3  S   -0.006205   0.006205   0.008706  -0.003386  -0.003386
   42  CL 3  X    0.001414  -0.002051  -0.002878   0.000031   0.000040
   43  CL 3  Y   -0.002051   0.001414   0.002878  -0.000040  -0.000031
   44  CL 3  Z   -0.002878   0.002878   0.003401  -0.000057  -0.000057
   45  CL 3  X    0.000657  -0.005231  -0.007339   0.003507   0.004609
   46  CL 3  Y   -0.005231   0.000657   0.007339  -0.004609  -0.003507
   47  CL 3  Z   -0.007339   0.007339   0.005723  -0.006467  -0.006467
   48  CL 4  S    0.003104   0.003105   0.004357  -0.000100  -0.000100
   49  CL 4  S    0.006204   0.006205   0.008707  -0.003385  -0.003386
   50  CL 4  X    0.001414   0.002051   0.002878  -0.000031  -0.000040
   51  CL 4  Y    0.002051   0.001414   0.002879  -0.000040  -0.000031
   52  CL 4  Z    0.002878   0.002879   0.003402  -0.000057  -0.000057
   53  CL 4  X    0.000655   0.005230   0.007338  -0.003506  -0.004608
   54  CL 4  Y    0.005230   0.000657   0.007339  -0.004609  -0.003507
   55  CL 4  Z    0.007338   0.007339   0.005725  -0.006467  -0.006468
   56  CL 5  S    0.003104  -0.003104   0.004357  -0.000100  -0.000100
   57  CL 5  S    0.006204  -0.006204   0.008708  -0.003385  -0.003385
   58  CL 5  X    0.001414  -0.002051   0.002878  -0.000031  -0.000040
   59  CL 5  Y   -0.002051   0.001414  -0.002878   0.000040   0.000031
   60  CL 5  Z    0.002878  -0.002878   0.003403  -0.000057  -0.000057
   61  CL 5  X    0.000655  -0.005229   0.007339  -0.003506  -0.004608
   62  CL 5  Y   -0.005229   0.000655  -0.007339   0.004608   0.003506
   63  CL 5  Z    0.007339  -0.007339   0.005727  -0.006467  -0.006467
   64  CL 6  S   -0.003105  -0.003104   0.004357  -0.000100  -0.000100
   65  CL 6  S   -0.006205  -0.006204   0.008707  -0.003386  -0.003385
   66  CL 6  X    0.001414   0.002051  -0.002879   0.000031   0.000040
   67  CL 6  Y    0.002051   0.001414  -0.002878   0.000040   0.000031
   68  CL 6  Z   -0.002879  -0.002878   0.003402  -0.000057  -0.000057
   69  CL 6  X    0.000657   0.005230  -0.007339   0.003507   0.004609
   70  CL 6  Y    0.005230   0.000655  -0.007338   0.004608   0.003506
   71  CL 6  Z   -0.007339  -0.007338   0.005725  -0.006468  -0.006467

                     36         37         38         39         40

   36  O  2 ZZ    1.733333
   37  O  2 XY   -0.000000   2.800000
   38  O  2 XZ    0.000000   0.000000   2.800000
   39  O  2 YZ    0.000000   0.000000  -0.000000   2.800000
   40  CL 3  S   -0.000171   0.000128   0.000179  -0.000179   0.966917
   41  CL 3  S   -0.004110   0.001296   0.001818  -0.001818   0.292582
   42  CL 3  X    0.000073  -0.000049  -0.000069   0.000081   0.000000
   43  CL 3  Y   -0.000073   0.000049   0.000081  -0.000069  -0.000000
   44  CL 3  Z   -0.000088   0.000081   0.000105  -0.000105   0.000000
   45  CL 3  X    0.005640  -0.000889  -0.001248   0.002587   0.000000
   46  CL 3  Y   -0.005640   0.000889   0.002587  -0.001248   0.000000
   47  CL 3  Z   -0.006367   0.002587   0.002675  -0.002675  -0.000000
   48  CL 4  S   -0.000171  -0.000128  -0.000179  -0.000179  -0.000320
   49  CL 4  S   -0.004110  -0.001295  -0.001818  -0.001818  -0.005117
   50  CL 4  X   -0.000072  -0.000049  -0.000069  -0.000081  -0.000320
   51  CL 4  Y   -0.000073  -0.000049  -0.000081  -0.000069  -0.000000
   52  CL 4  Z   -0.000088  -0.000081  -0.000105  -0.000105  -0.000000
   53  CL 4  X   -0.005639  -0.000888  -0.001247  -0.002586  -0.012421
   54  CL 4  Y   -0.005640  -0.000889  -0.002586  -0.001248  -0.000000
   55  CL 4  Z   -0.006368  -0.002586  -0.002675  -0.002675  -0.000001
   56  CL 5  S   -0.000171   0.000128  -0.000179   0.000179  -0.000000
   57  CL 5  S   -0.004111   0.001295  -0.001818   0.001818  -0.000083
   58  CL 5  X   -0.000073   0.000049  -0.000069   0.000081  -0.000000
   59  CL 5  Y    0.000073  -0.000049   0.000081  -0.000069   0.000000
   60  CL 5  Z   -0.000088   0.000081  -0.000105   0.000105  -0.000000
   61  CL 5  X   -0.005640   0.000888  -0.001247   0.002586  -0.000157
   62  CL 5  Y    0.005640  -0.000888   0.002586  -0.001247   0.000157
   63  CL 5  Z   -0.006369   0.002586  -0.002676   0.002676  -0.000000
   64  CL 6  S   -0.000171  -0.000128   0.000179   0.000179  -0.000320
   65  CL 6  S   -0.004110  -0.001295   0.001818   0.001818  -0.005117
   66  CL 6  X    0.000073   0.000049  -0.000069  -0.000081   0.000000
   67  CL 6  Y    0.000072   0.000049  -0.000081  -0.000069   0.000320
   68  CL 6  Z   -0.000088  -0.000081   0.000105   0.000105  -0.000000
   69  CL 6  X    0.005640   0.000889  -0.001248  -0.002586   0.000000
   70  CL 6  Y    0.005639   0.000888  -0.002586  -0.001247   0.012421
   71  CL 6  Z   -0.006368  -0.002586   0.002675   0.002675  -0.000001

                     41         42         43         44         45

   41  CL 3  S    0.244650
   42  CL 3  X    0.000000   1.598384
   43  CL 3  Y    0.000000   0.000000   1.598384
   44  CL 3  Z    0.000000   0.000000   0.000000   1.598384
   45  CL 3  X    0.000000   0.449853  -0.000000  -0.000000   0.454750
   46  CL 3  Y   -0.000000  -0.000000   0.449853   0.000000  -0.000000
   47  CL 3  Z    0.000000  -0.000000   0.000000   0.449853  -0.000000
   48  CL 4  S   -0.005117   0.000320   0.000000   0.000000   0.012421
   49  CL 4  S   -0.010285   0.005163   0.000000   0.000000   0.013456
   50  CL 4  X   -0.005163   0.000285   0.000000   0.000000   0.012280
   51  CL 4  Y   -0.000000   0.000000  -0.000012   0.000000   0.000000
   52  CL 4  Z   -0.000000   0.000000   0.000000  -0.000012   0.000001
   53  CL 4  X   -0.013456   0.012280   0.000000   0.000001   0.004111
   54  CL 4  Y   -0.000000   0.000000  -0.001671   0.000000   0.000000
   55  CL 4  Z   -0.000001   0.000001   0.000000  -0.001671   0.000001
   56  CL 5  S   -0.000083   0.000000  -0.000000   0.000000   0.000157
   57  CL 5  S   -0.000945   0.000065  -0.000065   0.000000   0.001577
   58  CL 5  X   -0.000065   0.000000  -0.000000   0.000000   0.000118
   59  CL 5  Y    0.000065  -0.000000   0.000000  -0.000000  -0.000131
   60  CL 5  Z   -0.000000   0.000000  -0.000000  -0.000000   0.000000
   61  CL 5  X   -0.001577   0.000118  -0.000131   0.000000   0.002359
   62  CL 5  Y    0.001577  -0.000131   0.000118  -0.000000  -0.002819
   63  CL 5  Z   -0.000000   0.000000  -0.000000  -0.000012   0.000000
   64  CL 6  S   -0.005117  -0.000000  -0.000320   0.000000  -0.000000
   65  CL 6  S   -0.010285  -0.000000  -0.005163   0.000000  -0.000000
   66  CL 6  X    0.000000  -0.000012   0.000000  -0.000000  -0.001671
   67  CL 6  Y    0.005163   0.000000   0.000285  -0.000000   0.000000
   68  CL 6  Z   -0.000000  -0.000000  -0.000000  -0.000012  -0.000000
   69  CL 6  X    0.000000  -0.001671   0.000000  -0.000000  -0.005284
   70  CL 6  Y    0.013456   0.000000   0.012280  -0.000001   0.000000
   71  CL 6  Z   -0.000001  -0.000000  -0.000001  -0.001671  -0.000000

                     46         47         48         49         50

   46  CL 3  Y    0.454750
   47  CL 3  Z    0.000000   0.454750
   48  CL 4  S    0.000000   0.000001   0.966917
   49  CL 4  S    0.000000   0.000001   0.292582   0.244650
   50  CL 4  X    0.000000   0.000001   0.000000   0.000000   1.598384
   51  CL 4  Y   -0.001671   0.000000   0.000000   0.000000   0.000000
   52  CL 4  Z    0.000000  -0.001671  -0.000000   0.000000   0.000000
   53  CL 4  X    0.000000   0.000001  -0.000000   0.000000   0.449853
   54  CL 4  Y   -0.005284   0.000000  -0.000000   0.000000   0.000000
   55  CL 4  Z    0.000000  -0.005284  -0.000000  -0.000000   0.000000
   56  CL 5  S   -0.000157   0.000000  -0.000320  -0.005117   0.000000
   57  CL 5  S   -0.001577   0.000000  -0.005117  -0.010285   0.000000
   58  CL 5  X   -0.000131   0.000000  -0.000000  -0.000000  -0.000012
   59  CL 5  Y    0.000118  -0.000000   0.000320   0.005163  -0.000000
   60  CL 5  Z   -0.000000  -0.000012  -0.000000  -0.000000   0.000000
   61  CL 5  X   -0.002819   0.000000  -0.000000  -0.000000  -0.001671
   62  CL 5  Y    0.002359  -0.000000   0.012421   0.013456  -0.000000
   63  CL 5  Z   -0.000000  -0.000461  -0.000001  -0.000001   0.000000
   64  CL 6  S   -0.012421   0.000001  -0.000000  -0.000083  -0.000000
   65  CL 6  S   -0.013456   0.000001  -0.000083  -0.000945  -0.000065
   66  CL 6  X    0.000000  -0.000000   0.000000   0.000065   0.000000
   67  CL 6  Y    0.012280  -0.000001   0.000000   0.000065   0.000000
   68  CL 6  Z   -0.000001  -0.001671  -0.000000   0.000000   0.000000
   69  CL 6  X    0.000000  -0.000000   0.000157   0.001577   0.000118
   70  CL 6  Y    0.004111  -0.000001   0.000157   0.001577   0.000131
   71  CL 6  Z   -0.000001  -0.005284  -0.000000  -0.000000  -0.000000

                     51         52         53         54         55

   51  CL 4  Y    1.598384
   52  CL 4  Z    0.000000   1.598384
   53  CL 4  X    0.000000   0.000000   0.454750
   54  CL 4  Y    0.449853   0.000000   0.000000   0.454750
   55  CL 4  Z    0.000000   0.449853   0.000000   0.000000   0.454750
   56  CL 5  S   -0.000320   0.000000   0.000000  -0.012421   0.000001
   57  CL 5  S   -0.005163   0.000000   0.000000  -0.013456   0.000001
   58  CL 5  X   -0.000000   0.000000  -0.001671  -0.000000   0.000000
   59  CL 5  Y    0.000285  -0.000000  -0.000000   0.012280  -0.000001
   60  CL 5  Z   -0.000000  -0.000012   0.000000  -0.000001  -0.001671
   61  CL 5  X   -0.000000   0.000000  -0.005284  -0.000000   0.000000
   62  CL 5  Y    0.012280  -0.000001  -0.000000   0.004113  -0.000001
   63  CL 5  Z   -0.000001  -0.001671   0.000000  -0.000001  -0.005284
   64  CL 6  S   -0.000000  -0.000000  -0.000157  -0.000157  -0.000000
   65  CL 6  S   -0.000065   0.000000  -0.001577  -0.001577  -0.000000
   66  CL 6  X    0.000000   0.000000   0.000118   0.000131   0.000000
   67  CL 6  Y    0.000000   0.000000   0.000131   0.000118   0.000000
   68  CL 6  Z    0.000000  -0.000000  -0.000000  -0.000000  -0.000012
   69  CL 6  X    0.000131   0.000000   0.002359   0.002819   0.000000
   70  CL 6  Y    0.000118   0.000000   0.002819   0.002359   0.000000
   71  CL 6  Z   -0.000000  -0.000012   0.000000   0.000000  -0.000461

                     56         57         58         59         60

   56  CL 5  S    0.966917
   57  CL 5  S    0.292582   0.244650
   58  CL 5  X    0.000000   0.000000   1.598384
   59  CL 5  Y   -0.000000  -0.000000  -0.000000   1.598384
   60  CL 5  Z    0.000000  -0.000000   0.000000  -0.000000   1.598384
   61  CL 5  X   -0.000000   0.000000   0.449853  -0.000000   0.000000
   62  CL 5  Y    0.000000  -0.000000  -0.000000   0.449853  -0.000000
   63  CL 5  Z    0.000000   0.000000   0.000000  -0.000000   0.449853
   64  CL 6  S   -0.000320  -0.005117  -0.000320   0.000000  -0.000000
   65  CL 6  S   -0.005117  -0.010285  -0.005163   0.000000  -0.000000
   66  CL 6  X    0.000320   0.005163   0.000285  -0.000000   0.000000
   67  CL 6  Y   -0.000000  -0.000000  -0.000000  -0.000012  -0.000000
   68  CL 6  Z    0.000000   0.000000   0.000000  -0.000000  -0.000012
   69  CL 6  X    0.012421   0.013456   0.012280  -0.000000   0.000001
   70  CL 6  Y   -0.000000  -0.000000  -0.000000  -0.001671  -0.000000
   71  CL 6  Z    0.000001   0.000001   0.000001  -0.000000  -0.001671

                     61         62         63         64         65

   61  CL 5  X    0.454750
   62  CL 5  Y   -0.000000   0.454750
   63  CL 5  Z    0.000000  -0.000000   0.454750
   64  CL 6  S   -0.012421   0.000000  -0.000001   0.966917
   65  CL 6  S   -0.013456   0.000000  -0.000001   0.292582   0.244650
   66  CL 6  X    0.012280  -0.000000   0.000001   0.000000  -0.000000
   67  CL 6  Y   -0.000000  -0.001671  -0.000000  -0.000000  -0.000000
   68  CL 6  Z    0.000001  -0.000000  -0.001671  -0.000000   0.000000
   69  CL 6  X    0.004113  -0.000000   0.000001   0.000000  -0.000000
   70  CL 6  Y   -0.000000  -0.005284  -0.000000   0.000000  -0.000000
   71  CL 6  Z    0.000001  -0.000000  -0.005284  -0.000000  -0.000000

                     66         67         68         69         70

   66  CL 6  X    1.598384
   67  CL 6  Y    0.000000   1.598384
   68  CL 6  Z    0.000000   0.000000   1.598384
   69  CL 6  X    0.449853   0.000000  -0.000000   0.454750
   70  CL 6  Y    0.000000   0.449853  -0.000000   0.000000   0.454750
   71  CL 6  Z   -0.000000  -0.000000   0.449853   0.000000   0.000000

                     71

   71  CL 6  Z    0.454750
 TIME TO DO ORDINARY INTEGRALS=      0.00
 ECP INTEGRAL MODIFICATIONS

             1           2           3           4           5

    1    1.8953248
    2   -2.4034101   3.3716576
    3    0.4948938  -0.7413083   0.2780437
    4    0.0000000   0.0000000   0.0000000   1.2615559
    5   -0.0000000  -0.0000000  -0.0000000   0.0000000   1.2615559
    6   -0.0000004  -0.0000495  -0.0002184   0.0000000  -0.0000000
    7    0.0000000   0.0000013   0.0000052   0.0154961   0.0000000
    8   -0.0000000  -0.0000013  -0.0000052   0.0000000   0.0154961
    9   -0.0000415  -0.0093095  -0.0515275   0.0000000  -0.0000000
   10    0.0000000   0.0000008   0.0000032   0.0278443   0.0000000
   11   -0.0000000  -0.0000008  -0.0000032   0.0000000   0.0278443
   12   -0.0000274  -0.0068076  -0.0391749   0.0000000  -0.0000000
   13    0.7621580  -0.9538595   0.1974949   0.0000000  -0.0000000
   14    0.7621580  -0.9538595   0.1974949   0.0000000  -0.0000000
   15    0.7621553  -0.9542355   0.1957772  -0.0000000   0.0000000
   16    0.0000000   0.0000000   0.0000000  -0.0000000   0.0000000
   17    0.0000000   0.0000000   0.0000001  -0.0000141  -0.0000000
   18   -0.0000000  -0.0000000  -0.0000001  -0.0000000  -0.0000141
   19    0.0324059  -0.0194578   0.1120853   0.0000001  -0.0000001
   20    0.0324059  -0.0194578   0.1120853   0.0000001  -0.0000001
   21    0.0323349  -0.0350682   0.0265861  -0.0000000   0.0000000
   22    0.0000000   0.0000000   0.0000001  -0.0000001   0.0000001
   23    0.0000000   0.0000014   0.0000086  -0.0004335  -0.0000000
   24   -0.0000000  -0.0000014  -0.0000086  -0.0000000  -0.0004335
   25    0.0000000  -0.0000000   0.0000000  -0.0000000   0.0000000
   26    0.0009715  -0.0011815   0.0002489  -0.0000001   0.0000001
   27    0.0000002  -0.0000003   0.0000001   0.0002380   0.0000000
   28   -0.0000002   0.0000003  -0.0000001   0.0000000   0.0002380
   29   -0.0033267   0.0041266  -0.0008766   0.0000003  -0.0000003
   30    0.1381348  -0.2077500   0.0497753  -0.0000041   0.0000041
   31    0.0000304  -0.0000463   0.0000112   0.0354274   0.0000000
   32   -0.0000304   0.0000463  -0.0000112   0.0000000   0.0354274
   33   -0.4313013   0.6572712  -0.1587661   0.0000130  -0.0000130
   34    0.0005964  -0.0006732   0.0001344   0.0000005   0.0000000
   35    0.0005964  -0.0006732   0.0001344  -0.0000000  -0.0000005
   36    0.0491232  -0.0664265   0.0148495  -0.0000037   0.0000037
   37   -0.0000000   0.0000000  -0.0000000  -0.0000004   0.0000004
   38   -0.0000059   0.0000080  -0.0000018  -0.0063671  -0.0000000
   39    0.0000059  -0.0000080   0.0000018  -0.0000000  -0.0063671
   40    0.0002770   0.0083543   0.0420601   0.0005658  -0.0005658
   41    0.0368585  -0.0271827   0.1749700   0.0105550  -0.0105550
   42   -0.0001108  -0.0052538  -0.0078639  -0.0003685   0.0004241
   43    0.0001108   0.0052538   0.0078639   0.0004241  -0.0003685
   44    0.0000461   0.0021847   0.0032701   0.0001764  -0.0001764
   45   -0.0707068   0.1045300  -0.0288170  -0.0153113   0.0210237
   46    0.0707068  -0.1045300   0.0288170   0.0210237  -0.0153113
   47    0.0294019  -0.0435170   0.0117267   0.0087404  -0.0087404
   48    0.0002770   0.0083540   0.0420597  -0.0005657  -0.0005658
   49    0.0368569  -0.0271815   0.1749675  -0.0105539  -0.0105545
   50    0.0001108   0.0052533   0.0078634  -0.0003684  -0.0004240
   51    0.0001108   0.0052536   0.0078639  -0.0004240  -0.0003685
   52    0.0000461   0.0021853   0.0032711  -0.0001764  -0.0001764
   53    0.0706998  -0.1045196   0.0288143  -0.0153085  -0.0210217
   54    0.0707038  -0.1045255   0.0288158  -0.0210217  -0.0153108
   55    0.0294101  -0.0435291   0.0117301  -0.0087424  -0.0087429
   56    0.0002769   0.0083537   0.0420591  -0.0005657   0.0005657
   57    0.0368552  -0.0271803   0.1749648  -0.0105535   0.0105535
   58    0.0001108   0.0052531   0.0078634  -0.0003684   0.0004240
   59   -0.0001108  -0.0052531  -0.0078634   0.0004240  -0.0003684
   60    0.0000461   0.0021859   0.0032721  -0.0001764   0.0001764
   61    0.0706966  -0.1045149   0.0288131  -0.0153079   0.0210197
   62   -0.0706966   0.1045149  -0.0288131   0.0210197  -0.0153079
   63    0.0294181  -0.0435410   0.0117334  -0.0087449   0.0087449
   64    0.0002770   0.0083540   0.0420597   0.0005658   0.0005657
   65    0.0368569  -0.0271815   0.1749675   0.0105545   0.0105539
   66   -0.0001108  -0.0052536  -0.0078639  -0.0003685  -0.0004240
   67   -0.0001108  -0.0052533  -0.0078634  -0.0004240  -0.0003684
   68    0.0000461   0.0021853   0.0032711   0.0001764   0.0001764
   69   -0.0707038   0.1045255  -0.0288158  -0.0153108  -0.0210217
   70   -0.0706998   0.1045196  -0.0288143  -0.0210217  -0.0153085
   71    0.0294101  -0.0435291   0.0117301   0.0087429   0.0087424

             6           7           8           9          10

    6    1.2615514
    7    0.0000000   0.1636417
    8   -0.0000000   0.0000001   0.1636417
    9    0.0149165   0.0000079  -0.0000079   0.0294888
   10    0.0000000   0.1240120   0.0000000   0.0000063   0.0958585
   11   -0.0000000   0.0000000   0.1240120  -0.0000063  -0.0000000
   12    0.0274479   0.0000063  -0.0000063   0.0224409   0.0000052
   13   -0.0000083   0.0000004  -0.0000002  -0.0011602   0.0000002
   14   -0.0000083   0.0000002  -0.0000004  -0.0011602   0.0000001
   15   -0.0000016  -0.0000001   0.0000001  -0.0002272  -0.0000001
   16   -0.0000000  -0.0000004   0.0000004  -0.0000000  -0.0000002
   17   -0.0000000  -0.0020006  -0.0000000  -0.0000002  -0.0013905
   18    0.0000000  -0.0000000  -0.0020006   0.0000002  -0.0000000
   19   -0.0002527   0.0000139  -0.0000062  -0.0567544   0.0000097
   20   -0.0002527   0.0000062  -0.0000139  -0.0567544   0.0000039
   21   -0.0000504  -0.0000064   0.0000064  -0.0109982  -0.0000049
   22   -0.0000000  -0.0000107   0.0000107  -0.0000001  -0.0000068
   23   -0.0000000  -0.0980289  -0.0000001  -0.0000110  -0.0738490
   24    0.0000000  -0.0000001  -0.0980289   0.0000110  -0.0000001
   25    0.0000000  -0.0000000   0.0000000   0.0000000  -0.0000000
   26    0.0011898  -0.0000000   0.0000000   0.0000259  -0.0000000
   27    0.0000003   0.0000052   0.0000000   0.0000000   0.0000058
   28   -0.0000003   0.0000000   0.0000052  -0.0000000   0.0000000
   29   -0.0038795   0.0000000  -0.0000000  -0.0000780   0.0000000
   30    0.0587791  -0.0000001   0.0000001   0.0007553  -0.0000001
   31    0.0000130   0.0005640   0.0000000   0.0000002   0.0008620
   32   -0.0000130   0.0000000   0.0005640  -0.0000002   0.0000000
   33   -0.1497810   0.0000002  -0.0000002  -0.0018241   0.0000003
   34    0.0005705   0.0000000   0.0000000   0.0000147   0.0000000
   35    0.0005705  -0.0000000  -0.0000000   0.0000147  -0.0000000
   36    0.0451060  -0.0000001   0.0000001   0.0007118  -0.0000001
   37   -0.0000000  -0.0000000   0.0000000  -0.0000000  -0.0000000
   38   -0.0000059  -0.0001083  -0.0000000  -0.0000001  -0.0001471
   39    0.0000059  -0.0000000  -0.0001083   0.0000001  -0.0000000
   40   -0.0002353   0.0539577  -0.0539577  -0.0224374   0.0418232
   41   -0.0043905   0.2112242  -0.2112242  -0.0880800   0.1629333
   42    0.0001764  -0.0069960   0.0186995   0.0077758   0.0043927
   43   -0.0001764   0.0186995  -0.0069960  -0.0077758   0.0046364
   44   -0.0000177   0.0077758  -0.0077758   0.0084700   0.0019280
   45    0.0087424  -0.0017900   0.0074820   0.0031156   0.0017424
   46   -0.0087424   0.0074820  -0.0017900  -0.0031156   0.0026580
   47    0.0020689   0.0027665  -0.0027665   0.0029217   0.0008516
   48   -0.0002353  -0.0539540  -0.0539570  -0.0224443  -0.0418208
   49   -0.0043917  -0.2112091  -0.2112211  -0.0881069  -0.1629241
   50   -0.0001764  -0.0069940  -0.0186983  -0.0077778   0.0043931
   51   -0.0001764  -0.0186983  -0.0069961  -0.0077783  -0.0046362
   52   -0.0000178  -0.0077778  -0.0077783   0.0084677  -0.0019285
   53   -0.0087444  -0.0017892  -0.0074816  -0.0031162   0.0017427
   54   -0.0087449  -0.0074814  -0.0017901  -0.0031165  -0.0026578
   55    0.0020665  -0.0027671  -0.0027675   0.0029209  -0.0008518
   56   -0.0002354  -0.0539531   0.0539531  -0.0224511  -0.0418208
   57   -0.0043929  -0.2112058   0.2112058  -0.0881334  -0.1629240
   58   -0.0001764  -0.0069941   0.0186971  -0.0077803   0.0043930
   59    0.0001764   0.0186971  -0.0069941   0.0077803   0.0046360
   60   -0.0000178  -0.0077803   0.0077803   0.0084654  -0.0019291
   61   -0.0087468  -0.0017893   0.0074810  -0.0031171   0.0017426
   62    0.0087468   0.0074810  -0.0017893   0.0031171   0.0026576
   63    0.0020640  -0.0027681   0.0027681   0.0029200  -0.0008521
   64   -0.0002353   0.0539570   0.0539540  -0.0224443   0.0418231
   65   -0.0043917   0.2112211   0.2112091  -0.0881069   0.1629333
   66    0.0001764  -0.0069961  -0.0186983   0.0077783   0.0043926
   67    0.0001764  -0.0186983  -0.0069940   0.0077778  -0.0046362
   68   -0.0000178   0.0077783   0.0077778   0.0084677   0.0019286
   69    0.0087449  -0.0017901  -0.0074814   0.0031165   0.0017423
   70    0.0087444  -0.0074816  -0.0017892   0.0031162  -0.0026579
   71    0.0020665   0.0027675   0.0027671   0.0029209   0.0008520

            11          12          13          14          15

   11    0.0958585
   12   -0.0000052   0.0176251
   13   -0.0000001  -0.0008052   0.4876006
   14   -0.0000002  -0.0008052   0.2191991   0.4876006
   15    0.0000001  -0.0001587   0.2191393   0.2191393   0.4875286
   16    0.0000002  -0.0000000   0.0000000   0.0000000   0.0000000
   17   -0.0000000  -0.0000001  -0.0000000   0.0000000   0.0000000
   18   -0.0013905   0.0000001  -0.0000000   0.0000000  -0.0000000
   19   -0.0000039  -0.0427357   0.0249194   0.0113244   0.0093619
   20   -0.0000097  -0.0427357   0.0113244   0.0249194   0.0093619
   21    0.0000049  -0.0082889   0.0093682   0.0093682   0.0225490
   22    0.0000068  -0.0000001   0.0000000   0.0000000   0.0000000
   23   -0.0000001  -0.0000085   0.0000000   0.0000001   0.0000001
   24   -0.0738490   0.0000085  -0.0000001  -0.0000000  -0.0000001
   25    0.0000000   0.0000000  -0.0000000  -0.0000000   0.0000000
   26    0.0000000   0.0000289   0.0001943   0.0001943   0.0008463
   27    0.0000000   0.0000000   0.0000000   0.0000001   0.0000002
   28    0.0000058  -0.0000000  -0.0000001  -0.0000000  -0.0000002
   29   -0.0000000  -0.0000925  -0.0007445  -0.0007445  -0.0026992
   30    0.0000001   0.0013045   0.0517442   0.0517442   0.0608787
   31    0.0000000   0.0000003   0.0000108   0.0000116   0.0000136
   32    0.0008620  -0.0000003  -0.0000116  -0.0000108  -0.0000136
   33   -0.0000003  -0.0032941  -0.1646116  -0.1646116  -0.1823085
   34    0.0000000   0.0000144   0.0003199   0.0000944   0.0003601
   35   -0.0000000   0.0000144   0.0000944   0.0003199   0.0003601
   36    0.0000001   0.0010290   0.0146121   0.0146121   0.0307864
   37    0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
   38   -0.0000000  -0.0000001  -0.0000014  -0.0000018  -0.0000041
   39   -0.0001471   0.0000001   0.0000018   0.0000014   0.0000041
   40   -0.0418232  -0.0173914   0.0016519   0.0016519   0.0003636
   41   -0.1629333  -0.0679335   0.0181378   0.0181378   0.0146581
   42    0.0046364   0.0019280  -0.0010793  -0.0014889  -0.0002822
   43    0.0043927  -0.0019280   0.0014889   0.0010793   0.0002822
   44   -0.0019280   0.0082274   0.0006191   0.0006191  -0.0000530
   45    0.0026580   0.0011066  -0.0282060  -0.0295768  -0.0272893
   46    0.0017424  -0.0011066   0.0295768   0.0282060   0.0272893
   47   -0.0008516   0.0028568   0.0122916   0.0122916   0.0107769
   48   -0.0418231  -0.0173970   0.0016516   0.0016517   0.0003637
   49   -0.1629333  -0.0679552   0.0181364   0.0181368   0.0146579
   50   -0.0046362  -0.0019285   0.0010790   0.0014887   0.0002823
   51    0.0043926  -0.0019286   0.0014887   0.0010792   0.0002823
   52   -0.0019286   0.0082268   0.0006192   0.0006193  -0.0000530
   53   -0.0026579  -0.0011068   0.0282030   0.0295739   0.0272869
   54    0.0017423  -0.0011069   0.0295752   0.0282048   0.0272884
   55   -0.0008520   0.0028566   0.0122949   0.0122951   0.0107800
   56    0.0418208  -0.0174025   0.0016514   0.0016514   0.0003639
   57    0.1629240  -0.0679767   0.0181354   0.0181354   0.0146576
   58    0.0046360  -0.0019291   0.0010789   0.0014885   0.0002824
   59    0.0043930   0.0019291  -0.0014885  -0.0010789  -0.0002824
   60    0.0019291   0.0082262   0.0006194   0.0006194  -0.0000529
   61    0.0026576  -0.0011071   0.0282017   0.0295722   0.0272859
   62    0.0017426   0.0011071  -0.0295722  -0.0282017  -0.0272859
   63    0.0008521   0.0028563   0.0122983   0.0122983   0.0107831
   64    0.0418208  -0.0173970   0.0016517   0.0016516   0.0003637
   65    0.1629241  -0.0679552   0.0181368   0.0181364   0.0146579
   66   -0.0046362   0.0019286  -0.0010792  -0.0014887  -0.0002823
   67    0.0043931   0.0019285  -0.0014887  -0.0010790  -0.0002823
   68    0.0019285   0.0082268   0.0006193   0.0006192  -0.0000530
   69   -0.0026578   0.0011069  -0.0282048  -0.0295752  -0.0272884
   70    0.0017427   0.0011068  -0.0295739  -0.0282030  -0.0272869
   71    0.0008518   0.0028566   0.0122951   0.0122949   0.0107800

            16          17          18          19          20

   16    0.4028154
   17   -0.0000000   0.4026383
   18    0.0000000   0.0000000   0.4026383
   19    0.0000000   0.0000000  -0.0000001   0.1187390
   20    0.0000000   0.0000001  -0.0000000   0.1149902   0.1187390
   21    0.0000000   0.0000001  -0.0000001   0.0211041   0.0211041
   22    0.0274088  -0.0000002   0.0000002   0.0000001   0.0000001
   23   -0.0000002   0.0215682   0.0000000   0.0000048   0.0000092
   24    0.0000002   0.0000000   0.0215682  -0.0000092  -0.0000048
   25   -0.0000000  -0.0000000   0.0000000  -0.0000000  -0.0000000
   26   -0.0000000  -0.0000001   0.0000001   0.0000045   0.0000045
   27    0.0000000   0.0002259   0.0000000   0.0000000   0.0000000
   28   -0.0000000   0.0000000   0.0002259  -0.0000000  -0.0000000
   29    0.0000000   0.0000003  -0.0000003  -0.0000221  -0.0000221
   30   -0.0000000  -0.0000011   0.0000011   0.0020528   0.0020528
   31    0.0000007   0.0095347   0.0000000   0.0000004   0.0000005
   32   -0.0000007   0.0000000   0.0095347  -0.0000005  -0.0000004
   33    0.0000000   0.0000028  -0.0000028  -0.0065560  -0.0065560
   34    0.0000000   0.0000004   0.0000000   0.0000170   0.0000014
   35    0.0000000  -0.0000000  -0.0000004   0.0000014   0.0000170
   36   -0.0000000  -0.0000023   0.0000023   0.0005494   0.0005494
   37    0.0003382  -0.0000003   0.0000003  -0.0000000  -0.0000000
   38   -0.0000003  -0.0043820  -0.0000000  -0.0000000  -0.0000001
   39    0.0000003  -0.0000000  -0.0043820   0.0000001   0.0000000
   40   -0.0026978  -0.0011218   0.0011218   0.0454157   0.0454157
   41   -0.0072447  -0.0030216   0.0030216   0.1781537   0.1781537
   42    0.0021724   0.0009033  -0.0010509  -0.0040906  -0.0234861
   43   -0.0021724  -0.0010509   0.0009033   0.0234861   0.0040906
   44   -0.0010509  -0.0000822   0.0000822   0.0097663   0.0097663
   45    0.0035432   0.0014738  -0.0019915  -0.0031755  -0.0099331
   46   -0.0035432  -0.0019915   0.0014738   0.0099331   0.0031755
   47   -0.0019785   0.0003629  -0.0003629   0.0038311   0.0038311
   48    0.0026975   0.0011221   0.0011221   0.0454100   0.0454149
   49    0.0072438   0.0030221   0.0030223   0.1781305   0.1781502
   50    0.0021719   0.0009035   0.0010511   0.0040880   0.0234844
   51    0.0021721   0.0010511   0.0009036   0.0234831   0.0040908
   52    0.0010511   0.0000825   0.0000825   0.0097682   0.0097693
   53    0.0035425   0.0014740   0.0019920   0.0031746   0.0099324
   54    0.0035429   0.0019920   0.0014742   0.0099319   0.0031754
   55    0.0019789  -0.0003624  -0.0003624   0.0038320   0.0038324
   56   -0.0026971   0.0011223  -0.0011223   0.0454091   0.0454091
   57   -0.0072428   0.0030229  -0.0030229   0.1781268   0.1781268
   58   -0.0021716   0.0009037  -0.0010513   0.0040882   0.0234815
   59    0.0021716  -0.0010513   0.0009037  -0.0234815  -0.0040882
   60   -0.0010513   0.0000828  -0.0000828   0.0097712   0.0097712
   61   -0.0035422   0.0014744  -0.0019924   0.0031745   0.0099312
   62    0.0035422  -0.0019924   0.0014744  -0.0099312  -0.0031745
   63   -0.0019794  -0.0003618   0.0003618   0.0038332   0.0038332
   64    0.0026975  -0.0011221  -0.0011221   0.0454149   0.0454100
   65    0.0072438  -0.0030223  -0.0030221   0.1781502   0.1781305
   66   -0.0021721   0.0009036   0.0010511  -0.0040908  -0.0234831
   67   -0.0021719   0.0010511   0.0009035  -0.0234844  -0.0040880
   68    0.0010511  -0.0000825  -0.0000825   0.0097693   0.0097682
   69   -0.0035429   0.0014742   0.0019920  -0.0031754  -0.0099319
   70   -0.0035425   0.0019920   0.0014740  -0.0099324  -0.0031746
   71    0.0019789   0.0003624   0.0003624   0.0038324   0.0038320

            21          22          23          24          25

   21    0.0054449
   22    0.0000001   0.3430369
   23    0.0000063  -0.0000159   0.0621803
   24   -0.0000063   0.0000159   0.0000001   0.0621803
   25    0.0000000  -0.0000000  -0.0000000   0.0000000   0.0000000
   26    0.0000540  -0.0000000  -0.0000000   0.0000000   0.0000000
   27    0.0000000   0.0000000   0.0000171   0.0000000   0.0000000
   28   -0.0000000  -0.0000000   0.0000000   0.0000171  -0.0000000
   29   -0.0001632   0.0000000   0.0000000  -0.0000000  -0.0000000
   30    0.0025768   0.0000000  -0.0000001   0.0000001   0.0000000
   31    0.0000006   0.0000000   0.0005145  -0.0000000   0.0000000
   32   -0.0000006  -0.0000000  -0.0000000   0.0005145  -0.0000000
   33   -0.0074877  -0.0000000   0.0000002  -0.0000002  -0.0000000
   34    0.0000238   0.0000000   0.0000000   0.0000000   0.0000000
   35    0.0000238   0.0000000  -0.0000000  -0.0000000   0.0000000
   36    0.0015773  -0.0000000  -0.0000001   0.0000001   0.0000000
   37   -0.0000000   0.0000234  -0.0000000   0.0000000  -0.0000000
   38   -0.0000002  -0.0000000  -0.0002909  -0.0000000  -0.0000000
   39    0.0000002   0.0000000  -0.0000000  -0.0002909   0.0000000
   40    0.0091361  -0.0759754  -0.0315930   0.0315930  -0.0000000
   41    0.0325225  -0.3032636  -0.1264719   0.1264719  -0.0000000
   42   -0.0043067   0.0233678   0.0097171  -0.0167018   0.0000000
   43    0.0043067  -0.0233678  -0.0167018   0.0097171  -0.0000000
   44   -0.0062744  -0.0167018   0.0098518  -0.0098518  -0.0000000
   45   -0.0026796   0.0069527   0.0028949  -0.0063080   0.0000000
   46    0.0026796  -0.0069527  -0.0063080   0.0028949  -0.0000000
   47   -0.0017262  -0.0057883   0.0033837  -0.0033837  -0.0000000
   48    0.0091408   0.0759699   0.0316009   0.0316026  -0.0000000
   49    0.0325413   0.3032407   0.1265030   0.1265099  -0.0000000
   50    0.0043090   0.0233633   0.0097183   0.0167060  -0.0000000
   51    0.0043092   0.0233665   0.0167060   0.0097202  -0.0000000
   52   -0.0062752   0.0167060  -0.0098465  -0.0098470  -0.0000000
   53    0.0026803   0.0069511   0.0028954   0.0063093  -0.0000000
   54    0.0026805   0.0069524   0.0063095   0.0028959  -0.0000000
   55   -0.0017263   0.0057896  -0.0033820  -0.0033820  -0.0000000
   56    0.0091454  -0.0759642   0.0316104  -0.0316104  -0.0000000
   57    0.0325600  -0.3032174   0.1265406  -0.1265406  -0.0000000
   58    0.0043114  -0.0233619   0.0097214  -0.0167102  -0.0000000
   59   -0.0043114   0.0233619  -0.0167102   0.0097214   0.0000000
   60   -0.0062759  -0.0167102  -0.0098417   0.0098417  -0.0000000
   61    0.0026811  -0.0069508   0.0028964  -0.0063108  -0.0000000
   62   -0.0026811   0.0069508  -0.0063108   0.0028964   0.0000000
   63   -0.0017265  -0.0057909  -0.0033802   0.0033802  -0.0000000
   64    0.0091408   0.0759699  -0.0316026  -0.0316009  -0.0000000
   65    0.0325413   0.3032407  -0.1265099  -0.1265030  -0.0000000
   66   -0.0043092  -0.0233665   0.0097202   0.0167060   0.0000000
   67   -0.0043090  -0.0233633   0.0167060   0.0097183   0.0000000
   68   -0.0062752   0.0167060   0.0098470   0.0098465  -0.0000000
   69   -0.0026805  -0.0069524   0.0028959   0.0063095   0.0000000
   70   -0.0026803  -0.0069511   0.0063093   0.0028954   0.0000000
   71   -0.0017263   0.0057896   0.0033820   0.0033820  -0.0000000

            26          27          28          29          30

   26    0.0000056
   27    0.0000000   0.0000004
   28   -0.0000000  -0.0000000   0.0000004
   29   -0.0000159  -0.0000000   0.0000000   0.0000462
   30    0.0001564   0.0000000  -0.0000000  -0.0005133   0.0165896
   31    0.0000000   0.0000156  -0.0000000  -0.0000001   0.0000036
   32   -0.0000000  -0.0000000   0.0000156   0.0000001  -0.0000036
   33   -0.0004136  -0.0000001   0.0000001   0.0013806  -0.0506473
   34    0.0000028   0.0000000  -0.0000000  -0.0000078   0.0000776
   35    0.0000028   0.0000000  -0.0000000  -0.0000078   0.0000776
   36    0.0001308   0.0000000  -0.0000000  -0.0004015   0.0068012
   37   -0.0000000  -0.0000000   0.0000000   0.0000000  -0.0000000
   38   -0.0000000  -0.0000061   0.0000000   0.0000000  -0.0000008
   39    0.0000000   0.0000000  -0.0000061  -0.0000000   0.0000008
   40   -0.0000001   0.0000000  -0.0000000   0.0000001   0.0000334
   41    0.0000126   0.0000015  -0.0000015  -0.0000466   0.0034071
   42    0.0000000   0.0000000  -0.0000000  -0.0000001  -0.0000150
   43   -0.0000000  -0.0000000   0.0000000   0.0000001   0.0000150
   44   -0.0000000   0.0000000  -0.0000000   0.0000000   0.0000190
   45   -0.0000239  -0.0000022   0.0000031   0.0000885  -0.0064849
   46    0.0000239   0.0000031  -0.0000022  -0.0000885   0.0064849
   47    0.0000142   0.0000023  -0.0000023  -0.0000510   0.0029538
   48   -0.0000001  -0.0000000  -0.0000000   0.0000001   0.0000334
   49    0.0000126  -0.0000015  -0.0000015  -0.0000466   0.0034070
   50   -0.0000000   0.0000000   0.0000000   0.0000001   0.0000150
   51   -0.0000000   0.0000000   0.0000000   0.0000001   0.0000150
   52   -0.0000000  -0.0000000  -0.0000000   0.0000000   0.0000190
   53    0.0000239  -0.0000022  -0.0000031  -0.0000885   0.0064842
   54    0.0000239  -0.0000030  -0.0000022  -0.0000885   0.0064846
   55    0.0000142  -0.0000023  -0.0000023  -0.0000510   0.0029545
   56   -0.0000001  -0.0000000   0.0000000   0.0000001   0.0000334
   57    0.0000126  -0.0000015   0.0000015  -0.0000466   0.0034068
   58   -0.0000000   0.0000000  -0.0000000   0.0000001   0.0000150
   59    0.0000000  -0.0000000   0.0000000  -0.0000001  -0.0000150
   60   -0.0000000  -0.0000000   0.0000000   0.0000000   0.0000190
   61    0.0000239  -0.0000022   0.0000030  -0.0000885   0.0064839
   62   -0.0000239   0.0000030  -0.0000022   0.0000885  -0.0064839
   63    0.0000142  -0.0000023   0.0000023  -0.0000510   0.0029552
   64   -0.0000001   0.0000000   0.0000000   0.0000001   0.0000334
   65    0.0000126   0.0000015   0.0000015  -0.0000466   0.0034070
   66    0.0000000   0.0000000   0.0000000  -0.0000001  -0.0000150
   67    0.0000000   0.0000000   0.0000000  -0.0000001  -0.0000150
   68   -0.0000000   0.0000000   0.0000000   0.0000000   0.0000190
   69   -0.0000239  -0.0000022  -0.0000030   0.0000885  -0.0064846
   70   -0.0000239  -0.0000031  -0.0000022   0.0000885  -0.0064842
   71    0.0000142   0.0000023   0.0000023  -0.0000510   0.0029545

            31          32          33          34          35

   31    0.0012942
   32   -0.0000000   0.0012942
   33   -0.0000109   0.0000109   0.1561917
   34    0.0000000  -0.0000000  -0.0002069   0.0000016
   35    0.0000000  -0.0000000  -0.0002069   0.0000013   0.0000016
   36    0.0000013  -0.0000013  -0.0193563   0.0000630   0.0000630
   37   -0.0000000   0.0000000   0.0000000  -0.0000000  -0.0000000
   38   -0.0003268   0.0000000   0.0000023  -0.0000000  -0.0000000
   39    0.0000000  -0.0003268  -0.0000023   0.0000000   0.0000000
   40    0.0000662  -0.0000662  -0.0001305   0.0000000   0.0000000
   41    0.0003810  -0.0003810  -0.0110413   0.0000077   0.0000077
   42   -0.0000333   0.0000410   0.0000642   0.0000000   0.0000000
   43    0.0000410  -0.0000333  -0.0000642  -0.0000000  -0.0000000
   44    0.0000568  -0.0000568  -0.0000750  -0.0000000  -0.0000000
   45   -0.0004184   0.0005746   0.0209594  -0.0000137  -0.0000153
   46    0.0005746  -0.0004184  -0.0209594   0.0000153   0.0000137
   47    0.0002835  -0.0002835  -0.0093859   0.0000086   0.0000086
   48   -0.0000662  -0.0000662  -0.0001305   0.0000000   0.0000000
   49   -0.0003795  -0.0003810  -0.0110409   0.0000077   0.0000077
   50   -0.0000333  -0.0000410  -0.0000642  -0.0000000  -0.0000000
   51   -0.0000410  -0.0000333  -0.0000642  -0.0000000  -0.0000000
   52   -0.0000568  -0.0000568  -0.0000750  -0.0000000  -0.0000000
   53   -0.0004154  -0.0005746  -0.0209573   0.0000137   0.0000153
   54   -0.0005716  -0.0004184  -0.0209586   0.0000153   0.0000137
   55   -0.0002822  -0.0002835  -0.0093883   0.0000086   0.0000086
   56   -0.0000662   0.0000662  -0.0001305   0.0000000   0.0000000
   57   -0.0003795   0.0003795  -0.0110404   0.0000077   0.0000077
   58   -0.0000333   0.0000410  -0.0000642  -0.0000000  -0.0000000
   59    0.0000410  -0.0000333   0.0000642   0.0000000   0.0000000
   60   -0.0000568   0.0000568  -0.0000751  -0.0000000  -0.0000000
   61   -0.0004154   0.0005716  -0.0209564   0.0000137   0.0000152
   62    0.0005716  -0.0004154   0.0209564  -0.0000152  -0.0000137
   63   -0.0002823   0.0002823  -0.0093907   0.0000086   0.0000086
   64    0.0000662   0.0000662  -0.0001305   0.0000000   0.0000000
   65    0.0003810   0.0003795  -0.0110409   0.0000077   0.0000077
   66   -0.0000333  -0.0000410   0.0000642   0.0000000   0.0000000
   67   -0.0000410  -0.0000333   0.0000642   0.0000000   0.0000000
   68    0.0000568   0.0000568  -0.0000750  -0.0000000  -0.0000000
   69   -0.0004184  -0.0005716   0.0209586  -0.0000137  -0.0000153
   70   -0.0005746  -0.0004154   0.0209573  -0.0000153  -0.0000137
   71    0.0002835   0.0002822  -0.0093883   0.0000086   0.0000086

            36          37          38          39          40

   36    0.0041382
   37   -0.0000000   0.0000004
   38   -0.0000005   0.0000000   0.0001097
   39    0.0000005  -0.0000000  -0.0000000   0.0001097
   40    0.0000015  -0.0000001  -0.0000004   0.0000004   0.6670633
   41    0.0008999  -0.0000020  -0.0000431   0.0000431   0.2587012
   42    0.0000002   0.0000000   0.0000000  -0.0000001  -0.0000000
   43   -0.0000002  -0.0000000  -0.0000001   0.0000000   0.0000000
   44   -0.0000000  -0.0000000  -0.0000001   0.0000001   0.0000000
   45   -0.0017147   0.0000034   0.0000650  -0.0000896  -0.0000140
   46    0.0017147  -0.0000034  -0.0000896   0.0000650   0.0000140
   47    0.0008900  -0.0000019  -0.0000535   0.0000535   0.0000058
   48    0.0000015   0.0000001   0.0000004   0.0000004   0.0000001
   49    0.0008998   0.0000020   0.0000429   0.0000431   0.0005525
   50   -0.0000002   0.0000000   0.0000000   0.0000001   0.0000001
   51   -0.0000002   0.0000000   0.0000001   0.0000000  -0.0000000
   52   -0.0000000   0.0000000   0.0000001   0.0000001  -0.0000000
   53    0.0017145   0.0000034   0.0000646   0.0000896   0.0015425
   54    0.0017146   0.0000034   0.0000892   0.0000650   0.0000076
   55    0.0008902   0.0000019   0.0000533   0.0000536   0.0000033
   56    0.0000015  -0.0000001   0.0000004  -0.0000004   0.0000000
   57    0.0008998  -0.0000020   0.0000429  -0.0000429   0.0000036
   58   -0.0000002  -0.0000000   0.0000000  -0.0000001   0.0000000
   59    0.0000002   0.0000000  -0.0000001   0.0000000  -0.0000000
   60   -0.0000000  -0.0000000   0.0000001  -0.0000001   0.0000000
   61    0.0017144  -0.0000034   0.0000646  -0.0000891   0.0000065
   62   -0.0017144   0.0000034  -0.0000891   0.0000646  -0.0000065
   63    0.0008904  -0.0000019   0.0000533  -0.0000533   0.0000020
   64    0.0000015   0.0000001  -0.0000004  -0.0000004   0.0000001
   65    0.0008998   0.0000020  -0.0000431  -0.0000429   0.0005525
   66    0.0000002  -0.0000000   0.0000000   0.0000001   0.0000000
   67    0.0000002  -0.0000000   0.0000001   0.0000000  -0.0000001
   68   -0.0000000   0.0000000  -0.0000001  -0.0000001  -0.0000000
   69   -0.0017146  -0.0000034   0.0000650   0.0000892  -0.0000076
   70   -0.0017145  -0.0000034   0.0000896   0.0000646  -0.0015425
   71    0.0008902   0.0000019  -0.0000536  -0.0000533   0.0000033

            41          42          43          44          45

   41    1.1186309
   42   -0.0000019   0.5441095
   43    0.0000019  -0.0000000   0.5441095
   44    0.0000008  -0.0000000   0.0000000   0.5441095
   45   -0.0021873   0.1732577  -0.0000035  -0.0000015   0.0633998
   46    0.0021873  -0.0000035   0.1732577   0.0000015  -0.0041733
   47    0.0009064  -0.0000015   0.0000015   0.1732548  -0.0017354
   48    0.0005525  -0.0000001  -0.0000000  -0.0000000  -0.0015425
   49    0.0039088  -0.0005745   0.0000008   0.0000003  -0.0061590
   50    0.0005745  -0.0000000  -0.0000000  -0.0000000  -0.0016398
   51    0.0000008   0.0000000  -0.0000000  -0.0000000  -0.0000019
   52    0.0000004   0.0000000  -0.0000000  -0.0000000  -0.0000009
   53    0.0061589  -0.0016398   0.0000018   0.0000006  -0.0048895
   54    0.0018107  -0.0000015   0.0001225   0.0000006  -0.0035937
   55    0.0007535  -0.0000008   0.0000006   0.0001213  -0.0014949
   56    0.0000036  -0.0000000   0.0000000   0.0000000  -0.0000065
   57    0.0008247  -0.0000013   0.0000013   0.0000002  -0.0016000
   58    0.0000013  -0.0000000   0.0000000   0.0000000  -0.0000020
   59   -0.0000013   0.0000000  -0.0000000  -0.0000000   0.0000021
   60    0.0000002  -0.0000000   0.0000000   0.0000000  -0.0000004
   61    0.0015999  -0.0000020   0.0000021   0.0000004  -0.0030924
   62   -0.0015999   0.0000021  -0.0000020  -0.0000004   0.0031273
   63    0.0006325  -0.0000004   0.0000004   0.0000002  -0.0012300
   64    0.0005525   0.0000000   0.0000001  -0.0000000  -0.0000076
   65    0.0039088  -0.0000008   0.0005745   0.0000003  -0.0018106
   66   -0.0000008  -0.0000000   0.0000000   0.0000000   0.0001225
   67   -0.0005745  -0.0000000  -0.0000000   0.0000000   0.0000015
   68    0.0000004   0.0000000  -0.0000000  -0.0000000  -0.0000006
   69   -0.0018107   0.0001225  -0.0000015  -0.0000006   0.0035110
   70   -0.0061589   0.0000018  -0.0016398  -0.0000006   0.0035935
   71    0.0007535  -0.0000006   0.0000008   0.0001213  -0.0014148

            46          47          48          49          50

   46    0.0633998
   47    0.0017354   0.0599272
   48    0.0000076   0.0000030   0.6670633
   49    0.0018106   0.0007526   0.2587012   1.1186308
   50    0.0000015   0.0000005   0.0000000   0.0000019   0.5441095
   51    0.0001225   0.0000006   0.0000000   0.0000019   0.0000000
   52    0.0000006   0.0001213   0.0000000   0.0000008   0.0000000
   53    0.0035935   0.0014942   0.0000140   0.0021870   0.1732577
   54    0.0035110   0.0014143   0.0000140   0.0021871   0.0000035
   55    0.0014148   0.0006982   0.0000058   0.0009066   0.0000015
   56    0.0000065   0.0000020   0.0000001   0.0005525  -0.0000000
   57    0.0016000   0.0006321   0.0005525   0.0039084   0.0000008
   58    0.0000021   0.0000004  -0.0000000   0.0000008  -0.0000000
   59   -0.0000020  -0.0000004  -0.0000001  -0.0005745   0.0000000
   60    0.0000004   0.0000002  -0.0000000   0.0000004  -0.0000000
   61    0.0031273   0.0012291   0.0000076   0.0018104   0.0001225
   62   -0.0030924  -0.0012291  -0.0015424  -0.0061583  -0.0000018
   63    0.0012300   0.0005074   0.0000033   0.0007536   0.0000006
   64    0.0015425   0.0000030   0.0000000   0.0000036   0.0000000
   65    0.0061590   0.0007526   0.0000036   0.0008247   0.0000013
   66   -0.0000019  -0.0000006  -0.0000000  -0.0000013  -0.0000000
   67   -0.0016398  -0.0000005  -0.0000000  -0.0000013  -0.0000000
   68    0.0000009   0.0001213   0.0000000   0.0000002   0.0000000
   69   -0.0035937  -0.0014143  -0.0000065  -0.0016000  -0.0000020
   70   -0.0048895  -0.0014942  -0.0000065  -0.0015999  -0.0000021
   71    0.0014949   0.0006982   0.0000020   0.0006323   0.0000004

            51          52          53          54          55

   51    0.5441095
   52    0.0000000   0.5441095
   53    0.0000035   0.0000015   0.0633990
   54    0.1732577   0.0000015   0.0041727   0.0633995
   55    0.0000015   0.1732548   0.0017357   0.0017358   0.0599276
   56    0.0000001  -0.0000000   0.0000076   0.0015424   0.0000030
   57    0.0005745   0.0000003   0.0018104   0.0061584   0.0007528
   58   -0.0000000  -0.0000000   0.0001225   0.0000019   0.0000006
   59   -0.0000000   0.0000000  -0.0000015  -0.0016396  -0.0000005
   60   -0.0000000  -0.0000000   0.0000006   0.0000009   0.0001213
   61    0.0000015   0.0000006   0.0035103   0.0035931   0.0014145
   62   -0.0016396  -0.0000006  -0.0035929  -0.0048891  -0.0014945
   63    0.0000008   0.0001213   0.0014150   0.0014953   0.0006985
   64    0.0000000   0.0000000   0.0000065   0.0000065   0.0000020
   65    0.0000013   0.0000002   0.0015999   0.0016000   0.0006323
   66   -0.0000000  -0.0000000  -0.0000020  -0.0000021  -0.0000004
   67   -0.0000000  -0.0000000  -0.0000021  -0.0000020  -0.0000004
   68    0.0000000   0.0000000   0.0000004   0.0000004   0.0000002
   69   -0.0000021  -0.0000004  -0.0030924  -0.0031275  -0.0012296
   70   -0.0000020  -0.0000004  -0.0031272  -0.0030924  -0.0012295
   71    0.0000004   0.0000002   0.0012295   0.0012296   0.0005074

            56          57          58          59          60

   56    0.6670633
   57    0.2587012   1.1186307
   58    0.0000000   0.0000019   0.5441095
   59   -0.0000000  -0.0000019  -0.0000000   0.5441095
   60    0.0000000   0.0000008   0.0000000  -0.0000000   0.5441095
   61    0.0000140   0.0021868   0.1732577  -0.0000035   0.0000015
   62   -0.0000140  -0.0021868  -0.0000035   0.1732577  -0.0000015
   63    0.0000058   0.0009068   0.0000015  -0.0000015   0.1732548
   64    0.0000001   0.0005525   0.0000001   0.0000000  -0.0000000
   65    0.0005525   0.0039084   0.0005745  -0.0000008   0.0000004
   66   -0.0000001  -0.0005745  -0.0000000  -0.0000000   0.0000000
   67    0.0000000  -0.0000008   0.0000000  -0.0000000   0.0000000
   68   -0.0000000   0.0000003  -0.0000000   0.0000000  -0.0000000
   69   -0.0015424  -0.0061584  -0.0016396   0.0000019  -0.0000009
   70   -0.0000076  -0.0018104  -0.0000015   0.0001225  -0.0000006
   71    0.0000030   0.0007528   0.0000005  -0.0000006   0.0001213

            61          62          63          64          65

   61    0.0633986
   62   -0.0041721   0.0633986
   63    0.0017361  -0.0017361   0.0599280
   64    0.0015424  -0.0000076   0.0000033   0.6670633
   65    0.0061583  -0.0018104   0.0007536   0.2587012   1.1186308
   66   -0.0016396   0.0000015  -0.0000008  -0.0000000  -0.0000019
   67   -0.0000018   0.0001225  -0.0000006  -0.0000000  -0.0000019
   68    0.0000006  -0.0000006   0.0001213   0.0000000   0.0000008
   69   -0.0048891   0.0035931  -0.0014953  -0.0000140  -0.0021871
   70   -0.0035929   0.0035103  -0.0014150  -0.0000140  -0.0021870
   71    0.0014945  -0.0014145   0.0006985   0.0000058   0.0009066

            66          67          68          69          70

   66    0.5441095
   67    0.0000000   0.5441095
   68   -0.0000000  -0.0000000   0.5441095
   69    0.1732577   0.0000035  -0.0000015   0.0633995
   70    0.0000035   0.1732577  -0.0000015   0.0041727   0.0633990
   71   -0.0000015  -0.0000015   0.1732548  -0.0017358  -0.0017357

            71

   71    0.0599276
 1E INTEGRALS, WITH ECP CHANGES

             1           2           3           4           5

    1  -19.0912576
    2   15.7886172 -17.7026244
    3   -6.7052059   0.1697979 -11.8654843
    4    0.0000181  -0.0000097   0.0000108 -17.7624852
    5   -0.0000181   0.0000097  -0.0000108  -0.0000000 -17.7624852
    6   -0.2977222   0.1583430  -0.1773147   0.0000121  -0.0000121
    7    0.0000046   0.0000097   0.0000165  -3.5450022  -0.0000000
    8   -0.0000046  -0.0000097  -0.0000165  -0.0000000  -3.5450022
    9   -0.0759330  -0.1613239  -0.2663852   0.0000067  -0.0000067
   10    0.0000019   0.0000036   0.0000047  -1.5311018  -0.0000000
   11   -0.0000019  -0.0000036  -0.0000047  -0.0000000  -1.5311018
   12   -0.0310193  -0.0593260  -0.0634127   0.0000026  -0.0000026
   13  -12.2447682   7.4694185  -6.7386531   0.0000191  -0.0000061
   14  -12.2447682   7.4694185  -6.7386531   0.0000061  -0.0000191
   15  -12.3585457   7.4504855  -6.8849691   0.0000206  -0.0000206
   16   -0.0000000  -0.0000000  -0.0000001  -0.0000105   0.0000105
   17    0.0000150   0.0000026   0.0000195  -0.1901202   0.0000000
   18   -0.0000150  -0.0000026  -0.0000195   0.0000000  -0.1901202
   19   -2.3632218  -2.4135305  -8.2891023   0.0000041  -0.0000012
   20   -2.3632218  -2.4135305  -8.2891023   0.0000012  -0.0000041
   21   -2.4076741  -2.5221772  -8.4084623   0.0000117  -0.0000117
   22   -0.0000000  -0.0000000  -0.0000000  -0.0000020   0.0000020
   23    0.0000059   0.0000152   0.0000188  -0.0457122   0.0000000
   24   -0.0000059  -0.0000152  -0.0000188   0.0000000  -0.0457122
   25   -0.0759268  -0.7500506  -1.1249178   0.0000214  -0.0000214
   26   -0.5433710  -1.6059283  -2.9685796   0.0000971  -0.0000971
   27   -0.0000568  -0.0000297  -0.0000538  -0.2858170  -0.0000000
   28    0.0000568   0.0000297   0.0000538  -0.0000000  -0.2858170
   29    0.8062324   0.4221575   0.7640072  -0.0001404   0.0001404
   30   -2.6884205  -0.9661534  -5.5443366   0.0002490  -0.0002490
   31   -0.0004190   0.0001725  -0.0002354  -1.9935671  -0.0000000
   32    0.0004190  -0.0001725   0.0002354  -0.0000000  -1.9935671
   33    5.9469870  -2.4479838   3.3445634  -0.0005403   0.0005403
   34   -0.4478144  -1.5249865  -2.9725497  -0.0000170  -0.0000738
   35   -0.4478144  -1.5249865  -2.9725497   0.0000738   0.0000170
   36   -2.4982374  -0.0454108  -3.4082616   0.0003913  -0.0003913
   37    0.0000000  -0.0000000   0.0000000   0.0000786  -0.0000786
   38    0.0002502  -0.0001805   0.0000532   1.1165701   0.0000000
   39   -0.0002502   0.0001805  -0.0000532   0.0000000   1.1165701
   40   -0.0713378  -0.6252282  -2.2045267  -0.1416241   0.1416241
   41   -0.7828468  -0.7860034  -3.7657968  -0.7024831   0.7024831
   42    0.0559106   0.4260634   0.6404930   0.1043589  -0.1287256
   43   -0.0559106  -0.4260634  -0.6404930  -0.1287256   0.1043589
   44   -0.0233191  -0.1776869  -0.2670912  -0.0536525   0.0536525
   45    1.3229247   0.4300354   2.2787068   0.8260151  -1.2733653
   46   -1.3229247  -0.4300354  -2.2787068  -1.2733653   0.8260151
   47   -0.5550917  -0.1836582  -0.9569046  -0.5325424   0.5325424
   48   -0.0713329  -0.6252095  -2.2044976   0.1416080   0.1416159
   49   -0.7828188  -0.7859966  -3.7657522   0.7024244   0.7024626
   50   -0.0559034  -0.4260288  -0.6404509   0.1043384   0.1287107
   51   -0.0559066  -0.4260527  -0.6404868   0.1287107   0.1043529
   52   -0.0233249  -0.1777393  -0.2671742   0.0536635   0.0536665
   53   -1.3228069  -0.4300264  -2.2785602   0.8258580   1.2732605
   54   -1.3228816  -0.4300508  -2.2786884   1.2732627   0.8259991
   55   -0.5552502  -0.1837221  -0.9572014   0.5326695   0.5326985
   56   -0.0713277  -0.6251894  -2.2044665   0.1415992  -0.1415992
   57   -0.7827888  -0.7859894  -3.7657045   0.7024026  -0.7024026
   58   -0.0558992  -0.4260174  -0.6404443   0.1043321  -0.1286953
   59    0.0558992   0.4260174   0.6404443  -0.1286953   0.1043321
   60   -0.0233305  -0.1777911  -0.2672565   0.0536771  -0.0536771
   61   -1.3227610  -0.4300429  -2.2785409   0.8258412  -1.2731559
   62    1.3227610   0.4300429   2.2785409  -1.2731559   0.8258412
   63   -0.5554064  -0.1837862  -0.9574960   0.5328237  -0.5328237
   64   -0.0713329  -0.6252095  -2.2044976  -0.1416159  -0.1416080
   65   -0.7828188  -0.7859966  -3.7657522  -0.7024626  -0.7024244
   66    0.0559066   0.4260527   0.6404868   0.1043529   0.1287107
   67    0.0559034   0.4260288   0.6404509   0.1287107   0.1043384
   68   -0.0233249  -0.1777393  -0.2671742  -0.0536665  -0.0536635
   69    1.3228816   0.4300508   2.2786884   0.8259991   1.2732627
   70    1.3228069   0.4300264   2.2785602   1.2732605   0.8258580
   71   -0.5552502  -0.1837221  -0.9572014  -0.5326985  -0.5326695

             6           7           8           9          10

    6  -17.9210018
    7    0.0000067 -11.2810132
    8   -0.0000067  -0.0000000 -11.2810132
    9   -3.6324331   0.0000134  -0.0000134 -11.4205156
   10    0.0000026  -7.0357628   0.0000000  -0.0000006  -7.9087635
   11   -0.0000026   0.0000000  -7.0357628   0.0000006   0.0000001
   12   -1.5643274  -0.0000006   0.0000006  -6.9992876  -0.0000122
   13   -0.1097661   0.0000043  -0.0000010  -0.0318888   0.0000015
   14   -0.1097661   0.0000010  -0.0000043  -0.0318888   0.0000004
   15   -0.5322572   0.0000228  -0.0000228  -0.4009864   0.0000089
   16    0.0000000  -0.0000017   0.0000017   0.0000000  -0.0000006
   17    0.0000357  -0.0552240   0.0000000   0.0000394  -0.0203462
   18   -0.0000357   0.0000000  -0.0552240  -0.0000394   0.0000000
   19   -0.0263943  -0.0000166   0.0000060   0.0653276  -0.0000138
   20   -0.0263943  -0.0000060   0.0000166   0.0653276  -0.0000046
   21   -0.2267013   0.0000654  -0.0000654  -0.8290703   0.0000334
   22    0.0000000   0.0000105  -0.0000105   0.0000001   0.0000080
   23    0.0000202   0.1134233   0.0000001   0.0001132   0.1106733
   24   -0.0000202   0.0000001   0.1134233  -0.0001132   0.0000001
   25   -0.3041468   0.0001565  -0.0001565  -2.2227132   0.0000634
   26   -1.3791467   0.0003731  -0.0003731  -5.2972050   0.0001620
   27   -0.0001404  -1.1321115  -0.0000000  -0.0001300  -0.4887483
   28    0.0001404  -0.0000000  -1.1321115   0.0001300  -0.0000000
   29    1.7075054  -0.0001301   0.0001301   0.7149076  -0.0000289
   30   -3.5390641   0.0005519  -0.0005519  -7.8352650   0.0002753
   31   -0.0005409  -4.1067511  -0.0000000  -0.0003933  -2.0806027
   32    0.0005409  -0.0000000  -4.1067511   0.0003933  -0.0000000
   33    5.6863390  -0.0003934   0.0003934   1.4830181  -0.0001121
   34   -1.0484764   0.0002822  -0.0003537  -5.0217291   0.0001464
   35   -1.0484764   0.0003537  -0.0002822  -5.0217291   0.0001637
   36   -4.2671195   0.0004028  -0.0004028  -4.7037797   0.0001773
   37    0.0000000   0.0000619  -0.0000619   0.0000000   0.0000149
   38    0.0004713   0.8794868   0.0000000   0.0000232   0.2126242
   39   -0.0004713   0.0000000   0.8794868  -0.0000232   0.0000000
   40    0.0586333  -2.6492864   2.6492864   1.1008148  -2.0247384
   41    0.2818847  -3.7375896   3.7375896   1.5438264  -2.9816947
   42   -0.0533639   0.4752506  -1.2418589  -0.5151197  -0.1778551
   43    0.0533639  -1.2418589   0.4752506   0.5151197  -0.4066094
   44   -0.0020462  -0.5167831   0.5167831  -0.5491051  -0.1688455
   45   -0.5115850   0.6350908  -3.1578338  -1.2883446  -0.7209491
   46    0.5115850  -3.1578338   0.6350908   1.2883446  -1.2599274
   47   -0.2334630  -1.3100906   1.3100906  -1.9471823  -0.5170602
   48    0.0586488   2.6491015   2.6492501   1.1011532   2.0246204
   49    0.2819702   3.7373451   3.7375541   1.5443104   2.9815235
   50    0.0533749   0.4751162   1.2417777   0.5152514  -0.1778950
   51    0.0533779   1.2417777   0.4752553   0.5152806   0.4065869
   52   -0.0020316   0.5169148   0.5169441  -0.5489529   0.1688903
   53    0.5117129   0.6347694   3.1576446   1.2886837  -0.7210684
   54    0.5117416   3.1576458   0.6351204   1.2887606   1.2598608
   55   -0.2333120   1.3104295   1.3105071  -1.9467959   0.5171972
   56    0.0586640   2.6490630  -2.6490630   1.1014886   2.0246159
   57    0.2820547   3.7373078  -3.7373078   1.5447905   2.9815196
   58    0.0533885   0.4751217  -1.2416960   0.5154110  -0.1778890
   59   -0.0533885  -1.2416960   0.4751217  -0.5154110  -0.4065646
   60   -0.0020169   0.5170745  -0.5170745  -0.5488005   0.1689444
   61    0.5118676   0.6348019  -3.1574567   1.2890971  -0.7210470
   62   -0.5118676  -3.1574567   0.6348019  -1.2890971  -1.2597948
   63   -0.2331610   1.3108434  -1.3108434  -1.9464087   0.5173662
   64    0.0586488  -2.6492501  -2.6491015   1.1011532  -2.0247340
   65    0.2819702  -3.7375541  -3.7373451   1.5443104  -2.9816907
   66   -0.0533779   0.4752553   1.2417777  -0.5152806  -0.1778496
   67   -0.0533749   1.2417777   0.4751162  -0.5152514   0.4065870
   68   -0.0020316  -0.5169441  -0.5169148  -0.5489529  -0.1689000
   69   -0.5117416   0.6351204   3.1576458  -1.2887606  -0.7209294
   70   -0.5117129   3.1576446   0.6347694  -1.2886837   1.2598607
   71   -0.2333120  -1.3105071  -1.3104295  -1.9467959  -0.5172299

            11          12          13          14          15

   11   -7.9087635
   12    0.0000122  -7.7160354
   13   -0.0000004  -0.0117492 -16.4775982
   14   -0.0000015  -0.0117492  -6.1143832 -16.4775982
   15   -0.0000089  -0.1549198  -6.1406360  -6.1406360 -16.8722281
   16    0.0000006   0.0000000  -0.0000001  -0.0000001  -0.0000000
   17    0.0000000   0.0000154   0.0000158   0.0000040   0.0000359
   18   -0.0203462  -0.0000154  -0.0000040  -0.0000158  -0.0000359
   19    0.0000046   0.0637983  -6.0613162  -2.1567888  -2.1548557
   20    0.0000138   0.0637983  -2.1567888  -6.0613162  -2.1548557
   21   -0.0000334  -0.3614903  -2.1548494  -2.1548494  -6.3648836
   22   -0.0000080   0.0000001  -0.0000000  -0.0000000  -0.0000000
   23    0.0000001   0.0000579   0.0000077   0.0000006   0.0000322
   24    0.1106733  -0.0000579  -0.0000006  -0.0000077  -0.0000322
   25   -0.0000634  -0.9001475  -0.0069740  -0.0069740  -1.0479049
   26   -0.0001620  -2.2998900  -0.2291224  -0.2291224  -3.2764266
   27   -0.0000000  -0.0000289   0.0000697  -0.0000212  -0.0003145
   28   -0.4887483   0.0000289   0.0000212  -0.0000697   0.0003145
   29    0.0000289  -0.0780264   0.3010624   0.3010624   3.1739111
   30   -0.0002753  -3.9088847  -1.9574361  -1.9574361  -5.7361287
   31   -0.0000000  -0.0001119  -0.0000279  -0.0003046  -0.0008100
   32   -2.0806027   0.0001119   0.0003046   0.0000279   0.0008100
   33    0.0001121  -0.4876177   4.3238144   4.3238144   7.5697313
   34   -0.0001637  -2.3237665  -0.5990259  -0.2212751  -2.3913601
   35   -0.0001464  -2.3237665  -0.2212751  -0.5990259  -2.3913601
   36   -0.0001773  -2.2717289  -1.1109113  -1.1109113  -6.3153576
   37   -0.0000149   0.0000000  -0.0000000  -0.0000000   0.0000001
   38    0.0000000   0.0000087  -0.0001659   0.0001085   0.0007071
   39    0.2126242  -0.0000087  -0.0001085   0.0001659  -0.0007071
   40    2.0247384   0.8416983  -0.3030098  -0.3030098  -0.0959958
   41    2.9816947   1.2370284  -1.2026734  -1.2026734  -0.7654586
   42   -0.4066094  -0.1683092   0.1957900   0.3007255   0.0817821
   43   -0.1778551   0.1683092  -0.3007255  -0.1957900  -0.0817821
   44    0.1688455  -0.5122673  -0.1252603  -0.1252603   0.0093105
   45   -1.2599274  -0.5111035   1.3509068   2.0731757   1.2581574
   46   -0.7209491   0.5111035  -2.0731757  -1.3509068  -1.2581574
   47    0.5170602  -1.7384632  -0.8656770  -0.8656770  -0.2391845
   48    2.0247340   0.8419667  -0.3029667  -0.3029947  -0.0960182
   49    2.9816907   1.2374245  -1.2025805  -1.2026386  -0.7654902
   50    0.4065870   0.1683538  -0.1957405  -0.3006933  -0.0818022
   51   -0.1778496   0.1683635  -0.3006805  -0.1957811  -0.0818069
   52    0.1689000  -0.5122170  -0.1252817  -0.1252941   0.0093006
   53    1.2598607   0.5112405  -1.3506918  -2.0730069  -1.2581538
   54   -0.7209294   0.5112728  -2.0730152  -1.3508762  -1.2582259
   55    0.5172299  -1.7383093  -0.8658867  -0.8659319  -0.2392934
   56   -2.0246159   0.8422333  -0.3029507  -0.3029507  -0.0960399
   57   -2.9815196   1.2378183  -1.2025433  -1.2025433  -0.7655196
   58   -0.4065646   0.1684079  -0.1957310  -0.3006473  -0.0818265
   59   -0.1778890  -0.1684079   0.3006473   0.1957310   0.0818265
   60   -0.1689444  -0.5121666  -0.1253148  -0.1253148   0.0092906
   61   -1.2597948   0.5114090  -1.3506595  -2.0728433  -1.2582193
   62   -0.7210470  -0.5114090   2.0728433   1.3506595   1.2582193
   63   -0.5173662  -1.7381549  -0.8661386  -0.8661386  -0.2394012
   64   -2.0246204   0.8419667  -0.3029947  -0.3029667  -0.0960182
   65   -2.9815235   1.2374245  -1.2026386  -1.2025805  -0.7654902
   66    0.4065869  -0.1683635   0.1957811   0.3006805   0.0818069
   67   -0.1778950  -0.1683538   0.3006933   0.1957405   0.0818022
   68   -0.1688903  -0.5122170  -0.1252941  -0.1252817   0.0093006
   69    1.2598608  -0.5112728   1.3508762   2.0730152   1.2582259
   70   -0.7210684  -0.5112405   2.0730069   1.3506918   1.2581538
   71   -0.5171972  -1.7383093  -0.8659319  -0.8658867  -0.2392934

            16          17          18          19          20

   16  -15.5978409
   17   -0.0000070 -15.6765971
   18    0.0000070  -0.0000000 -15.6765971
   19   -0.0000000   0.0000077  -0.0000006 -11.5082941
   20   -0.0000000   0.0000006  -0.0000077  -4.0435056 -11.5082941
   21   -0.0000000   0.0000322  -0.0000322  -3.9227138  -3.9227138
   22   -5.9409483  -0.0000010   0.0000010  -0.0000000  -0.0000000
   23   -0.0000010  -5.9351022  -0.0000000  -0.0000022  -0.0000126
   24    0.0000010  -0.0000000  -5.9351022   0.0000126   0.0000022
   25    0.0000000   0.0001270  -0.0001270  -0.0190685  -0.0190685
   26    0.0000000   0.0003717  -0.0003717  -0.3673792  -0.3673792
   27   -0.0000788  -1.1183629  -0.0000000   0.0001848  -0.0000128
   28    0.0000788  -0.0000000  -1.1183629   0.0000128  -0.0001848
   29   -0.0000000  -0.0004292   0.0004292   0.1822655   0.1822655
   30    0.0000000   0.0004608  -0.0004608  -1.7910500  -1.7910500
   31   -0.0002396  -3.4043185  -0.0000001   0.0003837  -0.0001399
   32    0.0002396  -0.0000001  -3.4043185   0.0001399  -0.0003837
   33   -0.0000001  -0.0006355   0.0006355   1.9861323   1.9861323
   34   -0.0000000  -0.0000097  -0.0002647  -1.1635577  -0.4230588
   35   -0.0000000   0.0002647   0.0000097  -0.4230588  -1.1635577
   36    0.0000001   0.0008631  -0.0008631  -0.6121834  -0.6121834
   37   -0.5669353   0.0002377  -0.0002377  -0.0000000  -0.0000000
   38    0.0002377   2.8078985   0.0000001  -0.0001956   0.0000231
   39   -0.0002377   0.0000001   2.8078985  -0.0000231   0.0001956
   40    0.4325867   0.1793584  -0.1793584  -2.2707087  -2.2707087
   41    0.9090963   0.3707355  -0.3707355  -3.3854329  -3.3854329
   42   -0.3669234  -0.1521871   0.1899418   0.2703634   1.4607009
   43    0.3669234   0.1899418  -0.1521871  -1.4607009  -0.2703634
   44    0.1906952  -0.0114716   0.0114716  -0.6073848  -0.6073848
   45   -1.0675501  -0.4334011   0.6905706   0.5647803   3.6411183
   46    1.0675501   0.6905706  -0.4334011  -3.6411183  -0.5647803
   47    0.7072985  -0.3362728   0.3362728  -1.5080790  -1.5080790
   48   -0.4325420  -0.1793977  -0.1794077  -2.2704497  -2.2706717
   49   -0.9090266  -0.3708280  -0.3708489  -3.3851436  -3.3853920
   50   -0.3668550  -0.1522077  -0.1899828  -0.2702088  -1.4606009
   51   -0.3668858  -0.1899829  -0.1522290  -1.4605335  -0.2703730
   52   -0.1907362   0.0114186   0.0114192  -0.6075097  -0.6075723
   53   -1.0673499  -0.4334616  -0.6907454  -0.5644958  -3.6408905
   54   -1.0674802  -0.6907456  -0.4335391  -3.6408159  -0.5648015
   55   -0.7074728   0.3360564   0.3360726  -1.5084362  -1.5085550
   56    0.4324961  -0.1794460   0.1794460  -2.2704107  -2.2704107
   57    0.9089558  -0.3709402   0.3709402  -3.3851005  -3.3851005
   58    0.3668164  -0.1522489   0.1900230  -0.2702194  -1.4604328
   59   -0.3668164   0.1900230  -0.1522489   1.4604328   0.2702194
   60    0.1907762   0.0113663  -0.0113663  -0.6076957  -0.6076957
   61    1.0672798  -0.4335986   0.6909185  -0.5645194  -3.6405875
   62   -1.0672798   0.6909185  -0.4335986   3.6405875   0.5645194
   63    0.7076451   0.3358563  -0.3358563  -1.5089089  -1.5089089
   64   -0.4325420   0.1794077   0.1793977  -2.2706717  -2.2704497
   65   -0.9090266   0.3708489   0.3708280  -3.3853920  -3.3851436
   66    0.3668858  -0.1522290  -0.1899829   0.2703730   1.4605335
   67    0.3668550  -0.1899828  -0.1522077   1.4606009   0.2702088
   68   -0.1907362  -0.0114192  -0.0114186  -0.6075723  -0.6075097
   69    1.0674802  -0.4335391  -0.6907456   0.5648015   3.6408159
   70    1.0673499  -0.6907454  -0.4334616   3.6408905   0.5644958
   71   -0.7074728  -0.3360726  -0.3360564  -1.5085550  -1.5084362

            21          22          23          24          25

   21  -11.9659311
   22   -0.0000001 -11.6612505
   23    0.0000666   0.0000218 -11.2980734
   24   -0.0000666  -0.0000218  -0.0000001 -11.2980734
   25   -3.0457270   0.0000000   0.0003692  -0.0003692 -40.6712749
   26   -6.8838094   0.0000001   0.0007949  -0.0007949  -9.1494091
   27   -0.0002580  -0.0001712  -2.4303245  -0.0000000  -0.0000094
   28    0.0002580   0.0001712  -0.0000000  -2.4303245   0.0000094
   29    0.8580314  -0.0000000  -0.0002536   0.0002536   0.1343793
   30   -9.2229751   0.0000001   0.0009068  -0.0009068  -6.6475074
   31   -0.0006305  -0.0004534  -6.4378904  -0.0000000  -0.0000013
   32    0.0006305   0.0004534  -0.0000000  -6.4378904   0.0000013
   33    1.5248663  -0.0000001  -0.0003971   0.0003971   0.0185172
   34   -6.1072752   0.0000000   0.0004749  -0.0006934  -1.3555096
   35   -6.1072752   0.0000000   0.0006934  -0.0004749  -1.3555096
   36   -5.7966524   0.0000001   0.0007607  -0.0007607  -1.3585101
   37    0.0000000  -1.1113895   0.0001893  -0.0001893   0.0000000
   38    0.0000905   0.0001894   1.5778408   0.0000000   0.0000004
   39   -0.0000905  -0.0001894   0.0000000   1.5778408  -0.0000004
   40   -0.6328749   3.4258425   1.4239203  -1.4239203  -0.0000001
   41   -1.5404657   3.8267752   1.5903664  -1.5903664  -0.0061418
   42    0.3583087  -1.2746678  -0.5285110   0.9572718   0.0000000
   43   -0.3583087   1.2746678   0.9572718  -0.5285110  -0.0000000
   44    0.3435778   0.9587713  -0.6289224   0.6289224  -0.0000000
   45    1.5723623  -1.6133850  -0.6569391   1.7731220   0.0084870
   46   -1.5723623   1.6133850   1.7731220  -0.6569391  -0.0084870
   47    0.5889227   1.7766592  -1.9017261   1.9017261  -0.0118995
   48   -0.6330811  -3.4256004  -1.4242772  -1.4243568  -0.0000001
   49   -1.5406838  -3.8265320  -1.5907793  -1.5908653  -0.0061416
   50   -0.3584302  -1.2744074  -0.5285727  -0.9575146  -0.0000000
   51   -0.3584506  -1.2745944  -0.9575152  -0.5286803  -0.0000000
   52    0.3436177  -0.9590141   0.6286122   0.6286472  -0.0000000
   53   -1.5725221  -1.6129352  -0.6569698  -1.7735858  -0.0084851
   54   -1.5726160  -1.6133256  -1.7735933  -0.6571668  -0.0084868
   55    0.5889953  -1.7771231   1.9011147   1.9012145  -0.0119002
   56   -0.6332853   3.4253559  -1.4247097   1.4247097  -0.0000001
   57   -1.5408986   3.8262877  -1.5912745   1.5912745  -0.0061414
   58   -0.3585708   1.2743347  -0.5287412   0.9577557  -0.0000000
   59    0.3585708  -1.2743347   0.9577557  -0.5287412   0.0000000
   60    0.3436567   0.9592546   0.6283371  -0.6283371  -0.0000000
   61   -1.5727731   1.6128792  -0.6571975   1.7740540  -0.0084849
   62    1.5727731  -1.6128792   1.7740540  -0.6571975   0.0084849
   63    0.5890665   1.7775838   1.9006034  -1.9006034  -0.0119010
   64   -0.6330811  -3.4256004   1.4243568   1.4242772  -0.0000001
   65   -1.5406838  -3.8265320   1.5908653   1.5907793  -0.0061416
   66    0.3584506   1.2745944  -0.5286803  -0.9575152   0.0000000
   67    0.3584302   1.2744074  -0.9575146  -0.5285727   0.0000000
   68    0.3436177  -0.9590141  -0.6286472  -0.6286122  -0.0000000
   69    1.5726160   1.6133256  -0.6571668  -1.7735933   0.0084868
   70    1.5725221   1.6129352  -1.7735858  -0.6569698   0.0084851
   71    0.5889953  -1.7771231  -1.9012145  -1.9011147  -0.0119002

            26          27          28          29          30

   26  -17.5501788
   27   -0.0000644 -16.0356626
   28    0.0000644   0.0000000 -16.0356626
   29    0.9168361   0.0000167  -0.0000167 -16.2721913
   30  -13.2165895  -0.0000626   0.0000626   0.8913975 -14.9382045
   31   -0.0000427  -7.5271888   0.0000000   0.0000171  -0.0001202
   32    0.0000427   0.0000000  -7.5271888  -0.0000171   0.0001202
   33    0.6078097   0.0000171  -0.0000171  -7.7692028   1.7123645
   34   -8.7657037  -0.0000825   0.0000275   0.3919196  -9.9770125
   35   -8.7657037  -0.0000275   0.0000825   0.3919196  -9.9770125
   36   -8.9769605  -0.0000356   0.0000356   1.2908733 -10.4165035
   37    0.0000000   0.0000476  -0.0000476  -0.0000000   0.0000000
   38    0.0000259   0.6788320  -0.0000000  -0.0000617   0.0000538
   39   -0.0000259  -0.0000000   0.6788320   0.0000617  -0.0000538
   40   -0.0000453  -0.0000570   0.0000570   0.0000839  -0.0139822
   41   -0.0332514  -0.0193644   0.0193644   0.0303548  -0.2060367
   42    0.0000084   0.0000112  -0.0000128  -0.0000187   0.0081115
   43   -0.0000084  -0.0000128   0.0000112   0.0000187  -0.0081115
   44   -0.0000116  -0.0000177   0.0000177   0.0000239  -0.0108329
   45    0.0470400   0.0207444  -0.0300300  -0.0468152   0.2695162
   46   -0.0470400  -0.0300300   0.0207444   0.0468152  -0.2695162
   47   -0.0647783  -0.0414507   0.0414507   0.0547019  -0.3486037
   48   -0.0000453   0.0000570   0.0000570   0.0000839  -0.0139818
   49   -0.0332505   0.0193598   0.0193640   0.0303566  -0.2060325
   50   -0.0000084   0.0000112   0.0000128   0.0000187  -0.0081098
   51   -0.0000084   0.0000128   0.0000112   0.0000187  -0.0081113
   52   -0.0000116   0.0000177   0.0000177   0.0000240  -0.0108336
   53   -0.0470299   0.0207319   0.0300238   0.0468094  -0.2694634
   54   -0.0470389   0.0300230   0.0207442   0.0468183  -0.2695119
   55   -0.0647829   0.0414450   0.0414539   0.0547123  -0.3486328
   56   -0.0000453   0.0000570  -0.0000570   0.0000839  -0.0139813
   57   -0.0332496   0.0193594  -0.0193594   0.0303584  -0.2060281
   58   -0.0000084   0.0000112  -0.0000128   0.0000187  -0.0081095
   59    0.0000084  -0.0000128   0.0000112  -0.0000187   0.0081095
   60   -0.0000116   0.0000177  -0.0000177   0.0000240  -0.0108343
   61   -0.0470289   0.0207317  -0.0300168   0.0468124  -0.2694590
   62    0.0470289  -0.0300168   0.0207317  -0.0468124   0.2694590
   63   -0.0647873   0.0414481  -0.0414481   0.0547227  -0.3486613
   64   -0.0000453  -0.0000570  -0.0000570   0.0000839  -0.0139818
   65   -0.0332505  -0.0193640  -0.0193598   0.0303566  -0.2060325
   66    0.0000084   0.0000112   0.0000128  -0.0000187   0.0081113
   67    0.0000084   0.0000128   0.0000112  -0.0000187   0.0081098
   68   -0.0000116  -0.0000177  -0.0000177   0.0000240  -0.0108336
   69    0.0470389   0.0207442   0.0300230  -0.0468183   0.2695119
   70    0.0470299   0.0300238   0.0207319  -0.0468094   0.2694634
   71   -0.0647829  -0.0414539  -0.0414450   0.0547123  -0.3486328

            31          32          33          34          35

   31  -12.0551082
   32    0.0000000 -12.0551082
   33    0.0000742  -0.0000742 -13.1046394
   34   -0.0001188   0.0000396   0.5645112 -12.8137204
   35   -0.0000396   0.0001188   0.5645112  -4.9827151 -12.8137204
   36   -0.0000604   0.0000604   1.9873042  -5.1046633  -5.1046633
   37    0.0000686  -0.0000686  -0.0000000   0.0000000   0.0000000
   38    0.9777937  -0.0000000  -0.0001046   0.0000449   0.0000149
   39   -0.0000000   0.9777937   0.0001046  -0.0000149  -0.0000449
   40   -0.0283478   0.0283478   0.0412378  -0.0003441  -0.0003441
   41   -0.2328593   0.2328593   0.3756011  -0.0537577  -0.0537577
   42    0.0137590  -0.0182542  -0.0263141   0.0000877   0.0001141
   43   -0.0182542   0.0137590   0.0263141  -0.0001141  -0.0000877
   44   -0.0244727   0.0244727   0.0306286  -0.0001570  -0.0001570
   45    0.1849591  -0.3223779  -0.5213160   0.0599844   0.0800530
   46   -0.3223779   0.1849591   0.5213160  -0.0800530  -0.0599844
   47   -0.4220437   0.4220437   0.5280016  -0.1097643  -0.1097643
   48    0.0283413   0.0283470   0.0412402  -0.0003440  -0.0003441
   49    0.2328038   0.2328562   0.3756249  -0.0537486  -0.0537566
   50    0.0137517   0.0182503   0.0263108  -0.0000877  -0.0001141
   51    0.0182501   0.0137587   0.0263157  -0.0001141  -0.0000877
   52    0.0244696   0.0244745   0.0306344  -0.0001570  -0.0001570
   53    0.1848279   0.3223164   0.5212590  -0.0599591  -0.0800365
   54    0.3223024   0.1849592   0.5213514  -0.0800383  -0.0599835
   55    0.4219886   0.4220813   0.5281182  -0.1097545  -0.1097728
   56    0.0283405  -0.0283405   0.0412426  -0.0003440  -0.0003440
   57    0.2328006  -0.2328006   0.3756483  -0.0537474  -0.0537474
   58    0.0137514  -0.0182462   0.0263125  -0.0000876  -0.0001140
   59   -0.0182462   0.0137514  -0.0263125   0.0001140   0.0000876
   60    0.0244713  -0.0244713   0.0306401  -0.0001570  -0.0001570
   61    0.1848282  -0.3222409   0.5212940  -0.0599583  -0.0800217
   62   -0.3222409   0.1848282  -0.5212940   0.0800217   0.0599583
   63    0.4220258  -0.4220258   0.5282338  -0.1097628  -0.1097628
   64   -0.0283470  -0.0283413   0.0412402  -0.0003441  -0.0003440
   65   -0.2328562  -0.2328038   0.3756249  -0.0537566  -0.0537486
   66    0.0137587   0.0182501  -0.0263157   0.0000877   0.0001141
   67    0.0182503   0.0137517  -0.0263108   0.0001141   0.0000877
   68   -0.0244745  -0.0244696   0.0306344  -0.0001570  -0.0001570
   69    0.1849592   0.3223024  -0.5213514   0.0599835   0.0800383
   70    0.3223164   0.1848279  -0.5212590   0.0800365   0.0599591
   71   -0.4220813  -0.4219886   0.5281182  -0.1097728  -0.1097545

            36          37          38          39          40

   36  -13.6841792
   37    0.0000000 -11.7481490
   38    0.0000616  -0.0000259 -12.1140692
   39   -0.0000616   0.0000259   0.0000000 -12.1140692
   40   -0.0006541   0.0004574   0.0006695  -0.0006695 -10.9920398
   41   -0.0841390   0.0317054   0.0499766  -0.0499766  -9.7899189
   42    0.0002209  -0.0001431  -0.0002072   0.0002401   0.5881079
   43   -0.0002209   0.0001431   0.0002401  -0.0002072  -0.5881079
   44   -0.0002626   0.0002285   0.0003062  -0.0003062  -0.2455770
   45    0.1299896  -0.0360519  -0.0566721   0.0838299   0.4897341
   46   -0.1299896   0.0360519   0.0838299  -0.0566721  -0.4897341
   47   -0.1433091   0.0733217   0.0963271  -0.0963271  -0.2044990
   48   -0.0006542  -0.0004573  -0.0006694  -0.0006696  -0.0012672
   49   -0.0841447  -0.0316980  -0.0499682  -0.0499800  -0.0785445
   50   -0.0002209  -0.0001430  -0.0002071  -0.0002401  -0.0011062
   51   -0.0002209  -0.0001431  -0.0002401  -0.0002072  -0.0000155
   52   -0.0002627  -0.0002284  -0.0003062  -0.0003063  -0.0000070
   53   -0.1299757  -0.0360300  -0.0566412  -0.0838201  -0.2117941
   54   -0.1300000  -0.0360439  -0.0838164  -0.0566765  -0.0034227
   55   -0.1433379  -0.0733121  -0.0963243  -0.0963464  -0.0015365
   56   -0.0006543   0.0004572  -0.0006695   0.0006695  -0.0000001
   57   -0.0841503   0.0316907  -0.0499716   0.0499716  -0.0006224
   58   -0.0002209   0.0001430  -0.0002071   0.0002401  -0.0000000
   59    0.0002209  -0.0001430   0.0002401  -0.0002071   0.0000000
   60   -0.0002627   0.0002284  -0.0003063   0.0003063   0.0000000
   61   -0.1299859   0.0360220  -0.0566457   0.0838066  -0.0011266
   62    0.1299859  -0.0360220   0.0838066  -0.0566457   0.0011266
   63   -0.1433664   0.0733025  -0.0963435   0.0963435  -0.0000162
   64   -0.0006542  -0.0004573   0.0006696   0.0006694  -0.0012672
   65   -0.0841447  -0.0316980   0.0499800   0.0499682  -0.0785445
   66    0.0002209   0.0001431  -0.0002072  -0.0002401   0.0000155
   67    0.0002209   0.0001430  -0.0002401  -0.0002071   0.0011062
   68   -0.0002627  -0.0002284   0.0003063   0.0003062  -0.0000070
   69    0.1300000   0.0360439  -0.0566765  -0.0838164   0.0034227
   70    0.1299757   0.0360300  -0.0838201  -0.0566412   0.2117941
   71   -0.1433379  -0.0733121   0.0963464   0.0963243  -0.0015365

            41          42          43          44          45

   41  -10.2556754
   42    0.5413405 -10.7146298
   43   -0.5413405   0.0867086 -10.7146298
   44   -0.2260483   0.0427630  -0.0427630 -10.6270112
   45    0.9112632  -6.9353306   0.0844394   0.0416441  -9.8640924
   46   -0.9112632   0.0844394  -6.9353306  -0.0416441   0.2896006
   47   -0.3805254   0.0416441  -0.0416441  -6.8500044   0.1432513
   48   -0.0785443   0.0011062  -0.0000155  -0.0000069   0.2117940
   49   -0.3903398   0.0876372  -0.0034784  -0.0015254   0.8367741
   50   -0.0876368   0.0008258  -0.0000085  -0.0000037   0.2399185
   51   -0.0034789   0.0000085  -0.0000337  -0.0000003   0.0093826
   52   -0.0015373   0.0000039  -0.0000003  -0.0000332   0.0041475
   53   -0.8367714   0.2399193  -0.0093810  -0.0041119   1.7074059
   54   -0.0454777   0.0030838  -0.0222690  -0.0002604   0.0979739
   55   -0.0205836   0.0013910  -0.0002613  -0.0217986   0.0443321
   56   -0.0006224   0.0000000  -0.0000000   0.0000000   0.0011266
   57   -0.0168818   0.0004682  -0.0004682  -0.0000130   0.0304709
   58   -0.0004682   0.0000000  -0.0000000   0.0000000   0.0008070
   59    0.0004682  -0.0000000   0.0000000  -0.0000000  -0.0008789
   60   -0.0000131  -0.0000000   0.0000000   0.0000000   0.0000230
   61   -0.0304707   0.0008070  -0.0008789  -0.0000228   0.0516536
   62    0.0304707  -0.0008789   0.0008070   0.0000228  -0.0588106
   63   -0.0015584   0.0000085  -0.0000085  -0.0000726   0.0028072
   64   -0.0785443   0.0000155  -0.0011062  -0.0000069   0.0034213
   65   -0.3903398   0.0034784  -0.0876372  -0.0015254   0.0454723
   66    0.0034789  -0.0000337   0.0000085   0.0000003  -0.0222689
   67    0.0876368  -0.0000085   0.0008258   0.0000037  -0.0030820
   68   -0.0015373   0.0000003  -0.0000039  -0.0000332   0.0002608
   69    0.0454777  -0.0222690   0.0030838   0.0002604  -0.2639699
   70    0.8367714  -0.0093810   0.2399193   0.0041119  -0.0979601
   71   -0.0205836   0.0002613  -0.0013910  -0.0217986   0.0100114

            46          47          48          49          50

   46   -9.8640924
   47   -0.1432513  -9.5704628
   48   -0.0034213  -0.0015076 -10.9920120
   49   -0.0454723  -0.0204697  -9.7898952 -10.2556476
   50   -0.0030820  -0.0013554  -0.5880703  -0.5413058 -10.7145903
   51   -0.0222689  -0.0002600  -0.5881030  -0.5413359  -0.0867017
   52   -0.0002608  -0.0217982  -0.2456538  -0.2261190  -0.0427741
   53   -0.0979601  -0.0440661  -0.4897028  -0.9112052  -6.9353015
   54   -0.2639699  -0.0099983  -0.4897301  -0.9112558  -0.0844327
   55   -0.0100114  -0.2467262  -0.2045630  -0.3806446  -0.0416549
   56   -0.0011266  -0.0000159  -0.0012670  -0.0785389  -0.0000155
   57   -0.0304709  -0.0015501  -0.0785390  -0.3903207  -0.0034779
   58   -0.0008789  -0.0000083  -0.0000155  -0.0034785  -0.0000337
   59    0.0008070   0.0000083   0.0011061   0.0876308   0.0000085
   60   -0.0000230  -0.0000726  -0.0000070  -0.0015376  -0.0000003
   61   -0.0588106  -0.0027912  -0.0034222  -0.0454727  -0.0222671
   62    0.0516536   0.0027912   0.2117797   0.8367339   0.0093796
   63   -0.0028072  -0.0073463  -0.0015367  -0.0205883  -0.0002613
   64   -0.2117940  -0.0015076  -0.0000001  -0.0006224  -0.0000000
   65   -0.8367741  -0.0204697  -0.0006224  -0.0168819  -0.0004682
   66    0.0093826   0.0002600   0.0000000   0.0004682   0.0000000
   67    0.2399185   0.0013554   0.0000000   0.0004682   0.0000000
   68   -0.0041475  -0.0217982   0.0000000  -0.0000131   0.0000000
   69    0.0979739   0.0099983   0.0011266   0.0304710   0.0008070
   70    1.7074059   0.0440661   0.0011266   0.0304708   0.0008789
   71   -0.0443321  -0.2467262  -0.0000161  -0.0015543  -0.0000084

            51          52          53          54          55

   51  -10.7146013
   52   -0.0427740 -10.6269957
   53   -0.0844327  -0.0416549  -9.8640260
   54   -6.9353122  -0.0416548  -0.2895779  -9.8640628
   55   -0.0416548  -6.8499987  -0.1432887  -0.1432883  -9.5704763
   56   -0.0011061  -0.0000069  -0.0034207  -0.2117796  -0.0015080
   57   -0.0876312  -0.0015257  -0.0454669  -0.8367367  -0.0204749
   58   -0.0000085  -0.0000003  -0.0222670  -0.0093814  -0.0002600
   59    0.0008256   0.0000037   0.0030815   0.2399025   0.0013558
   60   -0.0000039  -0.0000332  -0.0002608  -0.0041483  -0.0217965
   61   -0.0030834  -0.0002605  -0.2639531  -0.0979636  -0.0100001
   62    0.2399033   0.0041129   0.0979487   1.7073395   0.0440776
   63   -0.0013913  -0.0217969  -0.0100131  -0.0443424  -0.2467157
   64   -0.0000000   0.0000000  -0.0011266  -0.0011266  -0.0000161
   65   -0.0004682  -0.0000131  -0.0304708  -0.0304710  -0.0015543
   66    0.0000000  -0.0000000   0.0008070   0.0008789   0.0000084
   67    0.0000000  -0.0000000   0.0008789   0.0008070   0.0000084
   68    0.0000000   0.0000000  -0.0000229  -0.0000229  -0.0000726
   69    0.0008789   0.0000229   0.0516538   0.0588112   0.0027993
   70    0.0008070   0.0000229   0.0588104   0.0516538   0.0027992
   71   -0.0000084  -0.0000726  -0.0027992  -0.0027993  -0.0073463

            56          57          58          59          60

   56  -10.9919823
   57   -9.7898700 -10.2556181
   58   -0.5880652  -0.5413011 -10.7145599
   59    0.5880652   0.5413011   0.0866948 -10.7145599
   60   -0.2457301  -0.2261892  -0.0427850   0.0427850 -10.6269783
   61   -0.4896986  -0.9111975  -6.9352819   0.0844259  -0.0416655
   62    0.4896986   0.9111975   0.0844259  -6.9352819   0.0416655
   63   -0.2046264  -0.3807628  -0.0416655   0.0416655  -6.8499917
   64   -0.0012670  -0.0785390  -0.0011061   0.0000155  -0.0000070
   65   -0.0785389  -0.3903207  -0.0876308   0.0034785  -0.0015376
   66    0.0011061   0.0876312   0.0008256  -0.0000085   0.0000039
   67    0.0000155   0.0034779   0.0000085  -0.0000337   0.0000003
   68   -0.0000069  -0.0015257  -0.0000037   0.0000003  -0.0000332
   69    0.2117796   0.8367367   0.2399025  -0.0093814   0.0041483
   70    0.0034207   0.0454669   0.0030815  -0.0222670   0.0002608
   71   -0.0015080  -0.0204749  -0.0013558   0.0002600  -0.0217965

            61          62          63          64          65

   61   -9.8639946
   62    0.2895551  -9.8639946
   63   -0.1433253   0.1433253  -9.5704880
   64   -0.2117797   0.0034222  -0.0015367 -10.9920120
   65   -0.8367339   0.0454727  -0.0205883  -9.7898952 -10.2556476
   66    0.2399033  -0.0030834   0.0013913   0.5881030   0.5413359
   67    0.0093796  -0.0222671   0.0002613   0.5880703   0.5413058
   68   -0.0041129   0.0002605  -0.0217969  -0.2456538  -0.2261190
   69    1.7073395  -0.0979636   0.0443424   0.4897301   0.9112558
   70    0.0979487  -0.2639531   0.0100131   0.4897028   0.9112052
   71   -0.0440776   0.0100001  -0.2467157  -0.2045630  -0.3806446

            66          67          68          69          70

   66  -10.7146013
   67   -0.0867017 -10.7145903
   68    0.0427740   0.0427741 -10.6269957
   69   -6.9353122  -0.0844327   0.0416548  -9.8640628
   70   -0.0844327  -6.9353015   0.0416549  -0.2895779  -9.8640260
   71    0.0416548   0.0416549  -6.8499987   0.1432883   0.1432887

            71

   71   -9.5704763
 TIME TO DO      ECP INTEGRALS=      0.04
 ...... END OF ONE-ELECTRON INTEGRALS ......
 CPU     0: STEP CPU TIME=     0.04 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  54.55%

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

 INITIAL GUESS ORBITALS GENERATED BY HUCKEL   ROUTINE.
 HUCKEL GUESS REQUIRES     45807 WORDS.

 SYMMETRIES FOR INITIAL GUESS ORBITALS FOLLOW.   BOTH SET(S).
    26 ORBITALS ARE OCCUPIED (    5 CORE ORBITALS).
     6=A        7=A        8=A        9=A       10=A       11=A       12=A   
    13=A       14=A       15=A       16=A       17=A       18=A       19=A   
    20=A       21=A       22=A       23=A       24=A       25=A       26=A   
    27=A       28=A       29=A       30=A       31=A       32=A       33=A   
    34=A       35=A       36=A   
 ...... END OF INITIAL ORBITAL SELECTION ......
 CPU     0: STEP CPU TIME=     0.02 TOTAL CPU TIME=        0.1 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.1 SECONDS, CPU UTILIZATION IS  61.54%

                    ----------------------
                    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   90802 WORDS OF MEMORY.
 SCHWARZ INEQUALITY OVERHEAD:      2556 INTEGRALS, T=        0.00
 II,JST,KST,LST =  1  1  1  1 NREC =         1 INTLOC =    1
 II,JST,KST,LST =  2  1  1  1 NREC =         1 INTLOC =    1
 II,JST,KST,LST =  3  1  1  1 NREC =         1 INTLOC =    1
 II,JST,KST,LST =  4  1  1  1 NREC =         1 INTLOC =    1
 II,JST,KST,LST =  5  1  1  1 NREC =         1 INTLOC =    1
 II,JST,KST,LST =  6  1  1  1 NREC =         1 INTLOC =    1
 II,JST,KST,LST =  7  1  1  1 NREC =         1 INTLOC =  226
 II,JST,KST,LST =  8  1  1  1 NREC =         1 INTLOC = 1210
 II,JST,KST,LST =  9  1  1  1 NREC =         1 INTLOC = 1210
 II,JST,KST,LST = 10  1  1  1 NREC =         1 INTLOC = 4107
 II,JST,KST,LST = 11  1  1  1 NREC =         2 INTLOC = 3416
 II,JST,KST,LST = 12  1  1  1 NREC =         3 INTLOC = 1171
 II,JST,KST,LST = 13  1  1  1 NREC =         5 INTLOC = 7569
 II,JST,KST,LST = 14  1  1  1 NREC =         5 INTLOC = 7569
 II,JST,KST,LST = 15  1  1  1 NREC =         6 INTLOC = 1598
 II,JST,KST,LST = 16  1  1  1 NREC =         7 INTLOC = 5473
 II,JST,KST,LST = 17  1  1  1 NREC =        10 INTLOC = 8192
 II,JST,KST,LST = 18  1  1  1 NREC =        10 INTLOC =13116
 II,JST,KST,LST = 19  1  1  1 NREC =        12 INTLOC = 6590
 II,JST,KST,LST = 20  1  1  1 NREC =        14 INTLOC = 8448
 II,JST,KST,LST = 21  1  1  1 NREC =        16 INTLOC =14169
 II,JST,KST,LST = 22  1  1  1 NREC =        18 INTLOC = 5132
 II,JST,KST,LST = 23  1  1  1 NREC =        19 INTLOC = 9547
 II,JST,KST,LST = 24  1  1  1 NREC =        21 INTLOC =10468
 II,JST,KST,LST = 25  1  1  1 NREC =        25 INTLOC =12706
 II,JST,KST,LST = 26  1  1  1 NREC =        26 INTLOC = 1042
 II,JST,KST,LST = 27  1  1  1 NREC =        28 INTLOC = 7707
 II,JST,KST,LST = 28  1  1  1 NREC =        35 INTLOC = 8063
 SCHWARZ INEQUALITY TEST SKIPPED        6476 INTEGRAL BLOCKS.
 TOTAL NUMBER OF NONZERO TWO-ELECTRON INTEGRALS =             2874447
        194 INTEGRAL RECORDS WERE STORED ON DISK FILE  8.
  ...... END OF TWO-ELECTRON INTEGRALS .....
 CPU     0: STEP CPU TIME=     0.14 TOTAL CPU TIME=        0.2 (    0.0 MIN)
 TOTAL WALL CLOCK TIME=        0.3 SECONDS, CPU UTILIZATION IS  64.71%

          --------------------------
             R-B3LYP SCF CALCULATION
          --------------------------

     NUCLEAR ENERGY =       193.0846777663
     MAXIT =   30     NPUNCH=    2
     EXTRAP=T  DAMP=F  SHIFT=F  RSTRCT=F  DIIS=T  DEM=F  SOSCF=F
         DENSITY MATRIX CONVERGENCE THRESHOLD=  1.00E-05
     COARSE -> FINE DFT GRID SWITCH THRESHOLD=  3.00E-04 (SWITCH IN $DFT)
                   HF -> DFT SWITCH THRESHOLD=  5.00E-03 (SWOFF IN $DFT)
     MEMORY REQUIRED FOR RHF ITERS=    294375 WORDS.

 DFT CODE IS SWITCHING FROM THE FINE GRID NRAD= 96,  NLEB=  302
                      TO THE COARSE GRID NRAD0= 24, NLEB0=  110

     EXCHANGE FUNCTIONAL   =B88&HFX   
     CORRELATION FUNCTIONAL=LYP88&VWN5
     DFT THRESHOLD         =.230E-07
     GRID CHANGE THRESHOLD =.300E-03
 FOR AN EULER-MACLAURIN QUADRATURE USING  96 RADIAL POINTS:
 SMALLEST GAUSSIAN PRIMITIVE EXPONENT=        0.0247000000 OF TYPE -P-
 ON ATOM NUMBER   1 HAS RADIAL NORMALIZATION=  1.000000
  LARGEST GAUSSIAN PRIMITIVE EXPONENT=     5484.6717000000 OF TYPE -S-
 ON ATOM NUMBER   2 HAS RADIAL NORMALIZATION=  1.000000
 DFT IS SWITCHED OFF, PERFORMING PURE SCF UNTIL SWOFF THRESHOLD IS REACHED.

 ITER EX DEM     TOTAL ENERGY        E CHANGE  DENSITY CHANGE    DIIS ERROR
   1  0  0     -200.1054262328  -200.1054262328   0.321178932   0.693300709
          * * *   INITIATING DIIS PROCEDURE   * * *
   2  1  0     -200.6521420425    -0.5467158097   0.284192960   0.190105257
   3  2  0     -200.6330338893     0.0191081531   0.169825271   0.267527704
   4  3  0     -200.7715443981    -0.1385105087   0.021217808   0.017464827
   5  4  0     -200.7731658652    -0.0016214671   0.015027790   0.010857722
   6  5  0     -200.7735457592    -0.0003798940   0.013791431   0.003674894
   7  6  0     -200.7737029436    -0.0001571845   0.010137523   0.001909619
   8  7  0     -200.7737395901    -0.0000366465   0.001917762   0.000282985
 CONVERGED TO SWOFF, SO DFT CALCULATION IS NOW SWITCHED ON.
          * * *   INITIATING DIIS PROCEDURE   * * *
   9  8  0     -202.6347950096    -1.8610554195   0.234602519   0.066392407
  10  9  0     -202.5660061487     0.0687888609   0.170926894   0.174897412
  11 10  0     -202.6611875049    -0.0951813562   0.075382764   0.070997318
  12 11  0     -202.6663114871    -0.0051239822   0.029314407   0.044267673
  13 12  0     -202.6721856101    -0.0058741230   0.003012854   0.003944856
  14 13  0     -202.6722790133    -0.0000934031   0.001059543   0.000732088
  15 14  0     -202.6722813527    -0.0000023395   0.000153415   0.000073331
 DFT CODE IS SWITCHING BACK TO THE FINE GRID
          * * *   INITIATING DIIS PROCEDURE   * * *
  16 15  0     -202.6283950443     0.0438863084   0.035627859   0.019768749
  17 16  0     -202.6288070675    -0.0004120232   0.018242250   0.010736408
  18 17  0     -202.6282558517     0.0005512158   0.014836316   0.017807397
  19 18  0     -202.6290959031    -0.0008400514   0.000910101   0.000824557
  20 19  0     -202.6290973353    -0.0000014322   0.000604372   0.000444656
  21 20  0     -202.6290981932    -0.0000008579   0.000205656   0.000185191
  22 21  0     -202.6290983044    -0.0000001112   0.000048239   0.000020384
  23 22  0     -202.6290983070    -0.0000000026   0.000003746   0.000001448
  24 23  0     -202.6290983070    -0.0000000000   0.000000549   0.000000409

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       7.2 SECONDS (       0.3 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.1 SECONDS (       0.0 SEC/ITER)

 FINAL R-B3LYP ENERGY IS     -202.6290983070 AFTER  24 ITERATIONS
 DFT EXCHANGE + CORRELATION ENERGY =       -23.0447352403
 TOTAL ELECTRON NUMBER             =        51.9999104324

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

                      1          2          3          4          5
                  -18.8889    -2.2169    -1.2825    -1.2192    -1.2192
                     A          A          A          A          A   
    1  MO 1  S    0.000370   1.049629  -0.023475  -0.000000  -0.000000
    2  MO 1  S    0.000248   0.013576   0.005668  -0.000000   0.000001
    3  MO 1  S   -0.000035   0.003219   0.001659  -0.000000   0.000001
    4  MO 1  X    0.000000  -0.000000  -0.000069   0.684067   0.724293
    5  MO 1  Y   -0.000000   0.000000   0.000069   0.724293  -0.684067
    6  MO 1  Z   -0.000294   0.009275   0.968357  -0.000003   0.000101
    7  MO 1  X    0.000000   0.000000  -0.000000   0.000824   0.000873
    8  MO 1  Y   -0.000000  -0.000000   0.000000   0.000873  -0.000824
    9  MO 1  Z   -0.002443  -0.005385   0.003225  -0.000000   0.000000
   10  MO 1  X   -0.000000  -0.000000   0.000000   0.000244   0.000258
   11  MO 1  Y    0.000000   0.000000  -0.000000   0.000258  -0.000244
   12  MO 1  Z    0.000211   0.000853  -0.000010   0.000000   0.000000
   13  MO 1 XX   -0.000570  -0.029525  -0.008594   0.000000  -0.000000
   14  MO 1 YY   -0.000570  -0.029525  -0.008594  -0.000000  -0.000000
   15  MO 1 ZZ   -0.000084  -0.007105   0.017715   0.000000  -0.000000
   16  MO 1 XY    0.000000   0.000000  -0.000000   0.000000  -0.000000
   17  MO 1 XZ   -0.000000  -0.000002  -0.000002   0.000593   0.000628
   18  MO 1 YZ    0.000000   0.000002   0.000002   0.000628  -0.000593
   19  MO 1 XX    0.000270   0.004694  -0.001958   0.000000  -0.000000
   20  MO 1 YY    0.000270   0.004694  -0.001958  -0.000000  -0.000000
   21  MO 1 ZZ   -0.001830  -0.006023  -0.001828   0.000000  -0.000001
   22  MO 1 XY   -0.000000  -0.000000   0.000000  -0.000000  -0.000000
   23  MO 1 XZ    0.000000   0.000001   0.000000  -0.001298  -0.001375
   24  MO 1 YZ   -0.000000  -0.000001  -0.000000  -0.001375   0.001298
   25  O  2  S    0.992721  -0.006278  -0.034434  -0.000000  -0.000000
   26  O  2  S    0.025581   0.010541   0.078903   0.000000   0.000000
   27  O  2  X    0.000000   0.000001   0.000004   0.007907   0.008372
   28  O  2  Y   -0.000000  -0.000001  -0.000004   0.008372  -0.007907
   29  O  2  Z   -0.000451  -0.011586  -0.058361  -0.000000   0.000001
   30  O  2  S    0.013065   0.010808   0.027674   0.000000   0.000000
   31  O  2  X    0.000000   0.000000   0.000000   0.003531   0.003739
   32  O  2  Y   -0.000000  -0.000000  -0.000000   0.003739  -0.003531
   33  O  2  Z   -0.000371  -0.001711  -0.005315  -0.000000   0.000001
   34  O  2 XX   -0.008203  -0.001246   0.001075   0.000000   0.000000
   35  O  2 YY   -0.008203  -0.001246   0.001075  -0.000000   0.000000
   36  O  2 ZZ   -0.008242   0.002014   0.015316   0.000000  -0.000001
   37  O  2 XY    0.000000  -0.000000  -0.000000   0.000000  -0.000000
   38  O  2 XZ    0.000000  -0.000000  -0.000001  -0.002144  -0.002270
   39  O  2 YZ   -0.000000   0.000000   0.000001  -0.002271   0.002144
   40  CL 3  S    0.000027   0.000917  -0.002451  -0.000255   0.008921
   41  CL 3  S   -0.000273  -0.001958  -0.000491  -0.000133   0.004664
   42  CL 3  X   -0.000016  -0.000450   0.001863   0.000553  -0.005530
   43  CL 3  Y    0.000016   0.000450  -0.001863   0.000236   0.005553
   44  CL 3  Z   -0.000053   0.000189   0.000041  -0.000071   0.002493
   45  CL 3  X    0.000134  -0.000174   0.000068   0.000884  -0.001799
   46  CL 3  Y   -0.000134   0.000174  -0.000068   0.000780   0.001846
   47  CL 3  Z    0.000122  -0.000119   0.000770  -0.000042   0.001471
   48  CL 4  S    0.000027   0.000917  -0.002451  -0.008921  -0.000255
   49  CL 4  S   -0.000272  -0.001958  -0.000491  -0.004664  -0.000133
   50  CL 4  X    0.000016   0.000450  -0.001863  -0.005552   0.000236
   51  CL 4  Y    0.000016   0.000450  -0.001863  -0.005530  -0.000553
   52  CL 4  Z   -0.000053   0.000189   0.000041  -0.002494  -0.000071
   53  CL 4  X   -0.000134   0.000174  -0.000068  -0.001846   0.000780
   54  CL 4  Y   -0.000134   0.000174  -0.000068  -0.001799  -0.000884
   55  CL 4  Z    0.000122  -0.000119   0.000770  -0.001472  -0.000042
   56  CL 5  S    0.000027   0.000917  -0.002451   0.000255  -0.008920
   57  CL 5  S   -0.000272  -0.001958  -0.000491   0.000133  -0.004664
   58  CL 5  X    0.000016   0.000450  -0.001863   0.000552  -0.005529
   59  CL 5  Y   -0.000016  -0.000450   0.001863   0.000236   0.005552
   60  CL 5  Z   -0.000053   0.000189   0.000041   0.000071  -0.002495
   61  CL 5  X   -0.000134   0.000174  -0.000068   0.000884  -0.001798
   62  CL 5  Y    0.000134  -0.000174   0.000068   0.000780   0.001846
   63  CL 5  Z    0.000122  -0.000119   0.000770   0.000042  -0.001472
   64  CL 6  S    0.000027   0.000917  -0.002451   0.008921   0.000255
   65  CL 6  S   -0.000272  -0.001958  -0.000491   0.004664   0.000133
   66  CL 6  X   -0.000016  -0.000450   0.001863  -0.005552   0.000236
   67  CL 6  Y   -0.000016  -0.000450   0.001863  -0.005529  -0.000552
   68  CL 6  Z   -0.000053   0.000189   0.000041   0.002494   0.000071
   69  CL 6  X    0.000134  -0.000174   0.000068  -0.001846   0.000780
   70  CL 6  Y    0.000134  -0.000174   0.000068  -0.001798  -0.000884
   71  CL 6  Z    0.000122  -0.000119   0.000770   0.001472   0.000042

                      6          7          8          9         10
                   -0.6190    -0.4455    -0.4342    -0.4342    -0.4319
                     A          A          A          A          A   
    1  MO 1  S   -0.054396  -0.040325   0.000000   0.000004   0.000000
    2  MO 1  S    0.082269   0.050389  -0.000001  -0.000005   0.000001
    3  MO 1  S    0.022896   0.046405  -0.000000  -0.000006   0.000001
    4  MO 1  X    0.000020  -0.000012  -0.057300  -0.057247   0.000026
    5  MO 1  Y   -0.000020   0.000011  -0.057247   0.057300  -0.000031
    6  MO 1  Z   -0.285491   0.041016  -0.000000  -0.000012   0.000000
    7  MO 1  X    0.000002   0.000007   0.033596   0.033568  -0.000019
    8  MO 1  Y   -0.000002  -0.000008   0.033568  -0.033596   0.000019
    9  MO 1  Z   -0.021225  -0.030222  -0.000001   0.000010   0.000002
   10  MO 1  X   -0.000001   0.000000   0.002907   0.002904  -0.000001
   11  MO 1  Y    0.000001  -0.000000   0.002904  -0.002907   0.000002
   12  MO 1  Z    0.011908   0.001809   0.000000  -0.000000  -0.000000
   13  MO 1 XX   -0.069014   0.029438   0.000002  -0.000000   0.000000
   14  MO 1 YY   -0.069014   0.029438  -0.000003  -0.000000   0.000000
   15  MO 1 ZZ    0.123704  -0.025919   0.000000  -0.000002  -0.000000
   16  MO 1 XY   -0.000000   0.000001   0.000003  -0.000039  -0.066616
   17  MO 1 XZ   -0.000016   0.000001  -0.021424  -0.021404   0.000014
   18  MO 1 YZ    0.000016  -0.000001  -0.021404   0.021424  -0.000016
   19  MO 1 XX   -0.010393   0.008917   0.000003  -0.000002  -0.000002
   20  MO 1 YY   -0.010393   0.008917  -0.000001  -0.000002  -0.000002
   21  MO 1 ZZ   -0.035273  -0.023201  -0.000001   0.000000   0.000001
   22  MO 1 XY   -0.000000  -0.000002  -0.000000  -0.000025  -0.040368
   23  MO 1 XZ    0.000002   0.000000  -0.014225  -0.014213   0.000011
   24  MO 1 YZ   -0.000002   0.000000  -0.014213   0.014225  -0.000011
   25  O  2  S   -0.227524   0.005580  -0.000000  -0.000000   0.000000
   26  O  2  S    0.501842  -0.014780  -0.000000   0.000002   0.000000
   27  O  2  X    0.000004  -0.000000  -0.002094  -0.002092   0.000001
   28  O  2  Y   -0.000004   0.000000  -0.002092   0.002094  -0.000001
   29  O  2  Z   -0.056681  -0.000519  -0.000000  -0.000000   0.000000
   30  O  2  S    0.566603  -0.001414   0.000001  -0.000002  -0.000002
   31  O  2  X    0.000003  -0.000000  -0.000359  -0.000359   0.000000
   32  O  2  Y   -0.000003   0.000000  -0.000359   0.000359  -0.000000
   33  O  2  Z   -0.043680   0.003633  -0.000000  -0.000000   0.000000
   34  O  2 XX   -0.008798   0.000435  -0.000000   0.000000   0.000000
   35  O  2 YY   -0.008798   0.000435  -0.000000   0.000000   0.000000
   36  O  2 ZZ    0.015494  -0.001761  -0.000000   0.000000   0.000000
   37  O  2 XY    0.000000   0.000000   0.000000   0.000000   0.000358
   38  O  2 XZ   -0.000002   0.000000   0.000099   0.000099  -0.000000
   39  O  2 YZ    0.000002  -0.000000   0.000099  -0.000099   0.000000
   40  CL 3  S    0.005144   0.291514   0.000180   0.421094   0.299052
   41  CL 3  S    0.002125   0.196942   0.000123   0.287246   0.205332
   42  CL 3  X   -0.001220  -0.013830   0.004301  -0.013803  -0.009975
   43  CL 3  Y    0.001220   0.013830   0.004312   0.013799   0.009976
   44  CL 3  Z   -0.000273   0.004952   0.000002   0.004526   0.006081
   45  CL 3  X   -0.000229  -0.004127  -0.002551  -0.003041  -0.000824
   46  CL 3  Y    0.000229   0.004128  -0.002548   0.003043   0.000824
   47  CL 3  Z   -0.000900   0.001733   0.000001   0.003400  -0.001755
   48  CL 4  S    0.005144   0.291462  -0.420964   0.000001  -0.299287
   49  CL 4  S    0.002125   0.196908  -0.287156   0.000003  -0.205489
   50  CL 4  X    0.001220   0.013827  -0.013794   0.004306  -0.009985
   51  CL 4  Y    0.001220   0.013827  -0.013799  -0.004307  -0.009981
   52  CL 4  Z   -0.000273   0.004953  -0.004525  -0.000001  -0.006085
   53  CL 4  X    0.000229   0.004127  -0.003042  -0.002548  -0.000822
   54  CL 4  Y    0.000229   0.004128  -0.003040   0.002551  -0.000825
   55  CL 4  Z   -0.000900   0.001734  -0.003401   0.000003   0.001753
   56  CL 5  S    0.005143   0.291407  -0.000211  -0.420855   0.299495
   57  CL 5  S    0.002125   0.196870  -0.000147  -0.287080   0.205632
   58  CL 5  X    0.001220   0.013824   0.004299  -0.013794   0.009989
   59  CL 5  Y   -0.001220  -0.013825   0.004313   0.013791  -0.009989
   60  CL 5  Z   -0.000273   0.004955  -0.000002  -0.004524   0.006088
   61  CL 5  X    0.000229   0.004126  -0.002552  -0.003039   0.000825
   62  CL 5  Y   -0.000229  -0.004126  -0.002547   0.003041  -0.000825
   63  CL 5  Z   -0.000900   0.001733  -0.000002  -0.003402  -0.001751
   64  CL 6  S    0.005144   0.291469   0.420985  -0.000391  -0.299251
   65  CL 6  S    0.002125   0.196914   0.287170  -0.000266  -0.205463
   66  CL 6  X   -0.001220  -0.013827  -0.013795   0.004320   0.009980
   67  CL 6  Y   -0.001220  -0.013828  -0.013799  -0.004293   0.009984
   68  CL 6  Z   -0.000273   0.004953   0.004525  -0.000005  -0.006084
   69  CL 6  X   -0.000229  -0.004129  -0.003042  -0.002547   0.000824
   70  CL 6  Y   -0.000229  -0.004127  -0.003040   0.002552   0.000821
   71  CL 6  Z   -0.000900   0.001734   0.003401  -0.000001   0.001754

                     11         12         13         14         15
                   -0.1023    -0.0815    -0.0815    -0.0438    -0.0286
                     A          A          A          A          A   
    1  MO 1  S    0.100192   0.000000  -0.000003   0.205931   0.000001
    2  MO 1  S   -0.048810   0.000000   0.000001  -0.098456  -0.000001
    3  MO 1  S    0.104870   0.000000  -0.000001   0.032933  -0.000000
    4  MO 1  X   -0.000012  -0.044475   0.044330   0.000009   0.000010
    5  MO 1  Y    0.000012  -0.044330  -0.044475  -0.000008  -0.000011
    6  MO 1  Z    0.156726  -0.000000   0.000009  -0.028832  -0.000000
    7  MO 1  X   -0.000005   0.033853  -0.033742  -0.000009  -0.000008
    8  MO 1  Y    0.000005   0.033742   0.033852   0.000010   0.000009
    9  MO 1  Z    0.067660   0.000000  -0.000007   0.059032  -0.000000
   10  MO 1  X   -0.000002   0.021250  -0.021181   0.000003   0.000003
   11  MO 1  Y    0.000002   0.021181   0.021250  -0.000003  -0.000003
   12  MO 1  Z    0.036950  -0.000000  -0.000002  -0.023068   0.000000
   13  MO 1 XX    0.194046  -0.000033   0.000035  -0.123735  -0.000000
   14  MO 1 YY    0.194046   0.000033   0.000035  -0.123735  -0.000001
   15  MO 1 ZZ   -0.473956   0.000000  -0.000067   0.012402   0.000000
   16  MO 1 XY    0.000000  -0.000000  -0.000041  -0.000002   0.359972
   17  MO 1 XZ    0.000056   0.268147  -0.267273  -0.000012  -0.000022
   18  MO 1 YZ   -0.000055   0.267274   0.268147   0.000012   0.000022
   19  MO 1 XX   -0.024241  -0.000009   0.000009  -0.066309   0.000001
   20  MO 1 YY   -0.024241   0.000008   0.000009  -0.066309   0.000000
   21  MO 1 ZZ   -0.046422   0.000000  -0.000016  -0.042631  -0.000000
   22  MO 1 XY    0.000000  -0.000000  -0.000009   0.000000   0.090405
   23  MO 1 XZ    0.000003   0.069571  -0.069345  -0.000003  -0.000006
   24  MO 1 YZ   -0.000003   0.069345   0.069571   0.000002   0.000006
   25  O  2  S   -0.038605   0.000000  -0.000000  -0.009119  -0.000000
   26  O  2  S    0.076140   0.000000   0.000000   0.025197   0.000000
   27  O  2  X   -0.000038   0.370606  -0.369398  -0.000017  -0.000010
   28  O  2  Y    0.000038   0.369398   0.370606   0.000016   0.000011
   29  O  2  Z    0.556282  -0.000000  -0.000050   0.089973   0.000000
   30  O  2  S    0.165374  -0.000000   0.000001   0.024195   0.000001
   31  O  2  X   -0.000023   0.246439  -0.245636  -0.000012  -0.000008
   32  O  2  Y    0.000023   0.245636   0.246440   0.000012   0.000008
   33  O  2  Z    0.334551  -0.000000  -0.000033   0.063804   0.000000
   34  O  2 XX    0.001463   0.000003  -0.000003  -0.000117  -0.000000
   35  O  2 YY    0.001463  -0.000003  -0.000003  -0.000117  -0.000000
   36  O  2 ZZ   -0.037097   0.000000   0.000005  -0.001502  -0.000000
   37  O  2 XY    0.000000  -0.000000   0.000003  -0.000000   0.003536
   38  O  2 XZ    0.000003  -0.021058   0.020990   0.000001   0.000000
   39  O  2 YZ   -0.000003  -0.020990  -0.021058  -0.000001  -0.000000
   40  CL 3  S   -0.008112   0.000020  -0.012269   0.049795   0.030169
   41  CL 3  S   -0.004665   0.000010  -0.005893   0.059927   0.049208
   42  CL 3  X   -0.010611  -0.008504  -0.049004   0.152366   0.142798
   43  CL 3  Y    0.010611  -0.008664   0.048976  -0.152366  -0.142798
   44  CL 3  Z    0.033536   0.000076  -0.046391  -0.051397  -0.096968
   45  CL 3  X   -0.016216  -0.012839  -0.045583   0.165021   0.152961
   46  CL 3  Y    0.016216  -0.012988   0.045541  -0.165021  -0.152960
   47  CL 3  Z    0.028893   0.000073  -0.044903  -0.057342  -0.100462
   48  CL 4  S   -0.008112  -0.012267  -0.000021   0.049794  -0.030165
   49  CL 4  S   -0.004666  -0.005891  -0.000010   0.059923  -0.049203
   50  CL 4  X    0.010607   0.048978   0.008664  -0.152354   0.142762
   51  CL 4  Y    0.010612   0.048998  -0.008502  -0.152357   0.142784
   52  CL 4  Z    0.033536  -0.046383  -0.000075  -0.051414   0.096977
   53  CL 4  X    0.016213   0.045543   0.012987  -0.165008   0.152922
   54  CL 4  Y    0.016217   0.045578  -0.012837  -0.165012   0.152944
   55  CL 4  Z    0.028893  -0.044897  -0.000071  -0.057361   0.100472
   56  CL 5  S   -0.008112  -0.000020   0.012265   0.049791   0.030163
   57  CL 5  S   -0.004666  -0.000009   0.005889   0.059919   0.049198
   58  CL 5  X    0.010607  -0.008502  -0.049000  -0.152343  -0.142754
   59  CL 5  Y   -0.010607  -0.008662   0.048972   0.152343   0.142754
   60  CL 5  Z    0.033536  -0.000076   0.046376  -0.051429  -0.096988
   61  CL 5  X    0.016213  -0.012837  -0.045580  -0.164997  -0.152914
   62  CL 5  Y   -0.016213  -0.012986   0.045538   0.164996   0.152914
   63  CL 5  Z    0.028894  -0.000073   0.044891  -0.057378  -0.100484
   64  CL 6  S   -0.008112   0.012267   0.000019   0.049794  -0.030165
   65  CL 6  S   -0.004666   0.005891   0.000009   0.059922  -0.049203
   66  CL 6  X   -0.010612   0.048971   0.008662   0.152359  -0.142786
   67  CL 6  Y   -0.010607   0.049006  -0.008504   0.152355  -0.142764
   68  CL 6  Z    0.033536   0.046383   0.000077  -0.051415   0.096978
   69  CL 6  X   -0.016217   0.045536   0.012986   0.165014  -0.152946
   70  CL 6  Y   -0.016213   0.045586  -0.012839   0.165010  -0.152924
   71  CL 6  Z    0.028893   0.044897   0.000075  -0.057362   0.100473

                     16         17         18         19         20
                   -0.0197    -0.0129    -0.0129     0.0034     0.0199
                     A          A          A          A          A   
    1  MO 1  S   -0.000000  -0.000000  -0.000009  -0.035482   0.000000
    2  MO 1  S   -0.000000   0.000001   0.000001   0.014400  -0.000000
    3  MO 1  S   -0.000000   0.000000  -0.000002  -0.051897   0.000000
    4  MO 1  X   -0.000015   0.116367   0.114934   0.000005  -0.017858
    5  MO 1  Y   -0.000014   0.114934  -0.116366  -0.000006  -0.017878
    6  MO 1  Z    0.000000   0.000000   0.000014  -0.110434   0.000001
    7  MO 1  X    0.000017  -0.123138  -0.121623  -0.000002   0.004055
    8  MO 1  Y    0.000014  -0.121623   0.123139   0.000003   0.004059
    9  MO 1  Z   -0.000000   0.000001  -0.000020   0.053764  -0.000000
   10  MO 1  X   -0.000003   0.038033   0.037565  -0.000007  -0.014390
   11  MO 1  Y   -0.000003   0.037565  -0.038033   0.000007  -0.014407
   12  MO 1  Z    0.000000  -0.000000   0.000007   0.083086  -0.000000
   13  MO 1 XX    0.271687   0.000027  -0.000000   0.018900   0.000003
   14  MO 1 YY   -0.271687  -0.000027  -0.000004   0.018900  -0.000003
   15  MO 1 ZZ    0.000000  -0.000000   0.000015  -0.009638   0.000000
   16  MO 1 XY   -0.000001   0.000002  -0.000015  -0.000000  -0.000001
   17  MO 1 XZ    0.000015   0.061444   0.060688  -0.000000  -0.010364
   18  MO 1 YZ    0.000016   0.060688  -0.061444  -0.000000  -0.010376
   19  MO 1 XX    0.104392   0.000009   0.000004   0.064362  -0.000004
   20  MO 1 YY   -0.104392  -0.000011   0.000002   0.064362   0.000003
   21  MO 1 ZZ    0.000000   0.000000   0.000007  -0.049820   0.000000
   22  MO 1 XY    0.000001   0.000000  -0.000004   0.000000   0.000000
   23  MO 1 XZ    0.000005   0.025038   0.024731   0.000011   0.034074
   24  MO 1 YZ    0.000006   0.024731  -0.025039  -0.000011   0.034112
   25  O  2  S   -0.000000   0.000000   0.000000   0.006545  -0.000000
   26  O  2  S   -0.000000   0.000000  -0.000001  -0.019884   0.000000
   27  O  2  X    0.000016  -0.112250  -0.110867  -0.000000  -0.099852
   28  O  2  Y    0.000014  -0.110868   0.112250  -0.000001  -0.099965
   29  O  2  Z    0.000000  -0.000000  -0.000021  -0.125814   0.000001
   30  O  2  S    0.000000  -0.000001   0.000001  -0.003660   0.000000
   31  O  2  X    0.000012  -0.085638  -0.084583   0.000000  -0.082185
   32  O  2  Y    0.000011  -0.084583   0.085637  -0.000001  -0.082278
   33  O  2  Z    0.000000  -0.000000  -0.000016  -0.112215   0.000001
   34  O  2 XX    0.002206  -0.000000  -0.000001  -0.000797  -0.000001
   35  O  2 YY   -0.002206   0.000000  -0.000001  -0.000797   0.000001
   36  O  2 ZZ   -0.000000   0.000000   0.000001   0.005364  -0.000000
   37  O  2 XY   -0.000000   0.000000   0.000000  -0.000000   0.000000
   38  O  2 XZ   -0.000001   0.004782   0.004723  -0.000000   0.004894
   39  O  2 YZ   -0.000000   0.004723  -0.004782   0.000000   0.004900
   40  CL 3  S   -0.000000   0.000239   0.038519   0.002713  -0.000001
   41  CL 3  S   -0.000001   0.000438   0.070648  -0.000678  -0.000007
   42  CL 3  X    0.151961  -0.097527   0.209754   0.043692  -0.043900
   43  CL 3  Y    0.151964  -0.100118  -0.208528  -0.043692  -0.043899
   44  CL 3  Z    0.000000  -0.000267  -0.043003   0.228212  -0.000199
   45  CL 3  X    0.165553  -0.100050   0.224748   0.058634  -0.048594
   46  CL 3  Y    0.165557  -0.102827  -0.223489  -0.058634  -0.048600
   47  CL 3  Z    0.000001  -0.000272  -0.043890   0.247046  -0.000230
   48  CL 4  S    0.000006  -0.038522   0.000239   0.002714  -0.001659
   49  CL 4  S    0.000009  -0.070653   0.000438  -0.000678  -0.012231
   50  CL 4  X   -0.151967   0.208519  -0.100142  -0.043725  -0.000768
   51  CL 4  Y    0.151920   0.209790   0.097542  -0.043694  -0.000861
   52  CL 4  Z   -0.000025   0.043045  -0.000284   0.228181  -0.346077
   53  CL 4  X   -0.165561   0.223479  -0.102853  -0.058671  -0.008137
   54  CL 4  Y    0.165511   0.224787   0.100066  -0.058638  -0.008243
   55  CL 4  Z   -0.000027   0.043935  -0.000291   0.247009  -0.399511
   56  CL 5  S    0.000000  -0.000239  -0.038525   0.002714   0.000001
   57  CL 5  S    0.000001  -0.000437  -0.070660  -0.000678   0.000007
   58  CL 5  X   -0.151927  -0.097562   0.209777  -0.043725  -0.043898
   59  CL 5  Y   -0.151924  -0.100153  -0.208554   0.043725  -0.043901
   60  CL 5  Z   -0.000000   0.000266   0.043085   0.228151   0.000192
   61  CL 5  X   -0.165519  -0.100088   0.224771  -0.058672  -0.048591
   62  CL 5  Y   -0.165517  -0.102866  -0.223516   0.058672  -0.048603
   63  CL 5  Z    0.000000   0.000272   0.043977   0.246974   0.000222
   64  CL 6  S   -0.000006   0.038521  -0.000238   0.002714   0.001659
   65  CL 6  S   -0.000010   0.070653  -0.000437  -0.000678   0.012230
   66  CL 6  X    0.151923   0.208564  -0.100132   0.043694  -0.000810
   67  CL 6  Y   -0.151969   0.209741   0.097548   0.043725  -0.000816
   68  CL 6  Z    0.000025  -0.043044   0.000249   0.228185   0.346079
   69  CL 6  X    0.165514   0.223527  -0.102842   0.058638  -0.008186
   70  CL 6  Y   -0.165562   0.224733   0.100074   0.058671  -0.008191
   71  CL 6  Z    0.000027  -0.043933   0.000254   0.247013   0.399513

                     21         22         23         24         25
                    0.0199     0.0286     0.0319     0.0319     0.0501
                     A          A          A          A          A   
    1  MO 1  S    0.000003  -0.000000   0.000000  -0.000000  -0.000000
    2  MO 1  S   -0.000000  -0.000000   0.000000   0.000000  -0.000000
    3  MO 1  S    0.000003   0.000000  -0.000002  -0.000000  -0.000001
    4  MO 1  X   -0.017878   0.000003  -0.024300   0.024769   0.000000
    5  MO 1  Y    0.017858  -0.000004   0.024769   0.024300   0.000000
    6  MO 1  Z    0.000003  -0.000000  -0.000003   0.000000   0.000000
    7  MO 1  X    0.004060  -0.000000   0.023008  -0.023453   0.000002
    8  MO 1  Y   -0.004055   0.000001  -0.023452  -0.023009  -0.000000
    9  MO 1  Z   -0.000002  -0.000001   0.000006   0.000002   0.000002
   10  MO 1  X   -0.014408   0.000007  -0.085937   0.087597   0.000002
   11  MO 1  Y    0.014391  -0.000009   0.087597   0.085936   0.000003
   12  MO 1  Z   -0.000010   0.000000  -0.000011  -0.000000  -0.000000
   13  MO 1 XX   -0.000001   0.000000   0.000003  -0.000005  -0.000000
   14  MO 1 YY   -0.000001  -0.000000   0.000002   0.000006   0.000001
   15  MO 1 ZZ   -0.000001  -0.000000  -0.000005   0.000000   0.000000
   16  MO 1 XY    0.000004   0.023914   0.000000   0.000001  -0.000000
   17  MO 1 XZ   -0.010376   0.000001  -0.022853   0.023294   0.000000
   18  MO 1 YZ    0.010364  -0.000001   0.023294   0.022853   0.000000
   19  MO 1 XX   -0.000009   0.000001  -0.000001  -0.000004  -0.000002
   20  MO 1 YY   -0.000009   0.000001  -0.000002   0.000001  -0.000001
   21  MO 1 ZZ    0.000011  -0.000001  -0.000000   0.000001   0.000001
   22  MO 1 XY    0.000003  -0.038498  -0.000002  -0.000001  -0.000000
   23  MO 1 XZ    0.034112  -0.000000  -0.005442   0.005547  -0.000001
   24  MO 1 YZ   -0.034074   0.000001   0.005546   0.005442  -0.000000
   25  O  2  S   -0.000000  -0.000000   0.000000   0.000000   0.000000
   26  O  2  S    0.000001  -0.000000   0.000000   0.000000   0.000000
   27  O  2  X   -0.099965   0.000002   0.053387  -0.054417  -0.000000
   28  O  2  Y    0.099852  -0.000003  -0.054418  -0.053386  -0.000001
   29  O  2  Z   -0.000008  -0.000000   0.000007  -0.000000  -0.000000
   30  O  2  S    0.000000   0.000001  -0.000002  -0.000002  -0.000002
   31  O  2  X   -0.082278   0.000002   0.044218  -0.045072  -0.000000
   32  O  2  Y    0.082185  -0.000003  -0.045072  -0.044217  -0.000001
   33  O  2  Z   -0.000006  -0.000000   0.000006   0.000000   0.000000
   34  O  2 XX   -0.000001  -0.000000   0.000000  -0.000000   0.000000
   35  O  2 YY   -0.000001  -0.000000   0.000000   0.000000   0.000000
   36  O  2 ZZ    0.000001  -0.000000  -0.000000   0.000000   0.000000
   37  O  2 XY    0.000001  -0.001107  -0.000000   0.000000  -0.000000
   38  O  2 XZ    0.004900  -0.000000  -0.002161   0.002203   0.000000
   39  O  2 YZ   -0.004894   0.000000   0.002203   0.002161   0.000000
   40  CL 3  S    0.001659  -0.004910   0.018288  -0.000175   0.000000
   41  CL 3  S    0.012231  -0.014415   0.028892  -0.000276   0.000000
   42  CL 3  X   -0.000855   0.079591  -0.107793   0.231003  -0.192021
   43  CL 3  Y    0.000806  -0.079596   0.112195   0.228897  -0.192020
   44  CL 3  Z    0.346081   0.233385  -0.050356   0.000484  -0.000000
   45  CL 3  X   -0.008236   0.100632  -0.118172   0.260857  -0.212958
   46  CL 3  Y    0.008181  -0.100637   0.123144   0.258547  -0.212957
   47  CL 3  Z    0.399515   0.263946  -0.055690   0.000535   0.000000
   48  CL 4  S   -0.000001   0.004908   0.000176   0.018288   0.000001
   49  CL 4  S   -0.000006   0.014409   0.000279   0.028891   0.000003
   50  CL 4  X   -0.043889   0.079640  -0.228889   0.112220  -0.192028
   51  CL 4  Y    0.043912   0.079560   0.231007   0.107794   0.192029
   52  CL 4  Z   -0.000238  -0.233402  -0.000530  -0.050362  -0.000026
   53  CL 4  X   -0.048588   0.100687  -0.258536   0.123172  -0.212965
   54  CL 4  Y    0.048608   0.100596   0.260862   0.118174   0.212968
   55  CL 4  Z   -0.000273  -0.263966  -0.000588  -0.055697  -0.000029
   56  CL 5  S   -0.001659  -0.004906  -0.018287   0.000175  -0.000000
   57  CL 5  S   -0.012231  -0.014406  -0.028889   0.000277   0.000001
   58  CL 5  X   -0.000825  -0.079612  -0.107821   0.231001   0.192033
   59  CL 5  Y    0.000774   0.079607   0.112219   0.228896   0.192034
   60  CL 5  Z   -0.346074   0.233418   0.050368  -0.000480   0.000000
   61  CL 5  X   -0.008200  -0.100655  -0.118204   0.260855   0.212973
   62  CL 5  Y    0.008145   0.100649   0.123170   0.258546   0.212972
   63  CL 5  Z   -0.399509   0.263983   0.055705  -0.000531   0.000000
   64  CL 6  S    0.000001   0.004908  -0.000174  -0.018288  -0.000000
   65  CL 6  S    0.000008   0.014410  -0.000275  -0.028888  -0.000001
   66  CL 6  X   -0.043913  -0.079562  -0.228904   0.112193   0.192026
   67  CL 6  Y    0.043888  -0.079642   0.230996   0.107818  -0.192025
   68  CL 6  Z    0.000153  -0.233397   0.000434   0.050359   0.000026
   69  CL 6  X   -0.048618  -0.100598  -0.258555   0.123140   0.212963
   70  CL 6  Y    0.048579  -0.100688   0.260847   0.118199  -0.212963
   71  CL 6  Z    0.000179  -0.263960   0.000478   0.055694   0.000029

                     26         27         28         29         30
                    0.1237     0.2397     0.2397     0.2638     0.2691
                     A          A          A          A          A   
    1  MO 1  S   -0.000000   0.000001  -0.000002   0.166298  -0.000000
    2  MO 1  S   -0.000000  -0.000000   0.000003   0.051689  -0.000000
    3  MO 1  S   -0.000000  -0.000001   0.000006   0.243879  -0.000001
    4  MO 1  X   -0.000000   0.006494   0.010049  -0.000008  -0.000002
    5  MO 1  Y   -0.000000   0.010049  -0.006494   0.000008   0.000002
    6  MO 1  Z   -0.000000  -0.000001   0.000003   0.116556   0.000000
    7  MO 1  X    0.000002   0.011722   0.018140   0.000052   0.000010
    8  MO 1  Y    0.000003   0.018140  -0.011723  -0.000050  -0.000012
    9  MO 1  Z   -0.000000  -0.000000   0.000004  -0.666275   0.000002
   10  MO 1  X   -0.000002  -0.173059  -0.267791  -0.000091  -0.000028
   11  MO 1  Y   -0.000002  -0.267794   0.173057   0.000087   0.000033
   12  MO 1  Z    0.000000   0.000007  -0.000036   1.203436  -0.000001
   13  MO 1 XX    0.716807  -0.000055  -0.000083  -0.266485   0.000001
   14  MO 1 YY   -0.716807   0.000084  -0.000052  -0.266485  -0.000000
   15  MO 1 ZZ    0.000000  -0.000030   0.000138   0.323485   0.000000
   16  MO 1 XY   -0.000000  -0.000012   0.000054   0.000000   0.854846
   17  MO 1 XZ    0.000058   0.446202   0.690467  -0.000046  -0.000043
   18  MO 1 YZ    0.000058   0.690467  -0.446203   0.000046   0.000045
   19  MO 1 XX    0.213352  -0.000017  -0.000025  -0.143524  -0.000001
   20  MO 1 YY   -0.213352   0.000026  -0.000016  -0.143524  -0.000001
   21  MO 1 ZZ    0.000000  -0.000010   0.000044   0.017067   0.000001
   22  MO 1 XY   -0.000001  -0.000004   0.000012   0.000000   0.381299
   23  MO 1 XZ    0.000017   0.133827   0.207087  -0.000014  -0.000021
   24  MO 1 YZ    0.000016   0.207087  -0.133826   0.000013   0.000022
   25  O  2  S   -0.000000  -0.000000   0.000000   0.026006   0.000000
   26  O  2  S    0.000000   0.000000   0.000000  -0.076731   0.000000
   27  O  2  X   -0.000000  -0.173045  -0.267775  -0.000008  -0.000005
   28  O  2  Y   -0.000000  -0.267775   0.173045   0.000008   0.000005
   29  O  2  Z    0.000000   0.000007  -0.000031   0.102550  -0.000000
   30  O  2  S    0.000000   0.000001  -0.000004  -0.087184  -0.000001
   31  O  2  X   -0.000000  -0.170389  -0.263665  -0.000008  -0.000006
   32  O  2  Y   -0.000000  -0.263665   0.170389   0.000008   0.000005
   33  O  2  Z   -0.000000   0.000006  -0.000030   0.103969   0.000000
   34  O  2 XX    0.007030   0.000000   0.000001  -0.004078   0.000000
   35  O  2 YY   -0.007030  -0.000001   0.000001  -0.004078   0.000000
   36  O  2 ZZ   -0.000000   0.000000  -0.000001  -0.003263   0.000000
   37  O  2 XY    0.000000   0.000000  -0.000001  -0.000000   0.008611
   38  O  2 XZ    0.000001  -0.004807  -0.007438  -0.000000  -0.000001
   39  O  2 YZ    0.000001  -0.007438   0.004807   0.000000   0.000001
   40  CL 3  S   -0.000000  -0.010961   0.051006   0.022373   0.063906
   41  CL 3  S   -0.000000  -0.029427   0.136938   0.044405   0.151401
   42  CL 3  X   -0.084995   0.031840  -0.059430  -0.018243  -0.088866
   43  CL 3  Y   -0.084995   0.004614   0.067263   0.018243   0.088866
   44  CL 3  Z   -0.000000   0.009470  -0.044067  -0.005094   0.059563
   45  CL 3  X   -0.126952   0.069367  -0.090865  -0.005703  -0.175976
   46  CL 3  Y   -0.126952   0.025914   0.111340   0.005703   0.175976
   47  CL 3  Z   -0.000000   0.013272  -0.061761  -0.025191   0.117019
   48  CL 4  S   -0.000000  -0.051009  -0.010960   0.022372  -0.063902
   49  CL 4  S    0.000001  -0.136944  -0.029426   0.044405  -0.151389
   50  CL 4  X    0.084992  -0.067272   0.004614   0.018244  -0.088856
   51  CL 4  Y   -0.084994  -0.059432  -0.031838   0.018242  -0.088866
   52  CL 4  Z    0.000012   0.044055   0.009472  -0.005093  -0.059575
   53  CL 4  X    0.126950  -0.111354   0.025913   0.005709  -0.175957
   54  CL 4  Y   -0.126950  -0.090871  -0.069363   0.005705  -0.175977
   55  CL 4  Z    0.000018   0.061741   0.013279  -0.025192  -0.117042
   56  CL 5  S   -0.000000   0.010961  -0.051010   0.022372   0.063898
   57  CL 5  S   -0.000001   0.029429  -0.136948   0.044406   0.151379
   58  CL 5  X    0.084992   0.031841  -0.059441   0.018244   0.088856
   59  CL 5  Y    0.084992   0.004611   0.067274  -0.018244  -0.088856
   60  CL 5  Z   -0.000000  -0.009465   0.044045  -0.005091   0.059587
   61  CL 5  X    0.126947   0.069369  -0.090884   0.005711   0.175958
   62  CL 5  Y    0.126948   0.025908   0.111358  -0.005711  -0.175959
   63  CL 5  Z   -0.000000  -0.013265   0.061725  -0.025193   0.117065
   64  CL 6  S    0.000001   0.051008   0.010962   0.022373  -0.063902
   65  CL 6  S    0.000000   0.136944   0.029431   0.044406  -0.151389
   66  CL 6  X   -0.084994  -0.067265   0.004612  -0.018243   0.088866
   67  CL 6  Y    0.084992  -0.059438  -0.031843  -0.018244   0.088856
   68  CL 6  Z   -0.000012  -0.044057  -0.009462  -0.005093  -0.059575
   69  CL 6  X   -0.126950  -0.111345   0.025908  -0.005704   0.175976
   70  CL 6  Y    0.126949  -0.090879  -0.069372  -0.005708   0.175955
   71  CL 6  Z   -0.000018  -0.061745  -0.013257  -0.025192  -0.117042

                     31         32         33         34         35
                    0.2800     0.2802     0.2802     0.3245     0.4788
                     A          A          A          A          A   
    1  MO 1  S   -0.155250   0.000065  -0.000061   0.901235   1.154406
    2  MO 1  S   -0.011005  -0.000001   0.000008   0.893050   0.552979
    3  MO 1  S   -0.313654   0.000133  -0.000121   2.503381   1.523186
    4  MO 1  X    0.000029  -0.005945  -0.022937  -0.000004  -0.000007
    5  MO 1  Y   -0.000034  -0.022937   0.005945   0.000004   0.000008
    6  MO 1  Z   -0.273040   0.000126  -0.000134   0.073235  -0.007769
    7  MO 1  X    0.000197  -0.136255  -0.525677   0.000001  -0.000071
    8  MO 1  Y   -0.000310  -0.525677   0.136258   0.000003   0.000059
    9  MO 1  Z   -0.014124   0.000023  -0.000044   0.230409   1.860356
   10  MO 1  X   -0.000546   0.350138   1.350850  -0.000006   0.000022
   11  MO 1  Y    0.000838   1.350850  -0.350139  -0.000001  -0.000018
   12  MO 1  Z    0.607555  -0.000347   0.000418  -0.150491  -0.608006
   13  MO 1 XX    0.331238  -0.000155   0.000138  -0.306938  -0.678675
   14  MO 1 YY    0.331238  -0.000131   0.000151  -0.306938  -0.678675
   15  MO 1 ZZ   -0.502385   0.000220  -0.000226  -0.394890  -0.026548
   16  MO 1 XY    0.000000  -0.000020   0.000030   0.000000   0.000000
   17  MO 1 XZ    0.000009   0.041914   0.161707  -0.000000  -0.000051
   18  MO 1 YZ    0.000026   0.161708  -0.041912  -0.000001   0.000050
   19  MO 1 XX    0.351737  -0.000154   0.000148  -0.644992  -1.022046
   20  MO 1 YY    0.351737  -0.000143   0.000155  -0.644992  -1.022046
   21  MO 1 ZZ   -0.289386   0.000126  -0.000133  -0.329908  -0.521418
   22  MO 1 XY    0.000000  -0.000010   0.000017   0.000001  -0.000003
   23  MO 1 XZ    0.000022   0.021203   0.081800  -0.000030  -0.000039
   24  MO 1 YZ   -0.000004   0.081800  -0.021203   0.000029   0.000041
   25  O  2  S   -0.015061   0.000007  -0.000006   0.050478   0.060460
   26  O  2  S   -0.024380   0.000011  -0.000012  -0.048632  -0.009025
   27  O  2  X    0.000067  -0.033595  -0.129612   0.000004  -0.000007
   28  O  2  Y   -0.000095  -0.129613   0.033594  -0.000004   0.000007
   29  O  2  Z   -0.268968   0.000131  -0.000144  -0.026754   0.002293
   30  O  2  S    0.330759  -0.000143   0.000149  -0.611042  -0.989318
   31  O  2  X    0.000059  -0.024214  -0.093418  -0.000006  -0.000026
   32  O  2  Y   -0.000080  -0.093418   0.024213   0.000006   0.000027
   33  O  2  Z   -0.356870   0.000168  -0.000181   0.099689   0.243375
   34  O  2 XX   -0.014548   0.000006  -0.000006   0.038636   0.053905
   35  O  2 YY   -0.014548   0.000006  -0.000006   0.038636   0.053905
   36  O  2 ZZ   -0.013756   0.000006  -0.000006   0.009198   0.044449
   37  O  2 XY    0.000000  -0.000000   0.000000  -0.000000  -0.000000
   38  O  2 XZ   -0.000000   0.000025   0.000097   0.000003   0.000001
   39  O  2 YZ    0.000000   0.000097  -0.000025  -0.000003  -0.000001
   40  CL 3  S   -0.004057   0.034016  -0.057819  -0.108694   0.057793
   41  CL 3  S   -0.026578   0.088621  -0.150631  -0.228259   0.255610
   42  CL 3  X    0.010674  -0.018169  -0.061786   0.041632  -0.084732
   43  CL 3  Y   -0.010688  -0.062830   0.014133  -0.041632   0.084733
   44  CL 3  Z   -0.110481   0.012751  -0.021641  -0.018329  -0.020929
   45  CL 3  X    0.056377   0.011632  -0.166205   0.082712  -0.255413
   46  CL 3  Y   -0.056399  -0.139616   0.090910  -0.082712   0.255414
   47  CL 3  Z   -0.197498   0.001619  -0.002696  -0.024987  -0.019200
   48  CL 4  S   -0.004091   0.057821   0.034011  -0.108694   0.057798
   49  CL 4  S   -0.026667   0.150637   0.088599  -0.228255   0.255624
   50  CL 4  X   -0.010613  -0.014133  -0.062843  -0.041630   0.084736
   51  CL 4  Y   -0.010690  -0.061783   0.018158  -0.041632   0.084736
   52  CL 4  Z   -0.110494   0.021638   0.012636  -0.018336  -0.020915
   53  CL 4  X   -0.056237  -0.090905  -0.139667  -0.082703   0.255423
   54  CL 4  Y   -0.056362  -0.166200  -0.011683  -0.082706   0.255432
   55  CL 4  Z   -0.197504   0.002682   0.001412  -0.024998  -0.019155
   56  CL 5  S   -0.004146  -0.034014   0.057817  -0.108692   0.057803
   57  CL 5  S   -0.026808  -0.088609   0.150618  -0.228249   0.255637
   58  CL 5  X   -0.010616  -0.018160  -0.061796  -0.041630   0.084740
   59  CL 5  Y    0.010602  -0.062840   0.014143   0.041631  -0.084741
   60  CL 5  Z   -0.110514  -0.012644   0.021523  -0.018342  -0.020902
   61  CL 5  X   -0.056178   0.011673  -0.166249  -0.082697   0.255442
   62  CL 5  Y    0.056156  -0.139658   0.090953   0.082697  -0.255441
   63  CL 5  Z   -0.197510  -0.001422   0.002473  -0.025008  -0.019112
   64  CL 6  S   -0.004111  -0.057815  -0.034019  -0.108694   0.057799
   65  CL 6  S   -0.026720  -0.150613  -0.088632  -0.228254   0.255628
   66  CL 6  X    0.010677  -0.014143  -0.062828   0.041634  -0.084738
   67  CL 6  Y    0.010600  -0.061799   0.018172   0.041630  -0.084737
   68  CL 6  Z   -0.110502  -0.021527  -0.012758  -0.018335  -0.020916
   69  CL 6  X    0.056318  -0.090958  -0.139604   0.082707  -0.255434
   70  CL 6  Y    0.056193  -0.166253  -0.011621   0.082704  -0.255425
   71  CL 6  Z   -0.197504  -0.002487  -0.001629  -0.024998  -0.019154

                     36         37         38         39         40
                    0.5272     0.5272     0.5780     0.6830     0.6923
                     A          A          A          A          A   
    1  MO 1  S   -0.000004   0.000024   2.352002  -0.000000   0.000001
    2  MO 1  S   -0.000004   0.000020   1.530109  -0.000000   0.000000
    3  MO 1  S   -0.000006   0.000034   3.296872  -0.000000  -0.000000
    4  MO 1  X   -0.094394  -0.137162   0.000007  -0.000002   0.032268
    5  MO 1  Y   -0.137162   0.094395  -0.000007  -0.000001   0.032802
    6  MO 1  Z    0.000004  -0.000021  -0.050642  -0.000000   0.000000
    7  MO 1  X    1.252298   1.819674   0.000017   0.000046  -0.753258
    8  MO 1  Y    1.819677  -1.252293  -0.000015   0.000021  -0.765717
    9  MO 1  Z   -0.000011   0.000087  -0.843433  -0.000000   0.000007
   10  MO 1  X   -0.355859  -0.517085  -0.000003  -0.000007   0.098658
   11  MO 1  Y   -0.517086   0.355857   0.000002  -0.000003   0.100289
   12  MO 1  Z    0.000002  -0.000024   0.213146   0.000000  -0.000001
   13  MO 1 XX    0.000004   0.000018  -0.787997   0.599647   0.000081
   14  MO 1 YY   -0.000012   0.000014  -0.787998  -0.599647  -0.000080
   15  MO 1 ZZ    0.000013  -0.000060  -1.176617   0.000000  -0.000002
   16  MO 1 XY    0.000002  -0.000016   0.000000  -0.000005   0.000004
   17  MO 1 XZ   -0.067144  -0.097567   0.000042   0.000076  -0.420378
   18  MO 1 YZ   -0.097566   0.067146  -0.000043   0.000061  -0.427331
   19  MO 1 XX    0.000000  -0.000005  -1.678806  -1.167216  -0.000203
   20  MO 1 YY    0.000002  -0.000002  -1.678806   1.167218   0.000192
   21  MO 1 ZZ    0.000007  -0.000037  -2.117746  -0.000000   0.000004
   22  MO 1 XY    0.000005  -0.000008  -0.000002   0.000019  -0.000015
   23  MO 1 XZ    0.037546   0.054563   0.000018  -0.000165   1.123338
   24  MO 1 YZ    0.054559  -0.037550  -0.000018  -0.000126   1.141919
   25  O  2  S    0.000001  -0.000006  -0.065854  -0.000000   0.000000
   26  O  2  S   -0.000001   0.000006   0.167134  -0.000000   0.000000
   27  O  2  X   -0.118068  -0.171561   0.000021   0.000003  -0.056450
   28  O  2  Y   -0.171561   0.118068  -0.000021   0.000001  -0.057384
   29  O  2  Z    0.000005  -0.000027  -0.213852   0.000000  -0.000001
   30  O  2  S   -0.000018   0.000084   0.801624   0.000000  -0.000006
   31  O  2  X   -0.149392  -0.217078   0.000016   0.000012  -0.194075
   32  O  2  Y   -0.217077   0.149392  -0.000017   0.000005  -0.197285
   33  O  2  Z    0.000009  -0.000045  -0.114083   0.000000   0.000000
   34  O  2 XX    0.000000  -0.000004  -0.006762  -0.018058  -0.000004
   35  O  2 YY    0.000001  -0.000004  -0.006762   0.018058   0.000004
   36  O  2 ZZ    0.000000  -0.000002   0.002727  -0.000000   0.000000
   37  O  2 XY   -0.000000   0.000000  -0.000000   0.000000  -0.000000
   38  O  2 XZ    0.002403   0.003492  -0.000001  -0.000003   0.025104
   39  O  2 YZ    0.003492  -0.002403   0.000001  -0.000002   0.025519
   40  CL 3  S    0.025719  -0.139249  -0.009759  -0.000001  -0.000982
   41  CL 3  S    0.097809  -0.529560   0.024629  -0.000004  -0.004727
   42  CL 3  X   -0.057471   0.054253  -0.082960   0.078348   0.048467
   43  CL 3  Y   -0.034300  -0.071202   0.082960   0.078347   0.048325
   44  CL 3  Z    0.013661  -0.073967   0.077541   0.000003   0.001349
   45  CL 3  X   -0.189747   0.314883  -0.081942   0.170760   0.120568
   46  CL 3  Y   -0.064748  -0.361887   0.081942   0.170754   0.114320
   47  CL 3  Z    0.038290  -0.207311   0.066000   0.000003   0.000361
   48  CL 4  S    0.139246   0.025715  -0.009763   0.000005  -0.119672
   49  CL 4  S    0.529536   0.097794   0.024616   0.000020  -0.576118
   50  CL 4  X    0.071192  -0.034304   0.082946  -0.078350  -0.009140
   51  CL 4  Y    0.054253   0.057470   0.082953   0.078354  -0.008316
   52  CL 4  Z    0.073979   0.013661   0.077547  -0.000019   0.164466
   53  CL 4  X    0.361849  -0.064758   0.081931  -0.170747  -0.381655
   54  CL 4  Y    0.314873   0.189733   0.081936   0.170774  -0.379704
   55  CL 4  Z    0.207356   0.038285   0.066003  -0.000028   0.044000
   56  CL 5  S   -0.025716   0.139240  -0.009767   0.000003   0.000980
   57  CL 5  S   -0.097796   0.529505   0.024601   0.000016   0.004724
   58  CL 5  X   -0.057468   0.054240   0.082940  -0.078356   0.048460
   59  CL 5  Y   -0.034304  -0.071190  -0.082940  -0.078354   0.048319
   60  CL 5  Z   -0.013666   0.073989   0.077553  -0.000003  -0.001348
   61  CL 5  X   -0.189728   0.314833   0.081924  -0.170748   0.120540
   62  CL 5  Y   -0.064752  -0.361835  -0.081925  -0.170769   0.114295
   63  CL 5  Z   -0.038305   0.207399   0.066005   0.000001  -0.000362
   64  CL 6  S   -0.139244  -0.025720  -0.009763  -0.000007   0.119674
   65  CL 6  S   -0.529535  -0.097812   0.024616  -0.000033   0.576132
   66  CL 6  X    0.071200  -0.034301  -0.082953   0.078351  -0.009106
   67  CL 6  Y    0.054239   0.057471  -0.082947  -0.078351  -0.008341
   68  CL 6  Z   -0.073978  -0.013666   0.077547   0.000019  -0.164465
   69  CL 6  X    0.361876  -0.064740  -0.081936   0.170777  -0.381641
   70  CL 6  Y    0.314847   0.189741  -0.081931  -0.170734  -0.379740
   71  CL 6  Z   -0.207353  -0.038310   0.066002   0.000023  -0.043995

                     41         42         43         44         45
                    0.6923     0.7115     0.7393     0.9785     0.9911
                     A          A          A          A          A   
    1  MO 1  S    0.000055   0.285773   0.000001   0.273364   0.000000
    2  MO 1  S    0.000034  -0.011236  -0.000000  -0.893913  -0.000001
    3  MO 1  S    0.000064  -0.099091  -0.000000  -1.321340  -0.000001
    4  MO 1  X    0.032802  -0.000009  -0.000004   0.000013   0.000001
    5  MO 1  Y   -0.032269   0.000009   0.000005  -0.000013   0.000002
    6  MO 1  Z    0.000008   0.080050  -0.000000  -0.124166  -0.000000
    7  MO 1  X   -0.765719  -0.000096  -0.000016   0.000073   0.000020
    8  MO 1  Y    0.753259   0.000106   0.000003  -0.000081   0.000022
    9  MO 1  Z   -0.000055   1.394679   0.000002  -0.906694  -0.000001
   10  MO 1  X    0.100290   0.000019   0.000003  -0.000020  -0.000002
   11  MO 1  Y   -0.098658  -0.000020  -0.000001   0.000023  -0.000003
   12  MO 1  Z    0.000004  -0.265977  -0.000001   0.265879   0.000000
   13  MO 1 XX    0.000045   0.183945  -0.000004  -0.362954  -0.116361
   14  MO 1 YY    0.000024   0.183945   0.000005  -0.362954   0.116360
   15  MO 1 ZZ   -0.000133  -0.737970  -0.000002  -0.539244  -0.000000
   16  MO 1 XY   -0.000059   0.000001  -0.622592   0.000000  -0.000002
   17  MO 1 XZ   -0.427331   0.000084   0.000045   0.000013  -0.000009
   18  MO 1 YZ    0.420378  -0.000081  -0.000049  -0.000013  -0.000009
   19  MO 1 XX   -0.000232  -1.361236   0.000006   1.661132   0.566774
   20  MO 1 YY   -0.000190  -1.361236  -0.000010   1.661133  -0.566771
   21  MO 1 ZZ    0.000262   1.747480   0.000004   0.891139   0.000001
   22  MO 1 XY    0.000182  -0.000006   2.342529  -0.000002   0.000005
   23  MO 1 XZ    1.141917  -0.000269  -0.000156   0.000057   0.000034
   24  MO 1 YZ   -1.123337   0.000259   0.000169  -0.000053   0.000034
   25  O  2  S    0.000001   0.038249   0.000000  -0.017793  -0.000000
   26  O  2  S    0.000005   0.096574   0.000000   0.202289   0.000000
   27  O  2  X   -0.057384   0.000021  -0.000001   0.000003  -0.000000
   28  O  2  Y    0.056450  -0.000021   0.000000  -0.000003  -0.000000
   29  O  2  Z   -0.000017  -0.284635  -0.000001  -0.021998   0.000000
   30  O  2  S   -0.000033  -1.494283  -0.000002   0.045907   0.000000
   31  O  2  X   -0.197285   0.000001  -0.000001   0.000023   0.000001
   32  O  2  Y    0.194075   0.000000  -0.000001  -0.000023   0.000001
   33  O  2  Z   -0.000023   0.029059  -0.000000  -0.326791  -0.000000
   34  O  2 XX   -0.000001   0.066074   0.000000   0.068438   0.023806
   35  O  2 YY   -0.000001   0.066074  -0.000000   0.068438  -0.023805
   36  O  2 ZZ    0.000008   0.028912  -0.000000   0.029588   0.000000
   37  O  2 XY    0.000004  -0.000000   0.042226  -0.000000   0.000000
   38  O  2 XZ    0.025519   0.000002  -0.000003   0.000003   0.000002
   39  O  2 YZ   -0.025104  -0.000003   0.000003  -0.000003   0.000002
   40  CL 3  S    0.119679   0.114206   0.121935  -0.079676   0.000000
   41  CL 3  S    0.576163   0.546883   0.704181  -0.416347   0.000002
   42  CL 3  X   -0.008318   0.038111   0.108508  -0.260781   0.418171
   43  CL 3  Y    0.009115  -0.038111  -0.108509   0.260783   0.418168
   44  CL 3  Z   -0.164464   0.033081   0.043183  -0.020161   0.000002
   45  CL 3  X   -0.379733  -0.330537  -0.453548   0.507120  -0.484798
   46  CL 3  Y    0.381665   0.330536   0.453548  -0.507121  -0.484793
   47  CL 3  Z   -0.044044   0.210154   0.280284  -0.075632  -0.000001
   48  CL 4  S   -0.000979   0.114210  -0.121936  -0.079677   0.000001
   49  CL 4  S   -0.004715   0.546883  -0.704171  -0.416333   0.000008
   50  CL 4  X    0.048324  -0.038113   0.108517   0.260776  -0.418167
   51  CL 4  Y   -0.048461  -0.038110   0.108507   0.260772   0.418148
   52  CL 4  Z    0.001356   0.033072  -0.043167  -0.020121  -0.000054
   53  CL 4  X    0.114311   0.330513  -0.453514  -0.507101   0.484794
   54  CL 4  Y   -0.120544   0.330546  -0.453552  -0.507109  -0.484767
   55  CL 4  Z    0.000380   0.210194  -0.280340  -0.075704   0.000063
   56  CL 5  S   -0.119669   0.114211   0.121937  -0.079677   0.000000
   57  CL 5  S   -0.576085   0.546870   0.704153  -0.416317   0.000001
   58  CL 5  X   -0.008341  -0.038111  -0.108507   0.260769  -0.418142
   59  CL 5  Y    0.009132   0.038108   0.108514  -0.260763  -0.418144
   60  CL 5  Z    0.164467   0.033063   0.043154  -0.020083   0.000001
   61  CL 5  X   -0.379709   0.330513   0.453511  -0.507092   0.484762
   62  CL 5  Y    0.381629  -0.330513  -0.453511   0.507087   0.484763
   63  CL 5  Z    0.043951   0.210231   0.280396  -0.075775   0.000000
   64  CL 6  S    0.000984   0.114210  -0.121932  -0.079677  -0.000002
   65  CL 6  S    0.004737   0.546876  -0.704163  -0.416329  -0.000012
   66  CL 6  X    0.048323   0.038105  -0.108510  -0.260766   0.418144
   67  CL 6  Y   -0.048470   0.038110  -0.108512  -0.260772  -0.418166
   68  CL 6  Z   -0.001341   0.033073  -0.043169  -0.020121   0.000051
   69  CL 6  X    0.114302  -0.330538   0.453545   0.507101  -0.484762
   70  CL 6  Y   -0.120562  -0.330507   0.453508   0.507095   0.484795
   71  CL 6  Z   -0.000343   0.210194  -0.280340  -0.075704  -0.000062

                     46         47         48         49         50
                    1.0387     1.0388     1.0656     1.0811     1.0815
                     A          A          A          A          A   
    1  MO 1  S   -0.000006   0.000012  -0.000002  -0.017236   0.000004
    2  MO 1  S    0.000002   0.000001   0.000001  -0.358619   0.000090
    3  MO 1  S    0.000001   0.000000   0.000001  -0.565804   0.000142
    4  MO 1  X    0.036663  -0.036108  -0.000003   0.000027   0.020861
    5  MO 1  Y    0.036109   0.036663   0.000003  -0.000017   0.020544
    6  MO 1  Z    0.000000  -0.000004  -0.000000  -0.049997   0.000013
    7  MO 1  X    0.723808  -0.712862  -0.000016   0.000188   0.160045
    8  MO 1  Y    0.712859   0.723811   0.000012  -0.000104   0.157610
    9  MO 1  Z    0.000000  -0.000100   0.000000  -0.133660   0.000035
   10  MO 1  X   -0.127082   0.125160   0.000005  -0.000035  -0.013411
   11  MO 1  Y   -0.125160  -0.127082  -0.000004   0.000030  -0.013206
   12  MO 1  Z   -0.000001   0.000020  -0.000001   0.260041  -0.000065
   13  MO 1 XX    0.000005  -0.000002   0.000001  -0.138391   0.000046
   14  MO 1 YY    0.000003  -0.000003   0.000002  -0.138391   0.000024
   15  MO 1 ZZ    0.000004  -0.000017   0.000001  -0.032258   0.000008
   16  MO 1 XY    0.000001  -0.000003   0.031176  -0.000001  -0.000000
   17  MO 1 XZ    0.039399  -0.038804  -0.000002  -0.000095  -0.086437
   18  MO 1 YZ    0.038803   0.039400   0.000000   0.000055  -0.085124
   19  MO 1 XX    0.000028  -0.000040  -0.000001   0.884299  -0.000260
   20  MO 1 YY   -0.000036  -0.000036  -0.000004   0.884299  -0.000186
   21  MO 1 ZZ    0.000001   0.000091   0.000000  -0.156979   0.000039
   22  MO 1 XY   -0.000002   0.000051   0.459624   0.000004  -0.000002
   23  MO 1 XZ   -0.409086   0.402900  -0.000031   0.000379   0.299312
   24  MO 1 YZ   -0.402897  -0.409088   0.000037  -0.000241   0.294766
   25  O  2  S    0.000000  -0.000000   0.000000  -0.004811   0.000001
   26  O  2  S    0.000000   0.000000  -0.000000  -0.162479   0.000040
   27  O  2  X   -0.016344   0.016097   0.000001  -0.000139  -0.146805
   28  O  2  Y   -0.016096  -0.016344  -0.000002   0.000067  -0.144575
   29  O  2  Z    0.000002  -0.000000   0.000001  -0.131862   0.000033
   30  O  2  S   -0.000002   0.000004  -0.000000   0.515932  -0.000129
   31  O  2  X    0.051313  -0.050537   0.000000   0.000038   0.040932
   32  O  2  Y    0.050537   0.051314  -0.000000  -0.000017   0.040310
   33  O  2  Z   -0.000001  -0.000007  -0.000000   0.041678  -0.000010
   34  O  2 XX   -0.000000  -0.000000  -0.000000  -0.046177   0.000011
   35  O  2 YY    0.000000   0.000000  -0.000000  -0.046177   0.000012
   36  O  2 ZZ    0.000000   0.000001  -0.000000  -0.051350   0.000013
   37  O  2 XY   -0.000000   0.000000   0.002683   0.000000  -0.000000
   38  O  2 XZ   -0.002738   0.002697  -0.000000   0.000005   0.004311
   39  O  2 YZ   -0.002697  -0.002738   0.000000  -0.000003   0.004246
   40  CL 3  S   -0.000681   0.089352   0.045997  -0.035620  -0.000052
   41  CL 3  S   -0.002655   0.348468   0.130650  -0.189448   0.000154
   42  CL 3  X    0.453601   0.378309   0.085057   0.087529   0.191063
   43  CL 3  Y    0.459315  -0.371351  -0.085055  -0.087428   0.191221
   44  CL 3  Z   -0.001643   0.214953  -0.600788   0.569385   0.005931
   45  CL 3  X   -0.522944  -0.596350  -0.170504   0.023954  -0.192030
   46  CL 3  Y   -0.531974   0.588311   0.170502  -0.024057  -0.191741
   47  CL 3  Z    0.001533  -0.200430   0.668242  -0.707847  -0.006617
   48  CL 4  S    0.089353   0.000680  -0.045996  -0.035611   0.007946
   49  CL 4  S    0.348466   0.002653  -0.130644  -0.189453  -0.013976
   50  CL 4  X   -0.371369  -0.459317   0.084969  -0.087427  -0.005724
   51  CL 4  Y   -0.378325   0.453617   0.085058  -0.087640  -0.008757
   52  CL 4  Z    0.214894   0.001577   0.600779   0.568573  -0.793099
   53  CL 4  X    0.588325   0.531975  -0.170404  -0.024064  -0.019946
   54  CL 4  Y    0.596370  -0.522964  -0.170504  -0.023867  -0.016886
   55  CL 4  Z   -0.200336  -0.001458  -0.668240  -0.706953   0.887292
   56  CL 5  S    0.000682  -0.089355   0.045994  -0.035606   0.000070
   57  CL 5  S    0.002656  -0.348464   0.130638  -0.189453  -0.000059
   58  CL 5  X    0.453624   0.378352  -0.084967  -0.087529   0.191113
   59  CL 5  Y    0.459336  -0.371387   0.084965   0.087634   0.191180
   60  CL 5  Z    0.001633  -0.214838  -0.600785   0.568137  -0.006210
   61  CL 5  X   -0.522968  -0.596396   0.170400  -0.023973  -0.192026
   62  CL 5  Y   -0.531995   0.588348  -0.170397   0.023867  -0.191756
   63  CL 5  Z   -0.001521   0.200249   0.668255  -0.706476   0.006965
   64  CL 6  S   -0.089353  -0.000682  -0.045995  -0.035616  -0.007927
   65  CL 6  S   -0.348463  -0.002658  -0.130642  -0.189451   0.014073
   66  CL 6  X   -0.371369  -0.459332  -0.085053   0.087639  -0.005871
   67  CL 6  Y   -0.378335   0.453606  -0.084968   0.087422  -0.008693
   68  CL 6  Z   -0.214896  -0.001698   0.600788   0.568956   0.792809
   69  CL 6  X    0.588332   0.531994   0.170496   0.023858  -0.019841
   70  CL 6  Y    0.596373  -0.522949   0.170401   0.024059  -0.017022
   71  CL 6  Z    0.200340   0.001595  -0.668250  -0.707381  -0.886932

                     51         52         53         54         55
                    1.0815     1.1458     1.1549     1.1549     1.1623
                     A          A          A          A          A   
    1  MO 1  S    0.000011  -0.000004  -0.000015   0.000042   0.000004
    2  MO 1  S    0.000270   0.000003  -0.000006   0.000004   0.000002
    3  MO 1  S    0.000426   0.000003  -0.000017   0.000027   0.000005
    4  MO 1  X    0.020544  -0.000003   0.085312   0.109729   0.000009
    5  MO 1  Y   -0.020861  -0.000002   0.109729  -0.085312   0.000008
    6  MO 1  Z    0.000041   0.000000  -0.000004   0.000018   0.000001
    7  MO 1  X    0.157612  -0.000026   0.365417   0.470008   0.000039
    8  MO 1  Y   -0.160046   0.000009   0.470008  -0.365416   0.000031
    9  MO 1  Z    0.000127   0.000003  -0.000016   0.000074   0.000003
   10  MO 1  X   -0.013206   0.000016  -0.295250  -0.379755  -0.000033
   11  MO 1  Y    0.013411   0.000001  -0.379755   0.295250  -0.000028
   12  MO 1  Z   -0.000201  -0.000002   0.000012  -0.000057  -0.000002
   13  MO 1 XX    0.000117   0.000003   0.000014  -0.000015  -0.000002
   14  MO 1 YY    0.000117   0.000003  -0.000002  -0.000016  -0.000002
   15  MO 1 ZZ    0.000004   0.000003   0.000009  -0.000039  -0.000002
   16  MO 1 XY   -0.000012  -0.335148  -0.000007  -0.000022  -0.000000
   17  MO 1 XZ   -0.085123   0.000026  -0.067793  -0.087196  -0.000007
   18  MO 1 YZ    0.086436  -0.000021  -0.087196   0.067793  -0.000006
   19  MO 1 XX   -0.000707  -0.000006   0.000007  -0.000036  -0.000005
   20  MO 1 YY   -0.000707  -0.000007   0.000030  -0.000034  -0.000005
   21  MO 1 ZZ    0.000193  -0.000001   0.000002   0.000017  -0.000001
   22  MO 1 XY    0.000051   0.571630   0.000014   0.000044   0.000000
   23  MO 1 XZ    0.294764  -0.000040   0.079567   0.102338   0.000008
   24  MO 1 YZ   -0.299311   0.000032   0.102337  -0.079568   0.000009
   25  O  2  S    0.000004   0.000000  -0.000000  -0.000000   0.000000
   26  O  2  S    0.000128  -0.000002  -0.000003   0.000014   0.000001
   27  O  2  X   -0.144575  -0.000002   0.047877   0.061580   0.000007
   28  O  2  Y    0.146806  -0.000001   0.061580  -0.047877   0.000006
   29  O  2  Z    0.000082  -0.000001   0.000004  -0.000003  -0.000002
   30  O  2  S   -0.000399   0.000002   0.000008  -0.000025  -0.000002
   31  O  2  X    0.040310   0.000005  -0.103213  -0.132753  -0.000013
   32  O  2  Y   -0.040932   0.000002  -0.132753   0.103213  -0.000012
   33  O  2  Z   -0.000029   0.000002  -0.000004  -0.000007   0.000002
   34  O  2 XX    0.000036  -0.000001  -0.000001   0.000003   0.000000
   35  O  2 YY    0.000036  -0.000001   0.000000   0.000003   0.000000
   36  O  2 ZZ    0.000041  -0.000001  -0.000001   0.000006   0.000000
   37  O  2 XY    0.000001   0.035672   0.000001   0.000003   0.000000
   38  O  2 XZ    0.004246  -0.000003   0.004317   0.005553   0.000000
   39  O  2 YZ   -0.004311   0.000002   0.005553  -0.004317   0.000000
   40  CL 3  S   -0.007909  -0.024570   0.007317  -0.058455  -0.000000
   41  CL 3  S    0.014172   0.177480   0.003843  -0.030668   0.000000
   42  CL 3  X   -0.008845  -0.421666  -0.281169  -0.552319  -0.440651
   43  CL 3  Y    0.005917   0.421686  -0.408622   0.465971  -0.440646
   44  CL 3  Z    0.792506  -0.105422  -0.021542   0.172088  -0.000001
   45  CL 3  X   -0.016915   0.383671   0.291799   0.674325   0.482669
   46  CL 3  Y    0.019854  -0.383693   0.449001  -0.581592   0.482664
   47  CL 3  Z   -0.886562   0.176811   0.030879  -0.246666   0.000001
   48  CL 4  S   -0.000035   0.024571   0.058456   0.007321   0.000006
   49  CL 4  S    0.000249  -0.177469   0.030672   0.003837   0.000003
   50  CL 4  X    0.191270  -0.421683  -0.465912  -0.408692  -0.440666
   51  CL 4  Y   -0.191018  -0.421682  -0.552377   0.281159   0.440570
   52  CL 4  Z    0.005668   0.105366  -0.172163  -0.021610  -0.000075
   53  CL 4  X   -0.191735   0.383702   0.581523   0.449078   0.482692
   54  CL 4  Y    0.192042   0.383689   0.674390  -0.291786  -0.482571
   55  CL 4  Z   -0.006284  -0.176759   0.246759   0.030952   0.000087
   56  CL 5  S    0.007965  -0.024572  -0.007320   0.058459   0.000001
   57  CL 5  S   -0.013875   0.177465  -0.003840   0.030692   0.000002
   58  CL 5  X   -0.008606   0.421725  -0.281220  -0.552324   0.440579
   59  CL 5  Y    0.005679  -0.421706  -0.408728   0.465944   0.440589
   60  CL 5  Z   -0.793401  -0.105304   0.021567  -0.172268  -0.000003
   61  CL 5  X   -0.016992  -0.383747   0.291854   0.674338  -0.482586
   62  CL 5  Y    0.019930   0.383726   0.449115  -0.581571  -0.482602
   63  CL 5  Z    0.887660   0.176699  -0.030908   0.246891   0.000004
   64  CL 6  S    0.000087   0.024574  -0.058458  -0.007316  -0.000005
   65  CL 6  S    0.000035  -0.177470  -0.030688  -0.003846  -0.000001
   66  CL 6  X    0.191131   0.421708  -0.466004  -0.408658   0.440569
   67  CL 6  Y   -0.191159   0.421708  -0.552267   0.281230  -0.440659
   68  CL 6  Z   -0.006473   0.105355   0.172193   0.021499   0.000071
   69  CL 6  X   -0.191763  -0.383720   0.581641   0.449039  -0.482573
   70  CL 6  Y    0.192017  -0.383731   0.674273  -0.291867   0.482683
   71  CL 6  Z    0.007298  -0.176744  -0.246798  -0.030836  -0.000082

                     56         57         58         59         60
                    1.1805     1.3152     1.3757     1.3757     1.8228
                     A          A          A          A          A   
    1  MO 1  S    1.459933  -1.136030  -0.000004   0.000006   2.524123
    2  MO 1  S    0.193406  -0.806682  -0.000002   0.000002   1.205934
    3  MO 1  S    0.751209  -1.074360  -0.000004   0.000005   1.112899
    4  MO 1  X   -0.000014  -0.000009  -0.021503  -0.043303   0.000030
    5  MO 1  Y    0.000015   0.000010  -0.043303   0.021503  -0.000030
    6  MO 1  Z    0.108654   0.147433   0.000002  -0.000005  -0.443858
    7  MO 1  X   -0.000036   0.000065  -0.283064  -0.570043   0.000130
    8  MO 1  Y    0.000052  -0.000062  -0.570043   0.283064  -0.000129
    9  MO 1  Z    0.179758  -0.767216   0.000019  -0.000063  -1.857203
   10  MO 1  X    0.000024   0.000002   0.021281   0.042856  -0.000018
   11  MO 1  Y   -0.000032  -0.000005   0.042856  -0.021281   0.000018
   12  MO 1  Z   -0.117992  -0.050239  -0.000001   0.000005   0.288970
   13  MO 1 XX   -0.880000   0.415596   0.000000  -0.000005  -1.176100
   14  MO 1 YY   -0.880000   0.415596   0.000004  -0.000004  -1.176100
   15  MO 1 ZZ   -0.737392   0.545443   0.000001  -0.000001  -1.278918
   16  MO 1 XY   -0.000001   0.000001  -0.000001   0.000002   0.000000
   17  MO 1 XZ   -0.000008  -0.000010   0.006959   0.014014   0.000009
   18  MO 1 YZ    0.000008   0.000009   0.014014  -0.006959  -0.000009
   19  MO 1 XX   -0.155925   1.053590   0.000039   0.000068  -0.361504
   20  MO 1 YY   -0.155925   1.053590  -0.000066   0.000033  -0.361504
   21  MO 1 ZZ   -0.353764  -0.039866   0.000034  -0.000102  -1.829240
   22  MO 1 XY    0.000005  -0.000001   0.000021  -0.000060   0.000000
   23  MO 1 XZ    0.000015   0.000081  -0.283184  -0.570287   0.000117
   24  MO 1 YZ   -0.000020  -0.000079  -0.570287   0.283184  -0.000118
   25  O  2  S   -0.002752  -0.020089  -0.000000  -0.000000  -0.086842
   26  O  2  S    0.478947  -0.520013  -0.000001   0.000002  -1.748706
   27  O  2  X    0.000012   0.000059  -0.412640  -0.830989  -0.000017
   28  O  2  Y   -0.000012  -0.000057  -0.830989   0.412640   0.000017
   29  O  2  Z   -0.187850  -0.849567   0.000028  -0.000087   0.238506
   30  O  2  S   -0.692074   1.434317   0.000004  -0.000003   4.556171
   31  O  2  X   -0.000004  -0.000074   0.647740   1.304443   0.000061
   32  O  2  Y    0.000003   0.000071   1.304443  -0.647740  -0.000061
   33  O  2  Z    0.100802   1.086144  -0.000044   0.000136  -0.854353
   34  O  2 XX    0.128688  -0.225256  -0.000005  -0.000008  -0.303337
   35  O  2 YY    0.128688  -0.225256   0.000008  -0.000004  -0.303337
   36  O  2 ZZ    0.142973  -0.058836  -0.000004   0.000013  -0.701045
   37  O  2 XY    0.000000  -0.000000  -0.000002   0.000007  -0.000000
   38  O  2 XZ   -0.000001  -0.000013   0.035258   0.071003   0.000032
   39  O  2 YZ    0.000001   0.000013   0.071003  -0.035258  -0.000032
   40  CL 3  S    0.007693  -0.053391  -0.013908   0.041345  -0.022236
   41  CL 3  S   -0.047588  -0.229435  -0.016909   0.050265  -0.147458
   42  CL 3  X    0.323850  -0.064750  -0.070598  -0.061858   0.065224
   43  CL 3  Y   -0.323850   0.064750  -0.093631   0.006612  -0.065224
   44  CL 3  Z   -0.181273  -0.097441   0.051635  -0.153495  -0.116819
   45  CL 3  X   -0.386314   0.236346   0.100910   0.075059  -0.042114
   46  CL 3  Y    0.386313  -0.236345   0.125758   0.001191   0.042114
   47  CL 3  Z    0.190493   0.049778  -0.106649   0.317035   0.203630
   48  CL 4  S    0.007688  -0.053390  -0.041346  -0.013908  -0.022237
   49  CL 4  S   -0.047595  -0.229423  -0.050267  -0.016910  -0.147454
   50  CL 4  X   -0.323791   0.064768  -0.006633  -0.093638  -0.065205
   51  CL 4  Y   -0.323845   0.064748  -0.061856   0.070598  -0.065223
   52  CL 4  Z   -0.181308  -0.097432   0.153494   0.051621  -0.116828
   53  CL 4  X    0.386242  -0.236356  -0.001150   0.125773   0.042081
   54  CL 4  Y    0.386298  -0.236338   0.075053  -0.100910   0.042112
   55  CL 4  Z    0.190532   0.049748  -0.317033  -0.106630   0.203636
   56  CL 5  S    0.007681  -0.053389   0.013908  -0.041347  -0.022239
   57  CL 5  S   -0.047602  -0.229412   0.016910  -0.050269  -0.147450
   58  CL 5  X   -0.323776   0.064766  -0.070590  -0.061877  -0.065203
   59  CL 5  Y    0.323769  -0.064768  -0.093637   0.006632   0.065203
   60  CL 5  Z   -0.181345  -0.097422  -0.051631   0.153485  -0.116837
   61  CL 5  X    0.386212  -0.236349   0.100895   0.075096   0.042078
   62  CL 5  Y   -0.386206   0.236352   0.125771   0.001153  -0.042077
   63  CL 5  Z    0.190574   0.049715   0.106643  -0.317020   0.203641
   64  CL 6  S    0.007685  -0.053391   0.041346   0.013908  -0.022238
   65  CL 6  S   -0.047599  -0.229422   0.050266   0.016909  -0.147453
   66  CL 6  X    0.323831  -0.064752  -0.006611  -0.093630   0.065222
   67  CL 6  Y    0.323784  -0.064770  -0.061880   0.070591   0.065205
   68  CL 6  Z   -0.181307  -0.097431  -0.153486  -0.051644  -0.116828
   69  CL 6  X   -0.386278   0.236343  -0.001194   0.125757  -0.042110
   70  CL 6  Y   -0.386230   0.236358   0.075102  -0.100896  -0.042080
   71  CL 6  Z    0.190529   0.049746   0.317021   0.106662   0.203636

                     61         62         63         64         65
                    2.0877     2.0992     2.0992     2.1228     2.3625
                     A          A          A          A          A   
    1  MO 1  S   -0.000000  -0.000000   0.000000  -0.000000   1.123249
    2  MO 1  S   -0.000000  -0.000001   0.000000  -0.000000   0.380964
    3  MO 1  S   -0.000000  -0.000002   0.000001  -0.000000   0.206127
    4  MO 1  X   -0.000000  -0.036177   0.053867  -0.000000   0.000034
    5  MO 1  Y   -0.000000   0.053867   0.036177  -0.000000  -0.000034
    6  MO 1  Z    0.000000  -0.000006   0.000001   0.000000  -0.490470
    7  MO 1  X   -0.000002  -0.154434   0.229951   0.000003   0.000018
    8  MO 1  Y   -0.000002   0.229951   0.154433  -0.000003  -0.000018
    9  MO 1  Z    0.000000  -0.000029   0.000006   0.000000  -0.294377
   10  MO 1  X    0.000000   0.044156  -0.065748  -0.000000  -0.000005
   11  MO 1  Y    0.000000  -0.065748  -0.044156   0.000000   0.000005
   12  MO 1  Z   -0.000000   0.000008  -0.000002  -0.000000   0.086438
   13  MO 1 XX    0.023653   0.000014  -0.000021   0.000000  -0.450070
   14  MO 1 YY   -0.023653   0.000021   0.000014   0.000000  -0.450070
   15  MO 1 ZZ    0.000000  -0.000036   0.000007   0.000000  -1.111205
   16  MO 1 XY   -0.000000  -0.000021   0.000004   0.080068   0.000000
   17  MO 1 XZ    0.000002  -0.117147   0.174431  -0.000006   0.000054
   18  MO 1 YZ    0.000001   0.174431   0.117147   0.000006  -0.000054
   19  MO 1 XX   -0.185929   0.000011  -0.000014  -0.000000  -0.158157
   20  MO 1 YY    0.185929   0.000016   0.000009   0.000000  -0.158157
   21  MO 1 ZZ    0.000000  -0.000021   0.000004   0.000000  -0.026322
   22  MO 1 XY    0.000000  -0.000010   0.000002  -0.514529  -0.000000
   23  MO 1 XZ   -0.000014  -0.073631   0.109636   0.000032  -0.000011
   24  MO 1 YZ   -0.000014   0.109636   0.073631  -0.000032   0.000011
   25  O  2  S    0.000000  -0.000000   0.000000   0.000000  -0.004266
   26  O  2  S    0.000000  -0.000000   0.000000   0.000000  -0.525247
   27  O  2  X   -0.000000  -0.078816   0.117356  -0.000001  -0.000016
   28  O  2  Y   -0.000000   0.117356   0.078816   0.000001   0.000016
   29  O  2  Z   -0.000000  -0.000014   0.000003  -0.000000   0.223930
   30  O  2  S   -0.000000   0.000001  -0.000000  -0.000000   0.999510
   31  O  2  X    0.000000   0.159104  -0.236905   0.000002   0.000052
   32  O  2  Y    0.000000  -0.236905  -0.159104  -0.000002  -0.000052
   33  O  2  Z    0.000000   0.000028  -0.000006   0.000000  -0.730796
   34  O  2 XX    0.871246   0.000070  -0.000102   0.000001  -0.567840
   35  O  2 YY   -0.871246   0.000103   0.000068  -0.000000  -0.567840
   36  O  2 ZZ    0.000000  -0.000174   0.000034  -0.000000   1.030054
   37  O  2 XY   -0.000001  -0.000107   0.000021   1.010883   0.000000
   38  O  2 XZ    0.000070  -0.571000   0.850216  -0.000076  -0.000130
   39  O  2 YZ    0.000070   0.850216   0.571000   0.000076   0.000130
   40  CL 3  S    0.000000   0.019623  -0.003855  -0.058950   0.010688
   41  CL 3  S    0.000000   0.028702  -0.005639  -0.119269  -0.010301
   42  CL 3  X   -0.021575  -0.002269   0.012573   0.013441   0.016565
   43  CL 3  Y   -0.021575   0.006857   0.010780  -0.013441  -0.016565
   44  CL 3  Z    0.000000  -0.032506   0.006386   0.012881  -0.013479
   45  CL 3  X    0.058146  -0.014545  -0.023080   0.062420  -0.028508
   46  CL 3  Y    0.058146   0.004732  -0.026867  -0.062420   0.028507
   47  CL 3  Z    0.000000   0.084826  -0.016665  -0.081479   0.050542
   48  CL 4  S   -0.000000   0.003855   0.019624   0.058950   0.010686
   49  CL 4  S   -0.000001   0.005637   0.028701   0.119265  -0.010301
   50  CL 4  X    0.021575  -0.010780   0.006861   0.013442  -0.016563
   51  CL 4  Y   -0.021575   0.012573   0.002268   0.013440  -0.016565
   52  CL 4  Z    0.000003  -0.006388  -0.032505  -0.012880  -0.013482
   53  CL 4  X   -0.058145   0.026864   0.004722   0.062409   0.028499
   54  CL 4  Y    0.058145  -0.023080   0.014547   0.062421   0.028506
   55  CL 4  Z   -0.000008   0.016668   0.084826   0.081488   0.050545
   56  CL 5  S   -0.000000  -0.019625   0.003856  -0.058950   0.010685
   57  CL 5  S    0.000000  -0.028701   0.005639  -0.119260  -0.010301
   58  CL 5  X    0.021575  -0.002272   0.012574  -0.013441  -0.016562
   59  CL 5  Y    0.021575   0.006860   0.010780   0.013441   0.016562
   60  CL 5  Z   -0.000000   0.032505  -0.006386   0.012879  -0.013484
   61  CL 5  X   -0.058144  -0.014537  -0.023081  -0.062410   0.028497
   62  CL 5  Y   -0.058144   0.004724  -0.026865   0.062410  -0.028497
   63  CL 5  Z    0.000000  -0.084827   0.016665  -0.081496   0.050548
   64  CL 6  S    0.000000  -0.003856  -0.019624   0.058950   0.010686
   65  CL 6  S    0.000001  -0.005640  -0.028701   0.119265  -0.010301
   66  CL 6  X   -0.021575  -0.010780   0.006856  -0.013440   0.016565
   67  CL 6  Y    0.021575   0.012574   0.002273  -0.013442   0.016563
   68  CL 6  Z   -0.000003   0.006385   0.032506  -0.012880  -0.013482
   69  CL 6  X    0.058145   0.026868   0.004734  -0.062421  -0.028506
   70  CL 6  Y   -0.058145  -0.023081   0.014534  -0.062409  -0.028499
   71  CL 6  Z    0.000008  -0.016662  -0.084827   0.081488   0.050545

                     66         67         68         69         70
                    4.0515     7.7103     9.1808     9.1808    11.0662
                     A          A          A          A          A   
    1  MO 1  S    1.636612   0.000001   0.000119   0.000002  -1.767220
    2  MO 1  S    0.952798   0.000000   0.000064   0.000001  -0.988375
    3  MO 1  S    0.320515  -0.000001   0.000067  -0.000001  -1.410811
    4  MO 1  X    0.000021  -0.000003  -0.064684   0.066284  -0.000017
    5  MO 1  Y   -0.000021   0.000003   0.066284   0.064685   0.000017
    6  MO 1  Z   -0.294563  -0.000000  -0.000009   0.000000   0.113415
    7  MO 1  X    0.000088   0.000031  -1.572482   1.611358  -0.000232
    8  MO 1  Y   -0.000088  -0.000030   1.611357   1.572483   0.000232
    9  MO 1  Z   -1.214281  -0.000000  -0.000253   0.000003   2.018302
   10  MO 1  X   -0.000010   0.000009  -0.053449   0.054770   0.000020
   11  MO 1  Y    0.000010  -0.000009   0.054771   0.053449  -0.000020
   12  MO 1  Z    0.148653   0.000000  -0.000007   0.000000  -0.185074
   13  MO 1 XX   -0.702254  -0.000000  -0.000041  -0.000007   0.611681
   14  MO 1 YY   -0.702254  -0.000000  -0.000041   0.000007   0.611681
   15  MO 1 ZZ   -0.638273   0.000000  -0.000053  -0.000000   0.430724
   16  MO 1 XY    0.000000  -0.042295  -0.000003   0.000000  -0.000000
   17  MO 1 XZ   -0.000005   0.000006  -0.054413   0.055758   0.000013
   18  MO 1 YZ    0.000005  -0.000006   0.055759   0.054413  -0.000013
   19  MO 1 XX   -0.164754   0.000000  -0.000046   0.000068  -1.526735
   20  MO 1 YY   -0.164754  -0.000000  -0.000047  -0.000068  -1.526735
   21  MO 1 ZZ   -1.099739   0.000000   0.000071  -0.000001   1.317745
   22  MO 1 XY   -0.000000   1.575097   0.000138  -0.000003  -0.000000
   23  MO 1 XZ    0.000074  -0.000120   0.541400  -0.554785  -0.000191
   24  MO 1 YZ   -0.000074   0.000119  -0.554784  -0.541401   0.000191
   25  O  2  S   -0.524878  -0.000000  -0.000000  -0.000000   0.042862
   26  O  2  S   -0.120124  -0.000000  -0.000005  -0.000000   0.204970
   27  O  2  X   -0.000008   0.000002  -0.051667   0.052944  -0.000006
   28  O  2  Y    0.000008  -0.000002   0.052944   0.051667   0.000006
   29  O  2  Z    0.119248  -0.000000  -0.000009   0.000000   0.077075
   30  O  2  S    5.130740   0.000001   0.000035   0.000000  -1.572603
   31  O  2  X    0.000033  -0.000006   0.147324  -0.150966   0.000005
   32  O  2  Y   -0.000033   0.000006  -0.150966  -0.147324  -0.000005
   33  O  2  Z   -0.465226   0.000000   0.000020  -0.000000  -0.060862
   34  O  2 XX   -1.768479  -0.000000   0.000001  -0.000002   0.093236
   35  O  2 YY   -1.768479  -0.000000   0.000002   0.000002   0.093236
   36  O  2 ZZ   -1.665495  -0.000000  -0.000004  -0.000000   0.137499
   37  O  2 XY    0.000000  -0.131956  -0.000007   0.000000   0.000000
   38  O  2 XZ   -0.000008   0.000011  -0.017094   0.017516  -0.000003
   39  O  2 YZ    0.000008  -0.000011   0.017516   0.017093   0.000003
   40  CL 3  S   -0.020019  -1.071508  -1.626089   0.019855  -1.213779
   41  CL 3  S   -0.057233   1.725306   2.777517  -0.033914   2.422448
   42  CL 3  X    0.006605   0.109889   0.174345   0.039604   0.115555
   43  CL 3  Y   -0.006605  -0.109888  -0.173326   0.043849  -0.115555
   44  CL 3  Z   -0.039646  -0.073610  -0.053273   0.000651  -0.050765
   45  CL 3  X    0.023291  -0.435065  -0.676017  -0.212030  -0.633223
   46  CL 3  Y   -0.023291   0.435065   0.670639  -0.228473   0.633223
   47  CL 3  Z    0.092039   0.304170   0.183820  -0.002245   0.281106
   48  CL 4  S   -0.020018   1.071560  -0.019776  -1.626088  -1.213721
   49  CL 4  S   -0.057230  -1.725377   0.033778   2.777506   2.422316
   50  CL 4  X   -0.006599   0.109885  -0.043842  -0.173318  -0.115545
   51  CL 4  Y   -0.006605   0.109891   0.039613  -0.174344  -0.115548
   52  CL 4  Z   -0.039647   0.073627  -0.000652  -0.053295  -0.050779
   53  CL 4  X   -0.023304  -0.435046   0.228438   0.670610   0.633164
   54  CL 4  Y   -0.023290  -0.435073  -0.212063   0.676014   0.633181
   55  CL 4  Z    0.092036  -0.304230   0.002256   0.183906   0.281181
   56  CL 5  S   -0.020018  -1.071617   1.626082  -0.019855  -1.213661
   57  CL 5  S   -0.057227   1.725454  -2.777485   0.033914   2.422180
   58  CL 5  X   -0.006599  -0.109888   0.174335   0.039606  -0.115538
   59  CL 5  Y    0.006599   0.109888  -0.173317   0.043851   0.115538
   60  CL 5  Z   -0.039648  -0.073644   0.053316  -0.000651  -0.050793
   61  CL 5  X   -0.023303   0.435055  -0.675983  -0.212028   0.633121
   62  CL 5  Y    0.023303  -0.435055   0.670604  -0.228470  -0.633121
   63  CL 5  Z    0.092033   0.304291  -0.183991   0.002246   0.281255
   64  CL 6  S   -0.020019   1.071561   0.019935   1.626084  -1.213723
   65  CL 6  S   -0.057230  -1.725379  -0.034050  -2.777499   2.422317
   66  CL 6  X    0.006605  -0.109891  -0.043858  -0.173325   0.115549
   67  CL 6  Y    0.006599  -0.109885   0.039597  -0.174336   0.115545
   68  CL 6  Z   -0.039647   0.073627   0.000649   0.053295  -0.050779
   69  CL 6  X    0.023290   0.435073   0.228506   0.670634  -0.633181
   70  CL 6  Y    0.023304   0.435047  -0.211996   0.675987  -0.633164
   71  CL 6  Z    0.092036  -0.304230  -0.002235  -0.183905   0.281181

                     71
                   20.6519
                     A   
    1  MO 1  S   14.799322
    2  MO 1  S    9.271130
    3  MO 1  S    0.632763
    4  MO 1  X   -0.000018
    5  MO 1  Y    0.000018
    6  MO 1  Z    0.238563
    7  MO 1  X   -0.000094
    8  MO 1  Y    0.000094
    9  MO 1  Z    1.382242
   10  MO 1  X    0.000016
   11  MO 1  Y   -0.000016
   12  MO 1  Z   -0.234894
   13  MO 1 XX   -3.442608
   14  MO 1 YY   -3.442608
   15  MO 1 ZZ   -3.418707
   16  MO 1 XY   -0.000000
   17  MO 1 XZ   -0.000002
   18  MO 1 YZ    0.000002
   19  MO 1 XX   -2.032101
   20  MO 1 YY   -2.032101
   21  MO 1 ZZ   -0.487886
   22  MO 1 XY    0.000000
   23  MO 1 XZ   -0.000123
   24  MO 1 YZ    0.000123
   25  O  2  S    0.098405
   26  O  2  S    0.301746
   27  O  2  X    0.000004
   28  O  2  Y   -0.000004
   29  O  2  Z   -0.053575
   30  O  2  S   -2.182207
   31  O  2  X   -0.000036
   32  O  2  Y    0.000036
   33  O  2  Z    0.472272
   34  O  2 XX    0.274605
   35  O  2 YY    0.274605
   36  O  2 ZZ    0.390055
   37  O  2 XY   -0.000000
   38  O  2 XZ   -0.000009
   39  O  2 YZ    0.000009
   40  CL 3  S   -0.213197
   41  CL 3  S    0.733730
   42  CL 3  X    0.031287
   43  CL 3  Y   -0.031287
   44  CL 3  Z    0.000774
   45  CL 3  X   -0.172941
   46  CL 3  Y    0.172941
   47  CL 3  Z    0.037080
   48  CL 4  S   -0.213199
   49  CL 4  S    0.733729
   50  CL 4  X   -0.031287
   51  CL 4  Y   -0.031287
   52  CL 4  Z    0.000771
   53  CL 4  X    0.172941
   54  CL 4  Y    0.172947
   55  CL 4  Z    0.037104
   56  CL 5  S   -0.213202
   57  CL 5  S    0.733729
   58  CL 5  X   -0.031287
   59  CL 5  Y    0.031287
   60  CL 5  Z    0.000767
   61  CL 5  X    0.172948
   62  CL 5  Y   -0.172948
   63  CL 5  Z    0.037128
   64  CL 6  S   -0.213200
   65  CL 6  S    0.733731
   66  CL 6  X    0.031288
   67  CL 6  Y    0.031287
   68  CL 6  Z    0.000771
   69  CL 6  X   -0.172948
   70  CL 6  Y   -0.172942
   71  CL 6  Z    0.037104
 ...... END OF RHF CALCULATION ......
 CPU     0: STEP CPU TIME=     7.41 TOTAL CPU TIME=        7.6 (    0.1 MIN)
 TOTAL WALL CLOCK TIME=        9.1 SECONDS, CPU UTILIZATION IS  83.57%

     ---------------------------------------------------------------------
     PROPERTIES FOR THE B3LYP    DFT FUNCTIONAL (RHF  TYPE) DENSITY MATRIX
     ---------------------------------------------------------------------

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

         WAVEFUNCTION NORMALIZATION =       1.0000000000

                ONE ELECTRON ENERGY =    -720.5536250848
                TWO ELECTRON ENERGY =     324.8398490115
           NUCLEAR REPULSION ENERGY =     193.0846777663
                                      ------------------
                       TOTAL ENERGY =    -202.6290983070

 ELECTRON-ELECTRON POTENTIAL ENERGY =     324.8398490115
  NUCLEUS-ELECTRON POTENTIAL ENERGY =    -840.3057212843
   NUCLEUS-NUCLEUS POTENTIAL ENERGY =     193.0846777663
                                      ------------------
             TOTAL POTENTIAL ENERGY =    -322.3811945065
               TOTAL KINETIC ENERGY =     119.7520961995
                 VIRIAL RATIO (V/T) =       2.6920714103
 MEMORY ASSIGNEMENT
 I10, I20, I21, I30, I31, I40, I41, I60 =
****************************************************************
 LAST = ********

          ---------------------------------------
          MULLIKEN AND LOWDIN POPULATION ANALYSES
          ---------------------------------------
 MEMORY ASSIGNMENT
 I10, I30, I40, I50, I60, I70, I41, I51, I61, I71 =
********************************************************************************
 LAST = ********

     ATOMIC MULLIKEN POPULATION IN EACH MOLECULAR ORBITAL

                      1          2          3          4          5

                  2.000000   2.000000   2.000000   2.000000   2.000000

    1            -0.000585   1.993312   1.924087   1.992356   1.992356
    2             2.000586   0.007145   0.075369   0.002481   0.002481
    3            -0.000000  -0.000114   0.000136   0.000081   0.002501
    4            -0.000000  -0.000114   0.000136   0.002501   0.000081
    5            -0.000000  -0.000114   0.000136   0.000081   0.002501
    6            -0.000000  -0.000114   0.000136   0.002501   0.000081

                      6          7          8          9         10

                  2.000000   2.000000   2.000000   2.000000   2.000000

    1             0.148595   0.106843   0.078754   0.078754   0.079987
    2             1.850583   0.000459   0.000028   0.000028  -0.000005
    3             0.000206   0.473337  -0.000247   0.961397   0.479300
    4             0.000206   0.473171   0.960810  -0.000247   0.480055
    5             0.000206   0.472995  -0.000247   0.960315   0.480727
    6             0.000206   0.473196   0.960902  -0.000246   0.479936

                     11         12         13         14         15

                  2.000000   2.000000   2.000000   2.000000   2.000000

    1             0.595468   0.568068   0.568068   0.270254   0.470938
    2             1.359603   1.314567   1.314568   0.043763   0.000212
    3             0.011233   0.001774   0.056916   0.421535   0.382298
    4             0.011232   0.056908   0.001774   0.421497   0.382202
    5             0.011231   0.001773   0.056901   0.421446   0.382138
    6             0.011232   0.056909   0.001774   0.421505   0.382212

                     16         17         18         19         20

                  2.000000   2.000000   2.000000   2.000000   2.000000

    1             0.438847   0.177298   0.177299   0.158115   0.023822
    2             0.000136   0.121042   0.121041   0.078070   0.084121
    3             0.390343   0.155205   0.695458   0.441035   0.029263
    4             0.390250   0.695576   0.155268   0.440951   0.916761
    5             0.390163   0.155319   0.695672   0.440866   0.029264
    6             0.390261   0.695560   0.155261   0.440964   0.916771

                     21         22         23         24         25

                  2.000000   2.000000   2.000000   2.000000   2.000000

    1             0.023822   0.007172   0.060211   0.060210   0.000000
    2             0.084120   0.000015   0.025213   0.025213   0.000000
    3             0.916777   0.498127   0.178670   0.778579   0.499964
    4             0.029265   0.498208   0.778567   0.178716   0.500006
    5             0.916752   0.498287   0.178760   0.778577   0.500038
    6             0.029265   0.498191   0.778578   0.178706   0.499991

                     26

                  2.000000

    1             1.594766
    2             0.000973
    3             0.101069
    4             0.101066
    5             0.101062
    6             0.101065

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

                      1          2          3          4          5

    1  MO 1  S    2.321125
    2  MO 1  S    0.029038   0.043614
    3  MO 1  S    0.014272  -0.001076   0.034933
    4  MO 1  X   -0.000000   0.000000  -0.000000   2.063289
    5  MO 1  Y   -0.000000   0.000000   0.000000  -0.000000   2.063289
    6  MO 1  Z   -0.000000  -0.000000   0.000000  -0.000000  -0.000000
    7  MO 1  X   -0.000000  -0.000000   0.000000  -0.015948   0.000000
    8  MO 1  Y   -0.000000  -0.000000   0.000000  -0.000000  -0.015948
    9  MO 1  Z   -0.000000  -0.000000  -0.000000   0.000000   0.000000
   10  MO 1  X    0.000000   0.000000   0.000000   0.002233  -0.000000
   11  MO 1  Y    0.000000   0.000000  -0.000000   0.000000   0.002233
   12  MO 1  Z   -0.000000  -0.000000  -0.000000   0.000000  -0.000000
   13  MO 1 XX   -0.046133   0.001132   0.012633  -0.000000   0.000000
   14  MO 1 YY   -0.046132   0.001132   0.012633   0.000000   0.000000
   15  MO 1 ZZ   -0.076794  -0.020895  -0.039796  -0.000000  -0.000000
   16  MO 1 XY    0.000000  -0.000000   0.000000   0.000000   0.000000
   17  MO 1 XZ    0.000000   0.000000   0.000000   0.000000   0.000000
   18  MO 1 YZ    0.000000   0.000000  -0.000000  -0.000000   0.000000
   19  MO 1 XX   -0.003626   0.003856  -0.011086   0.000000  -0.000000
   20  MO 1 YY   -0.003626   0.003856  -0.011086   0.000000  -0.000000
   21  MO 1 ZZ   -0.004148   0.000736  -0.007870  -0.000000   0.000000
   22  MO 1 XY    0.000000   0.000000  -0.000000  -0.000000   0.000000
   23  MO 1 XZ   -0.000000   0.000000  -0.000000  -0.000000  -0.000000
   24  MO 1 YZ   -0.000000   0.000000   0.000000   0.000000  -0.000000
   25  O  2  S    0.000003  -0.000587  -0.000551   0.000000   0.000000
   26  O  2  S   -0.000219   0.006461   0.007142  -0.000000  -0.000000
   27  O  2  X   -0.000000   0.000000  -0.000000  -0.001503  -0.000000
   28  O  2  Y   -0.000000   0.000000  -0.000000  -0.000000  -0.001503
   29  O  2  Z   -0.005938   0.002263  -0.004461  -0.000000  -0.000000
   30  O  2  S    0.000466   0.006868   0.024425  -0.000000  -0.000000
   31  O  2  X   -0.000000  -0.000000  -0.000000  -0.008607  -0.000000
   32  O  2  Y   -0.000000  -0.000000  -0.000000  -0.000000  -0.008607
   33  O  2  Z   -0.032521  -0.005246  -0.014780  -0.000000  -0.000000
   34  O  2 XX   -0.000036  -0.000170   0.000003  -0.000000   0.000000
   35  O  2 YY   -0.000036  -0.000170   0.000003   0.000000  -0.000000
   36  O  2 ZZ   -0.000856   0.000160  -0.001716   0.000000   0.000000
   37  O  2 XY    0.000000   0.000000  -0.000000   0.000000  -0.000000
   38  O  2 XZ   -0.000000  -0.000000  -0.000000   0.000030   0.000000
   39  O  2 YZ   -0.000000  -0.000000  -0.000000   0.000000   0.000030
   40  CL 3  S   -0.000015   0.001045   0.005277  -0.000272  -0.000272
   41  CL 3  S    0.000161   0.000681   0.007254  -0.000551  -0.000551
   42  CL 3  X   -0.000200   0.000967  -0.000086  -0.000238  -0.000454
   43  CL 3  Y   -0.000200   0.000967  -0.000086  -0.000454  -0.000238
   44  CL 3  Z   -0.000044   0.000191  -0.000363  -0.000075  -0.000075
   45  CL 3  X   -0.004527   0.001702  -0.000163  -0.002331  -0.004657
   46  CL 3  Y   -0.004527   0.001702  -0.000163  -0.004657  -0.002331
   47  CL 3  Z   -0.001110   0.000372  -0.001596  -0.000799  -0.000799
   48  CL 4  S   -0.000015   0.001045   0.005276  -0.000272  -0.000272
   49  CL 4  S    0.000161   0.000681   0.007254  -0.000551  -0.000551
   50  CL 4  X   -0.000200   0.000967  -0.000086  -0.000238  -0.000453
   51  CL 4  Y   -0.000200   0.000967  -0.000086  -0.000453  -0.000238
   52  CL 4  Z   -0.000044   0.000191  -0.000363  -0.000075  -0.000075
   53  CL 4  X   -0.004527   0.001702  -0.000162  -0.002330  -0.004657
   54  CL 4  Y   -0.004527   0.001702  -0.000163  -0.004657  -0.002331
   55  CL 4  Z   -0.001110   0.000373  -0.001596  -0.000800  -0.000799
   56  CL 5  S   -0.000015   0.001045   0.005276  -0.000272  -0.000272
   57  CL 5  S    0.000161   0.000681   0.007254  -0.000551  -0.000551
   58  CL 5  X   -0.000200   0.000967  -0.000086  -0.000238  -0.000453
   59  CL 5  Y   -0.000200   0.000967  -0.000086  -0.000453  -0.000238
   60  CL 5  Z   -0.000044   0.000191  -0.000363  -0.000076  -0.000076
   61  CL 5  X   -0.004527   0.001702  -0.000162  -0.002330  -0.004656
   62  CL 5  Y   -0.004527   0.001702  -0.000162  -0.004656  -0.002330
   63  CL 5  Z   -0.001111   0.000373  -0.001597  -0.000800  -0.000800
   64  CL 6  S   -0.000015   0.001045   0.005277  -0.000272  -0.000272
   65  CL 6  S    0.000161   0.000681   0.007254  -0.000551  -0.000551
   66  CL 6  X   -0.000200   0.000967  -0.000086  -0.000238  -0.000453
   67  CL 6  Y   -0.000200   0.000967  -0.000086  -0.000453  -0.000238
   68  CL 6  Z   -0.000044   0.000191  -0.000363  -0.000075  -0.000075
   69  CL 6  X   -0.004527   0.001702  -0.000163  -0.002331  -0.004657
   70  CL 6  Y   -0.004527   0.001702  -0.000162  -0.004657  -0.002330
   71  CL 6  Z   -0.001110   0.000373  -0.001596  -0.000799  -0.000800

                      6          7          8          9         10

    6  MO 1  Z    2.117159
    7  MO 1  X    0.000000   0.071218
    8  MO 1  Y    0.000000   0.000000   0.071218
    9  MO 1  Z    0.004914   0.000000   0.000000   0.024725
   10  MO 1  X    0.000000  -0.016190  -0.000000  -0.000000   0.038496
   11  MO 1  Y   -0.000000  -0.000000  -0.016191   0.000000  -0.000000
   12  MO 1  Z   -0.001159  -0.000000   0.000000   0.007280   0.000000
   13  MO 1 XX   -0.000000   0.000000  -0.000000   0.000000  -0.000000
   14  MO 1 YY   -0.000000  -0.000000  -0.000000   0.000000   0.000000
   15  MO 1 ZZ    0.000000   0.000000   0.000000  -0.000000   0.000000
   16  MO 1 XY    0.000000  -0.000000  -0.000000   0.000000   0.000000
   17  MO 1 XZ   -0.000000   0.000000   0.000000   0.000000   0.000000
   18  MO 1 YZ   -0.000000  -0.000000   0.000000   0.000000  -0.000000
   19  MO 1 XX   -0.000000   0.000000   0.000000   0.000000  -0.000000
   20  MO 1 YY   -0.000000   0.000000  -0.000000   0.000000   0.000000
   21  MO 1 ZZ    0.000000  -0.000000  -0.000000  -0.000000   0.000000
   22  MO 1 XY   -0.000000  -0.000000   0.000000  -0.000000   0.000000
   23  MO 1 XZ   -0.000000   0.000000   0.000000  -0.000000   0.000000
   24  MO 1 YZ    0.000000   0.000000   0.000000  -0.000000   0.000000
   25  O  2  S    0.000378  -0.000000  -0.000000  -0.000072  -0.000000
   26  O  2  S   -0.007849  -0.000000  -0.000000  -0.002776   0.000000
   27  O  2  X   -0.000000   0.007942   0.000000   0.000000   0.000050
   28  O  2  Y   -0.000000  -0.000000   0.007942   0.000000  -0.000000
   29  O  2  Z   -0.010658   0.000000   0.000000  -0.001695  -0.000000
   30  O  2  S   -0.043815   0.000000   0.000000   0.000491   0.000000
   31  O  2  X   -0.000000   0.026361   0.000000   0.000000  -0.000499
   32  O  2  Y   -0.000000  -0.000000   0.026361   0.000000  -0.000000
   33  O  2  Z   -0.045352   0.000000   0.000000  -0.001764  -0.000000
   34  O  2 XX    0.000483  -0.000000   0.000000   0.000182  -0.000000
   35  O  2 YY    0.000483   0.000000  -0.000000   0.000182  -0.000000
   36  O  2 ZZ    0.001897   0.000000   0.000000  -0.001598  -0.000000
   37  O  2 XY   -0.000000   0.000000   0.000000   0.000000   0.000000
   38  O  2 XZ    0.000000   0.000278   0.000000   0.000000   0.000005
   39  O  2 YZ    0.000000  -0.000000   0.000278   0.000000  -0.000000
   40  CL 3  S   -0.000040   0.004536   0.004536   0.001173   0.000471
   41  CL 3  S   -0.000170   0.001305   0.001305   0.000791   0.000571
   42  CL 3  X   -0.000067   0.001201   0.006398   0.000882   0.001853
   43  CL 3  Y   -0.000067   0.006398   0.001201   0.000882  -0.000093
   44  CL 3  Z   -0.000006   0.000575   0.000575   0.001135  -0.000027
   45  CL 3  X   -0.000920   0.001268   0.018262   0.002624   0.008828
   46  CL 3  Y   -0.000920   0.018262   0.001268   0.002624  -0.000169
   47  CL 3  Z   -0.000597   0.001614   0.001614   0.004529  -0.000127
   48  CL 4  S   -0.000040   0.004535   0.004537   0.001174   0.000471
   49  CL 4  S   -0.000170   0.001304   0.001306   0.000792   0.000571
   50  CL 4  X   -0.000067   0.001201   0.006397   0.000883   0.001853
   51  CL 4  Y   -0.000067   0.006397   0.001202   0.000883  -0.000093
   52  CL 4  Z   -0.000006   0.000576   0.000576   0.001135  -0.000027
   53  CL 4  X   -0.000920   0.001266   0.018261   0.002626   0.008828
   54  CL 4  Y   -0.000920   0.018260   0.001268   0.002626  -0.000169
   55  CL 4  Z   -0.000596   0.001615   0.001616   0.004527  -0.000127
   56  CL 5  S   -0.000040   0.004536   0.004535   0.001175   0.000471
   57  CL 5  S   -0.000170   0.001305   0.001304   0.000792   0.000571
   58  CL 5  X   -0.000067   0.001201   0.006397   0.000883   0.001853
   59  CL 5  Y   -0.000067   0.006397   0.001201   0.000883  -0.000093
   60  CL 5  Z   -0.000006   0.000576   0.000576   0.001134  -0.000027
   61  CL 5  X   -0.000921   0.001266   0.018258   0.002628   0.008828
   62  CL 5  Y   -0.000921   0.018259   0.001266   0.002628  -0.000169
   63  CL 5  Z   -0.000596   0.001617   0.001617   0.004525  -0.000127
   64  CL 6  S   -0.000040   0.004536   0.004536   0.001174   0.000471
   65  CL 6  S   -0.000170   0.001305   0.001305   0.000792   0.000572
   66  CL 6  X   -0.000067   0.001201   0.006397   0.000883   0.001853
   67  CL 6  Y   -0.000067   0.006397   0.001201   0.000883  -0.000093
   68  CL 6  Z   -0.000006   0.000576   0.000576   0.001135  -0.000027
   69  CL 6  X   -0.000920   0.001268   0.018260   0.002627   0.008828
   70  CL 6  Y   -0.000920   0.018261   0.001266   0.002627  -0.000169
   71  CL 6  Z   -0.000596   0.001616   0.001615   0.004527  -0.000127

                     11         12         13         14         15

   11  MO 1  Y    0.038496
   12  MO 1  Z   -0.000000   0.017893
   13  MO 1 XX   -0.000000   0.000000   1.295046
   14  MO 1 YY    0.000000   0.000000  -0.351820   1.295046
   15  MO 1 ZZ   -0.000000  -0.000000  -0.068619  -0.068619   0.482439
   16  MO 1 XY   -0.000000   0.000000  -0.000000   0.000000  -0.000000
   17  MO 1 XZ    0.000000   0.000000   0.000000  -0.000000  -0.000000
   18  MO 1 YZ    0.000000  -0.000000   0.000000  -0.000000   0.000000
   19  MO 1 XX   -0.000000   0.000000   0.156860  -0.049167   0.002368
   20  MO 1 YY    0.000000   0.000000  -0.049167   0.156859   0.002368
   21  MO 1 ZZ   -0.000000  -0.000000  -0.000763  -0.000764   0.015279
   22  MO 1 XY   -0.000000   0.000000  -0.000000   0.000000   0.000000
   23  MO 1 XZ    0.000000   0.000000   0.000000  -0.000000   0.000000
   24  MO 1 YZ    0.000000  -0.000000   0.000000  -0.000000  -0.000000
   25  O  2  S   -0.000000  -0.000143   0.000003   0.000003  -0.000566
   26  O  2  S    0.000000   0.001782  -0.000601  -0.000601   0.010027
   27  O  2  X   -0.000000  -0.000000   0.000000  -0.000000   0.000000
   28  O  2  Y    0.000050  -0.000000  -0.000000   0.000000   0.000000
   29  O  2  Z   -0.000000   0.000240  -0.003119  -0.003119   0.095131
   30  O  2  S    0.000000   0.007232  -0.002477  -0.002477  -0.005052
   31  O  2  X   -0.000000  -0.000000   0.000000  -0.000000   0.000000
   32  O  2  Y   -0.000499  -0.000000  -0.000000   0.000000   0.000000
   33  O  2  Z   -0.000000   0.000206  -0.029263  -0.029263   0.143070
   34  O  2 XX    0.000000  -0.000040   0.000506  -0.000121  -0.000525
   35  O  2 YY   -0.000000  -0.000040  -0.000121   0.000506  -0.000525
   36  O  2 ZZ    0.000000  -0.000230  -0.000981  -0.000981   0.014524
   37  O  2 XY    0.000000  -0.000000   0.000000   0.000000   0.000000
   38  O  2 XZ   -0.000000   0.000000   0.000000  -0.000000   0.000000
   39  O  2 YZ    0.000005   0.000000  -0.000000   0.000000   0.000000
   40  CL 3  S    0.000471   0.000093   0.000023   0.000023  -0.000033
   41  CL 3  S    0.000571   0.000309  -0.000423  -0.000423  -0.000186
   42  CL 3  X   -0.000093  -0.000007   0.001100   0.000033  -0.000076
   43  CL 3  Y    0.001853  -0.000007   0.000033   0.001100  -0.000076
   44  CL 3  Z   -0.000027   0.002051   0.000309   0.000309   0.000032
   45  CL 3  X   -0.000169   0.000036   0.011740  -0.006511  -0.001491
   46  CL 3  Y    0.008828   0.000036  -0.006511   0.011740  -0.001491
   47  CL 3  Z   -0.000127   0.008733   0.002017   0.002017  -0.000385
   48  CL 4  S    0.000471   0.000093   0.000023   0.000023  -0.000033
   49  CL 4  S    0.000571   0.000309  -0.000423  -0.000423  -0.000186
   50  CL 4  X   -0.000093  -0.000007   0.001100   0.000033  -0.000076
   51  CL 4  Y    0.001853  -0.000007   0.000033   0.001100  -0.000076
   52  CL 4  Z   -0.000027   0.002050   0.000309   0.000309   0.000032
   53  CL 4  X   -0.000169   0.000036   0.011736  -0.006511  -0.001489
   54  CL 4  Y    0.008828   0.000036  -0.006512   0.011739  -0.001489
   55  CL 4  Z   -0.000127   0.008733   0.002019   0.002017  -0.000386
   56  CL 5  S    0.000471   0.000093   0.000023   0.000023  -0.000033
   57  CL 5  S    0.000572   0.000309  -0.000423  -0.000423  -0.000186
   58  CL 5  X   -0.000093  -0.000007   0.001100   0.000033  -0.000076
   59  CL 5  Y    0.001853  -0.000007   0.000033   0.001100  -0.000076
   60  CL 5  Z   -0.000027   0.002050   0.000309   0.000309   0.000032
   61  CL 5  X   -0.000169   0.000036   0.011736  -0.006512  -0.001488
   62  CL 5  Y    0.008828   0.000036  -0.006512   0.011736  -0.001488
   63  CL 5  Z   -0.000127   0.008732   0.002019   0.002019  -0.000386
   64  CL 6  S    0.000471   0.000093   0.000023   0.000023  -0.000033
   65  CL 6  S    0.000571   0.000309  -0.000423  -0.000423  -0.000186
   66  CL 6  X   -0.000093  -0.000007   0.001100   0.000033  -0.000076
   67  CL 6  Y    0.001853  -0.000007   0.000033   0.001100  -0.000076
   68  CL 6  Z   -0.000027   0.002050   0.000309   0.000309   0.000032
   69  CL 6  X   -0.000169   0.000036   0.011740  -0.006512  -0.001489
   70  CL 6  Y    0.008828   0.000036  -0.006511   0.011736  -0.001489
   71  CL 6  Z   -0.000127   0.008733   0.002017   0.002019  -0.000386

                     16         17         18         19         20

   16  MO 1 XY    0.269179
   17  MO 1 XZ    0.000000   0.305989
   18  MO 1 YZ   -0.000000  -0.000000   0.305989
   19  MO 1 XX    0.000000   0.000000   0.000000   0.131515
   20  MO 1 YY    0.000000  -0.000000  -0.000000  -0.031384   0.131514
   21  MO 1 ZZ   -0.000000   0.000000  -0.000000   0.000587   0.000587
   22  MO 1 XY    0.028802   0.000000  -0.000000  -0.000000   0.000000
   23  MO 1 XZ    0.000000   0.033897  -0.000000   0.000000  -0.000000
   24  MO 1 YZ   -0.000000   0.000000   0.033897   0.000000  -0.000000
   25  O  2  S    0.000000  -0.000000  -0.000000   0.000004   0.000004
   26  O  2  S    0.000000   0.000000   0.000000  -0.000446  -0.000446
   27  O  2  X    0.000000   0.024822   0.000000   0.000000   0.000000
   28  O  2  Y    0.000000   0.000000   0.024822   0.000000   0.000000
   29  O  2  Z    0.000000   0.000000   0.000000   0.000529   0.000529
   30  O  2  S   -0.000000   0.000000   0.000000  -0.003151  -0.003151
   31  O  2  X    0.000000   0.055750  -0.000000   0.000000   0.000000
   32  O  2  Y    0.000000  -0.000000   0.055750   0.000000   0.000000
   33  O  2  Z    0.000000   0.000000   0.000000   0.005156   0.005156
   34  O  2 XX   -0.000000   0.000000   0.000000   0.000298  -0.000099
   35  O  2 YY   -0.000000   0.000000   0.000000  -0.000099   0.000298
   36  O  2 ZZ    0.000000   0.000000   0.000000   0.000086   0.000086
   37  O  2 XY    0.000094   0.000000   0.000000   0.000000   0.000000
   38  O  2 XZ    0.000000   0.003851   0.000000   0.000000   0.000000
   39  O  2 YZ    0.000000  -0.000000   0.003851   0.000000   0.000000
   40  CL 3  S    0.000570   0.000098   0.000098  -0.000141  -0.000141
   41  CL 3  S   -0.000480   0.000057   0.000057  -0.001303  -0.001303
   42  CL 3  X    0.002846   0.000571   0.000862   0.000255   0.001137
   43  CL 3  Y    0.002846   0.000862   0.000571   0.001137   0.000255
   44  CL 3  Z    0.000816   0.000014   0.000014   0.001680   0.001680
   45  CL 3  X    0.008729   0.001622   0.003236   0.000688  -0.001854
   46  CL 3  Y    0.008729   0.003236   0.001622  -0.001854   0.000688
   47  CL 3  Z    0.003014   0.000320   0.000320   0.004899   0.004899
   48  CL 4  S    0.000570   0.000098   0.000098  -0.000141  -0.000140
   49  CL 4  S   -0.000480   0.000057   0.000057  -0.001303  -0.001303
   50  CL 4  X    0.002845   0.000572   0.000862   0.000255   0.001137
   51  CL 4  Y    0.002846   0.000862   0.000572   0.001137   0.000255
   52  CL 4  Z    0.000816   0.000013   0.000013   0.001681   0.001680
   53  CL 4  X    0.008726   0.001623   0.003238   0.000687  -0.001855
   54  CL 4  Y    0.008728   0.003237   0.001623  -0.001856   0.000688
   55  CL 4  Z    0.003016   0.000320   0.000320   0.004901   0.004900
   56  CL 5  S    0.000569   0.000098   0.000098  -0.000141  -0.000141
   57  CL 5  S   -0.000480   0.000057   0.000057  -0.001303  -0.001303
   58  CL 5  X    0.002845   0.000572   0.000862   0.000255   0.001136
   59  CL 5  Y    0.002845   0.000862   0.000572   0.001136   0.000255
   60  CL 5  Z    0.000817   0.000013   0.000013   0.001681   0.001681
   61  CL 5  X    0.008725   0.001624   0.003238   0.000687  -0.001856
   62  CL 5  Y    0.008725   0.003238   0.001624  -0.001856   0.000687
   63  CL 5  Z    0.003018   0.000319   0.000319   0.004903   0.004903
   64  CL 6  S    0.000570   0.000098   0.000098  -0.000140  -0.000140
   65  CL 6  S   -0.000480   0.000057   0.000057  -0.001302  -0.001302
   66  CL 6  X    0.002846   0.000572   0.000862   0.000255   0.001137
   67  CL 6  Y    0.002845   0.000862   0.000572   0.001137   0.000255
   68  CL 6  Z    0.000816   0.000013   0.000013   0.001680   0.001681
   69  CL 6  X    0.008728   0.001623   0.003237   0.000688  -0.001855
   70  CL 6  Y    0.008726   0.003238   0.001623  -0.001854   0.000687
   71  CL 6  Z    0.003016   0.000320   0.000320   0.004900   0.004901

                     21         22         23         24         25

   21  MO 1 ZZ    0.016560
   22  MO 1 XY   -0.000000   0.022570
   23  MO 1 XZ    0.000000   0.000000   0.027361
   24  MO 1 YZ   -0.000000  -0.000000  -0.000000   0.027361
   25  O  2  S    0.001230   0.000000   0.000000   0.000000   2.080268
   26  O  2  S   -0.016981  -0.000000  -0.000000  -0.000000  -0.044378
   27  O  2  X    0.000000   0.000000   0.012229  -0.000000   0.000000
   28  O  2  Y    0.000000   0.000000   0.000000   0.012229   0.000000
   29  O  2  Z    0.001081   0.000000   0.000000   0.000000   0.000000
   30  O  2  S   -0.037091  -0.000000  -0.000000  -0.000000  -0.041353
   31  O  2  X    0.000000   0.000000   0.025587  -0.000000   0.000000
   32  O  2  Y    0.000000   0.000000   0.000000   0.025587   0.000000
   33  O  2  Z    0.000753  -0.000000   0.000000   0.000000  -0.000000
   34  O  2 XX    0.000259   0.000000  -0.000000   0.000000  -0.000418
   35  O  2 YY    0.000259   0.000000   0.000000  -0.000000  -0.000418
   36  O  2 ZZ    0.000766   0.000000   0.000000   0.000000  -0.000723
   37  O  2 XY    0.000000   0.000060   0.000000   0.000000   0.000000
   38  O  2 XZ    0.000000   0.000000   0.000437  -0.000000   0.000000
   39  O  2 YZ    0.000000   0.000000   0.000000   0.000437   0.000000
   40  CL 3  S   -0.000915   0.005184   0.000995   0.000995   0.000000
   41  CL 3  S   -0.001868   0.002267   0.000476   0.000476   0.000000
   42  CL 3  X    0.000439   0.001968   0.000482   0.001962   0.000000
   43  CL 3  Y    0.000439   0.001968   0.001962   0.000482   0.000000
   44  CL 3  Z    0.000675   0.002772   0.001620   0.001620   0.000000
   45  CL 3  X    0.002382   0.002478   0.000573   0.003980   0.000000
   46  CL 3  Y    0.002382   0.002477   0.003980   0.000573   0.000000
   47  CL 3  Z    0.001473   0.005968   0.005902   0.005902   0.000001
   48  CL 4  S   -0.000916   0.005183   0.000995   0.000995   0.000000
   49  CL 4  S   -0.001868   0.002266   0.000476   0.000476   0.000000
   50  CL 4  X    0.000440   0.001967   0.000482   0.001963   0.000000
   51  CL 4  Y    0.000440   0.001968   0.001963   0.000482   0.000000
   52  CL 4  Z    0.000675   0.002774   0.001619   0.001619   0.000000
   53  CL 4  X    0.002383   0.002475   0.000573   0.003983   0.000000
   54  CL 4  Y    0.002384   0.002477   0.003981   0.000573   0.000000
   55  CL 4  Z    0.001474   0.005970   0.005898   0.005899   0.000001
   56  CL 5  S   -0.000916   0.005182   0.000996   0.000996   0.000000
   57  CL 5  S   -0.001868   0.002266   0.000477   0.000477   0.000000
   58  CL 5  X    0.000440   0.001967   0.000482   0.001964   0.000000
   59  CL 5  Y    0.000440   0.001967   0.001964   0.000482   0.000000
   60  CL 5  Z    0.000676   0.002775   0.001617   0.001617   0.000000
   61  CL 5  X    0.002384   0.002476   0.000574   0.003983   0.000000
   62  CL 5  Y    0.002384   0.002475   0.003983   0.000573   0.000000
   63  CL 5  Z    0.001474   0.005973   0.005895   0.005895   0.000001
   64  CL 6  S   -0.000916   0.005182   0.000995   0.000995   0.000000
   65  CL 6  S   -0.001868   0.002265   0.000476   0.000476   0.000000
   66  CL 6  X    0.000440   0.001968   0.000482   0.001963   0.000000
   67  CL 6  Y    0.000440   0.001967   0.001963   0.000482   0.000000
   68  CL 6  Z    0.000675   0.002774   0.001619   0.001619   0.000000
   69  CL 6  X    0.002383   0.002477   0.000573   0.003981   0.000000
   70  CL 6  Y    0.002383   0.002476   0.003983   0.000573   0.000000
   71  CL 6  Z    0.001474   0.005970   0.005899   0.005898   0.000001

                     26         27         28         29         30

   26  O  2  S    0.531765
   27  O  2  X   -0.000000   0.649223
   28  O  2  Y    0.000000  -0.000000   0.649223
   29  O  2  Z    0.000000  -0.000000   0.000000   0.680255
   30  O  2  S    0.458599  -0.000000  -0.000000   0.000000   0.700083
   31  O  2  X   -0.000000   0.223042   0.000000   0.000000  -0.000000
   32  O  2  Y   -0.000000   0.000000   0.223042   0.000000   0.000000
   33  O  2  Z    0.000000   0.000000   0.000000   0.209403   0.000000
   34  O  2 XX   -0.004853   0.000000  -0.000000   0.000000  -0.006759
   35  O  2 YY   -0.004853  -0.000000  -0.000000   0.000000  -0.006759
   36  O  2 ZZ    0.006402  -0.000000  -0.000000  -0.000000   0.004094
   37  O  2 XY   -0.000000   0.000000   0.000000   0.000000  -0.000000
   38  O  2 XZ   -0.000000  -0.000000  -0.000000   0.000000  -0.000000
   39  O  2 YZ   -0.000000  -0.000000  -0.000000   0.000000  -0.000000
   40  CL 3  S   -0.000000   0.000000   0.000000   0.000000   0.000004
   41  CL 3  S   -0.000003  -0.000014  -0.000014  -0.000009   0.000044
   42  CL 3  X   -0.000000   0.000000   0.000000   0.000000  -0.000001
   43  CL 3  Y   -0.000000   0.000000   0.000000   0.000000  -0.000001
   44  CL 3  Z   -0.000000  -0.000000  -0.000000   0.000000   0.000005
   45  CL 3  X   -0.000009   0.000041   0.000041  -0.000008  -0.000034
   46  CL 3  Y   -0.000009   0.000041   0.000041  -0.000008  -0.000034
   47  CL 3  Z   -0.000033  -0.000109  -0.000109   0.000122   0.000098
   48  CL 4  S   -0.000000   0.000000   0.000000   0.000000   0.000004
   49  CL 4  S   -0.000003  -0.000014  -0.000014  -0.000009   0.000044
   50  CL 4  X   -0.000000   0.000000   0.000000   0.000000  -0.000001
   51  CL 4  Y   -0.000000   0.000000   0.000000   0.000000  -0.000001
   52  CL 4  Z   -0.000000  -0.000000  -0.000000   0.000000   0.000005
   53  CL 4  X   -0.000009   0.000041   0.000041  -0.000008  -0.000034
   54  CL 4  Y   -0.000009   0.000041   0.000041  -0.000008  -0.000034
   55  CL 4  Z   -0.000033  -0.000109  -0.000109   0.000122   0.000098
   56  CL 5  S   -0.000000   0.000000   0.000000   0.000000   0.000004
   57  CL 5  S   -0.000003  -0.000014  -0.000014  -0.000009   0.000044
   58  CL 5  X   -0.000000   0.000000   0.000000   0.000000  -0.000001
   59  CL 5  Y   -0.000000   0.000000   0.000000   0.000000  -0.000001
   60  CL 5  Z   -0.000000  -0.000000  -0.000000   0.000000   0.000005
   61  CL 5  X   -0.000009   0.000041   0.000041  -0.000008  -0.000034
   62  CL 5  Y   -0.000009   0.000041   0.000041  -0.000008  -0.000034
   63  CL 5  Z   -0.000033  -0.000109  -0.000109   0.000122   0.000098
   64  CL 6  S   -0.000000   0.000000   0.000000   0.000000   0.000004
   65  CL 6  S   -0.000003  -0.000014  -0.000014  -0.000009   0.000044
   66  CL 6  X   -0.000000   0.000000   0.000000   0.000000  -0.000001
   67  CL 6  Y   -0.000000   0.000000   0.000000   0.000000  -0.000001
   68  CL 6  Z   -0.000000  -0.000000  -0.000000   0.000000   0.000005
   69  CL 6  X   -0.000009   0.000041   0.000041  -0.000008  -0.000034
   70  CL 6  Y   -0.000009   0.000041   0.000041  -0.000008  -0.000034
   71  CL 6  Z   -0.000033  -0.000109  -0.000109   0.000122   0.000098

                     31         32         33         34         35

   31  O  2  X    0.306190
   32  O  2  Y   -0.000000   0.306190
   33  O  2  Z    0.000000  -0.000000   0.261080
   34  O  2 XX    0.000000  -0.000000   0.000000   0.000409
   35  O  2 YY   -0.000000  -0.000000   0.000000   0.000064   0.000409
   36  O  2 ZZ   -0.000000  -0.000000  -0.000000  -0.000076  -0.000076
   37  O  2 XY    0.000000   0.000000   0.000000   0.000000  -0.000000
   38  O  2 XZ   -0.000000  -0.000000   0.000000  -0.000000   0.000000
   39  O  2 YZ   -0.000000  -0.000000   0.000000  -0.000000   0.000000
   40  CL 3  S    0.000001   0.000001  -0.000006   0.000000   0.000000
   41  CL 3  S   -0.000155  -0.000155  -0.000148   0.000000   0.000000
   42  CL 3  X    0.000020   0.000026   0.000004   0.000000  -0.000000
   43  CL 3  Y    0.000026   0.000020   0.000004  -0.000000   0.000000
   44  CL 3  Z   -0.000055  -0.000055   0.000075  -0.000000  -0.000000
   45  CL 3  X    0.000392   0.000497  -0.000099   0.000005  -0.000005
   46  CL 3  Y    0.000497   0.000392  -0.000099  -0.000005   0.000005
   47  CL 3  Z   -0.001371  -0.001371   0.001576  -0.000002  -0.000002
   48  CL 4  S    0.000001   0.000001  -0.000006   0.000000   0.000000
   49  CL 4  S   -0.000155  -0.000155  -0.000148   0.000000   0.000000
   50  CL 4  X    0.000020   0.000026   0.000004   0.000000  -0.000000
   51  CL 4  Y    0.000026   0.000020   0.000004  -0.000000   0.000000
   52  CL 4  Z   -0.000055  -0.000055   0.000075  -0.000000  -0.000000
   53  CL 4  X    0.000392   0.000497  -0.000099   0.000005  -0.000005
   54  CL 4  Y    0.000497   0.000392  -0.000099  -0.000005   0.000005
   55  CL 4  Z   -0.001371  -0.001371   0.001576  -0.000002  -0.000002
   56  CL 5  S    0.000001   0.000001  -0.000006   0.000000   0.000000
   57  CL 5  S   -0.000155  -0.000155  -0.000148   0.000000   0.000000
   58  CL 5  X    0.000020   0.000026   0.000004   0.000000  -0.000000
   59  CL 5  Y    0.000026   0.000020   0.000004  -0.000000   0.000000
   60  CL 5  Z   -0.000055  -0.000055   0.000075  -0.000000  -0.000000
   61  CL 5  X    0.000392   0.000497  -0.000099   0.000005  -0.000005
   62  CL 5  Y    0.000497   0.000392  -0.000099  -0.000005   0.000005
   63  CL 5  Z   -0.001371  -0.001371   0.001576  -0.000002  -0.000002
   64  CL 6  S    0.000001   0.000001  -0.000006   0.000000   0.000000
   65  CL 6  S   -0.000155  -0.000155  -0.000148   0.000000   0.000000
   66  CL 6  X    0.000020   0.000026   0.000004   0.000000  -0.000000
   67  CL 6  Y    0.000026   0.000020   0.000004  -0.000000   0.000000
   68  CL 6  Z   -0.000055  -0.000055   0.000075  -0.000000  -0.000000
   69  CL 6  X    0.000392   0.000497  -0.000099   0.000005  -0.000005
   70  CL 6  Y    0.000497   0.000392  -0.000099  -0.000005   0.000005
   71  CL 6  Z   -0.001371  -0.001371   0.001576  -0.000002  -0.000002

                     36         37         38         39         40

   36  O  2 ZZ    0.003914
   37  O  2 XY    0.000000   0.000028
   38  O  2 XZ   -0.000000   0.000000   0.001993
   39  O  2 YZ    0.000000  -0.000000   0.000000   0.001993
   40  CL 3  S   -0.000000  -0.000000   0.000000   0.000000   0.714610
   41  CL 3  S   -0.000002  -0.000001  -0.000001  -0.000001   0.420715
   42  CL 3  X   -0.000000   0.000000   0.000000   0.000000   0.000000
   43  CL 3  Y   -0.000000   0.000000   0.000000   0.000000   0.000000
   44  CL 3  Z    0.000000   0.000000  -0.000000  -0.000000  -0.000000
   45  CL 3  X   -0.000010   0.000002   0.000003   0.000002   0.000000
   46  CL 3  Y   -0.000010   0.000002   0.000002   0.000003  -0.000000
   47  CL 3  Z    0.000006   0.000007  -0.000011  -0.000011  -0.000000
   48  CL 4  S   -0.000000  -0.000000   0.000000   0.000000  -0.000000
   49  CL 4  S   -0.000002  -0.000001  -0.000001  -0.000001  -0.000032
   50  CL 4  X   -0.000000   0.000000   0.000000   0.000000  -0.000001
   51  CL 4  Y   -0.000000   0.000000   0.000000   0.000000   0.000000
   52  CL 4  Z    0.000000   0.000000  -0.000000  -0.000000   0.000000
   53  CL 4  X   -0.000010   0.000002   0.000003   0.000002  -0.000445
   54  CL 4  Y   -0.000010   0.000002   0.000002   0.000003   0.000000
   55  CL 4  Z    0.000006   0.000007  -0.000011  -0.000011   0.000000
   56  CL 5  S   -0.000000  -0.000000   0.000000   0.000000  -0.000000
   57  CL 5  S   -0.000002  -0.000001  -0.000001  -0.000001  -0.000000
   58  CL 5  X   -0.000000   0.000000   0.000000   0.000000  -0.000000
   59  CL 5  Y   -0.000000   0.000000   0.000000   0.000000  -0.000000
   60  CL 5  Z    0.000000   0.000000  -0.000000  -0.000000  -0.000000
   61  CL 5  X   -0.000010   0.000002   0.000003   0.000002  -0.000001
   62  CL 5  Y   -0.000010   0.000002   0.000002   0.000003  -0.000001
   63  CL 5  Z    0.000006   0.000007  -0.000011  -0.000011  -0.000000
   64  CL 6  S   -0.000000  -0.000000   0.000000   0.000000  -0.000000
   65  CL 6  S   -0.000002  -0.000001  -0.000001  -0.000001  -0.000032
   66  CL 6  X   -0.000000   0.000000   0.000000   0.000000   0.000000
   67  CL 6  Y   -0.000000   0.000000   0.000000   0.000000  -0.000001
   68  CL 6  Z    0.000000   0.000000  -0.000000  -0.000000   0.000000
   69  CL 6  X   -0.000010   0.000002   0.000003   0.000002   0.000000
   70  CL 6  Y   -0.000010   0.000002   0.000002   0.000003  -0.000445
   71  CL 6  Z    0.000006   0.000007  -0.000011  -0.000011   0.000000

                     41         42         43         44         45

   41  CL 3  S    0.351481
   42  CL 3  X    0.000000   0.485158
   43  CL 3  Y   -0.000000   0.000000   0.485158
   44  CL 3  Z   -0.000000   0.000000  -0.000000   0.492232
   45  CL 3  X   -0.000000   0.343146   0.000000   0.000000   0.601149
   46  CL 3  Y   -0.000000   0.000000   0.343146   0.000000  -0.000000
   47  CL 3  Z   -0.000000   0.000000   0.000000   0.352887  -0.000000
   48  CL 4  S   -0.000032  -0.000001  -0.000000  -0.000000  -0.000445
   49  CL 4  S   -0.000162  -0.000212  -0.000000  -0.000000  -0.002748
   50  CL 4  X   -0.000212  -0.000002  -0.000000  -0.000000  -0.000721
   51  CL 4  Y    0.000000   0.000000   0.000000  -0.000000   0.000000
   52  CL 4  Z    0.000000   0.000000  -0.000000  -0.000000   0.000000
   53  CL 4  X   -0.002748  -0.000721  -0.000000  -0.000000  -0.006250
   54  CL 4  Y    0.000000   0.000000   0.000019  -0.000000  -0.000000
   55  CL 4  Z    0.000000   0.000000  -0.000000  -0.000038   0.000000
   56  CL 5  S   -0.000000  -0.000000  -0.000000   0.000000  -0.000001
   57  CL 5  S   -0.000003  -0.000000  -0.000000   0.000000  -0.000013
   58  CL 5  X   -0.000000  -0.000000  -0.000000   0.000000   0.000000
   59  CL 5  Y   -0.000000  -0.000000  -0.000000   0.000000  -0.000001
   60  CL 5  Z   -0.000000  -0.000000  -0.000000  -0.000000  -0.000000
   61  CL 5  X   -0.000013   0.000000  -0.000001   0.000000   0.000040
   62  CL 5  Y   -0.000013  -0.000001   0.000000   0.000000  -0.000084
   63  CL 5  Z   -0.000000  -0.000000  -0.000000  -0.000000  -0.000000
   64  CL 6  S   -0.000032  -0.000000  -0.000001  -0.000000  -0.000000
   65  CL 6  S   -0.000162  -0.000000  -0.000212  -0.000000  -0.000000
   66  CL 6  X    0.000000   0.000000   0.000000  -0.000000   0.000019
   67  CL 6  Y   -0.000212  -0.000000  -0.000002  -0.000000  -0.000000
   68  CL 6  Z    0.000000  -0.000000   0.000000  -0.000000  -0.000000
   69  CL 6  X    0.000000   0.000019   0.000000  -0.000000   0.000553
   70  CL 6  Y   -0.002748  -0.000000  -0.000721  -0.000000   0.000000
   71  CL 6  Z    0.000000  -0.000000   0.000000  -0.000038  -0.000000

                     46         47         48         49         50

   46  CL 3  Y    0.601149
   47  CL 3  Z   -0.000000   0.623185
   48  CL 4  S   -0.000000  -0.000000   0.714609
   49  CL 4  S   -0.000000  -0.000000   0.420715   0.351480
   50  CL 4  X   -0.000000  -0.000000  -0.000000  -0.000000   0.485160
   51  CL 4  Y    0.000019  -0.000000  -0.000000   0.000000  -0.000000
   52  CL 4  Z   -0.000000  -0.000038  -0.000000   0.000000  -0.000000
   53  CL 4  X    0.000000  -0.000000  -0.000000  -0.000000   0.343148
   54  CL 4  Y    0.000553  -0.000000  -0.000000  -0.000000   0.000000
   55  CL 4  Z   -0.000000  -0.000651  -0.000000  -0.000000   0.000000
   56  CL 5  S   -0.000001   0.000000  -0.000000  -0.000032  -0.000000
   57  CL 5  S   -0.000013   0.000000  -0.000032  -0.000162  -0.000000
   58  CL 5  X   -0.000001   0.000000   0.000000   0.000000   0.000000
   59  CL 5  Y    0.000000   0.000000  -0.000001  -0.000212  -0.000000
   60  CL 5  Z   -0.000000  -0.000000   0.000000   0.000000  -0.000000
   61  CL 5  X   -0.000084   0.000000   0.000000   0.000000   0.000019
   62  CL 5  Y    0.000040   0.000000  -0.000445  -0.002748  -0.000000
   63  CL 5  Z   -0.000000  -0.000022   0.000000   0.000000  -0.000000
   64  CL 6  S   -0.000445  -0.000000  -0.000000  -0.000000  -0.000000
   65  CL 6  S   -0.002748  -0.000000  -0.000000  -0.000003  -0.000000
   66  CL 6  X    0.000000  -0.000000  -0.000000  -0.000000  -0.000000
   67  CL 6  Y   -0.000721  -0.000000  -0.000000  -0.000000  -0.000000
   68  CL 6  Z    0.000000  -0.000038  -0.000000   0.000000  -0.000000
   69  CL 6  X   -0.000000  -0.000000  -0.000001  -0.000013   0.000000
   70  CL 6  Y   -0.006250  -0.000000  -0.000001  -0.000013  -0.000001
   71  CL 6  Z    0.000000  -0.000651  -0.000000  -0.000000  -0.000000

                     51         52         53         54         55

   51  CL 4  Y    0.485157
   52  CL 4  Z   -0.000000   0.492229
   53  CL 4  X    0.000000   0.000000   0.601154
   54  CL 4  Y    0.343146   0.000000  -0.000000   0.601149
   55  CL 4  Z    0.000000   0.352885  -0.000000  -0.000000   0.623181
   56  CL 5  S   -0.000001  -0.000000  -0.000000  -0.000445  -0.000000
   57  CL 5  S   -0.000212  -0.000000  -0.000000  -0.002748  -0.000000
   58  CL 5  X    0.000000  -0.000000   0.000019   0.000000  -0.000000
   59  CL 5  Y   -0.000002  -0.000000  -0.000000  -0.000721  -0.000000
   60  CL 5  Z    0.000000  -0.000000  -0.000000   0.000000  -0.000038
   61  CL 5  X    0.000000  -0.000000   0.000553  -0.000000  -0.000000
   62  CL 5  Y   -0.000721  -0.000000   0.000000  -0.006250  -0.000000
   63  CL 5  Z    0.000000  -0.000038  -0.000000   0.000000  -0.000651
   64  CL 6  S   -0.000000  -0.000000  -0.000001  -0.000001  -0.000000
   65  CL 6  S   -0.000000   0.000000  -0.000013  -0.000013  -0.000000
   66  CL 6  X   -0.000000   0.000000   0.000000  -0.000001  -0.000000
   67  CL 6  Y   -0.000000   0.000000  -0.000001   0.000000  -0.000000
   68  CL 6  Z   -0.000000  -0.000000  -0.000000  -0.000000  -0.000000
   69  CL 6  X   -0.000001  -0.000000   0.000040  -0.000084   0.000000
   70  CL 6  Y    0.000000  -0.000000  -0.000084   0.000040   0.000000
   71  CL 6  Z   -0.000000  -0.000000  -0.000000  -0.000000  -0.000022

                     56         57         58         59         60

   56  CL 5  S    0.714609
   57  CL 5  S    0.420715   0.351480
   58  CL 5  X   -0.000000  -0.000000   0.485159
   59  CL 5  Y   -0.000000   0.000000  -0.000000   0.485159
   60  CL 5  Z   -0.000000  -0.000000  -0.000000  -0.000000   0.492226
   61  CL 5  X   -0.000000  -0.000000   0.343148   0.000000   0.000000
   62  CL 5  Y   -0.000000  -0.000000   0.000000   0.343148   0.000000
   63  CL 5  Z   -0.000000  -0.000000   0.000000   0.000000   0.352883
   64  CL 6  S   -0.000000  -0.000032  -0.000001   0.000000   0.000000
   65  CL 6  S   -0.000032  -0.000162  -0.000212   0.000000   0.000000
   66  CL 6  X   -0.000001  -0.000212  -0.000002   0.000000   0.000000
   67  CL 6  Y   -0.000000  -0.000000  -0.000000   0.000000  -0.000000
   68  CL 6  Z   -0.000000  -0.000000  -0.000000  -0.000000  -0.000000
   69  CL 6  X   -0.000445  -0.002748  -0.000721   0.000000   0.000000
   70  CL 6  Y   -0.000000  -0.000000  -0.000000   0.000019  -0.000000
   71  CL 6  Z   -0.000000  -0.000000  -0.000000  -0.000000  -0.000038

                     61         62         63         64         65

   61  CL 5  X    0.601155
   62  CL 5  Y   -0.000000   0.601154
   63  CL 5  Z   -0.000000   0.000000   0.623178
   64  CL 6  S   -0.000445   0.000000   0.000000   0.714609
   65  CL 6  S   -0.002748   0.000000   0.000000   0.420714   0.351480
   66  CL 6  X   -0.000721   0.000000   0.000000   0.000000   0.000000
   67  CL 6  Y   -0.000000   0.000019  -0.000000  -0.000000   0.000000
   68  CL 6  Z   -0.000000  -0.000000  -0.000038  -0.000000   0.000000
   69  CL 6  X   -0.006250  -0.000000   0.000000  -0.000000  -0.000000
   70  CL 6  Y    0.000000   0.000553  -0.000000   0.000000   0.000000
   71  CL 6  Z   -0.000000  -0.000000  -0.000651  -0.000000  -0.000000

                     66         67         68         69         70

   66  CL 6  X    0.485157
   67  CL 6  Y   -0.000000   0.485160
   68  CL 6  Z    0.000000   0.000000   0.492229
   69  CL 6  X    0.343145   0.000000   0.000000   0.601147
   70  CL 6  Y    0.000000   0.343148   0.000000  -0.000000   0.601154
   71  CL 6  Z    0.000000   0.000000   0.352885   0.000000   0.000000

                     71

   71  CL 6  Z    0.623181

               ----- POPULATIONS IN EACH AO -----
                             MULLIKEN      LOWDIN
              1  MO 1  S      2.10299     0.76725
              2  MO 1  S      0.10148     0.69363
              3  MO 1  S      0.05391     0.15685
              4  MO 1  X      2.00199     1.97584
              5  MO 1  Y      2.00199     1.97584
              6  MO 1  Z      2.00533     1.90412
              7  MO 1  X      0.21429     0.32587
              8  MO 1  Y      0.21429     0.32587
              9  MO 1  Z      0.08845     0.23273
             10  MO 1  X      0.06933     0.14133
             11  MO 1  Y      0.06933     0.14133
             12  MO 1  Z      0.07799     0.11203
             13  MO 1 XX      0.94626     1.14701
             14  MO 1 YY      0.94626     1.14701
             15  MO 1 ZZ      0.46900     0.63194
             16  MO 1 XY      0.40634     0.36646
             17  MO 1 XZ      0.45144     0.40451
             18  MO 1 YZ      0.45144     0.40451
             19  MO 1 XX      0.22375     0.37654
             20  MO 1 YY      0.22375     0.37654
             21  MO 1 ZZ     -0.00947     0.16030
             22  MO 1 XY      0.15175     0.41268
             23  MO 1 XZ      0.16347     0.30273
             24  MO 1 YZ      0.16347     0.30273
             25  O  2  S      1.99269     1.97719
             26  O  2  S      0.93796     0.75932
             27  O  2  X      0.91564     0.87446
             28  O  2  Y      0.91564     0.87446
             29  O  2  Z      0.96083     0.93897
             30  O  2  S      1.05050     0.48927
             31  O  2  X      0.62525     0.63615
             32  O  2  Y      0.62525     0.63615
             33  O  2  Z      0.47187     0.59422
             34  O  2 XX     -0.01090     0.17634
             35  O  2 YY     -0.01090     0.17634
             36  O  2 ZZ      0.02463     0.21583
             37  O  2 XY      0.00022     0.00033
             38  O  2 XZ      0.00656     0.00992
             39  O  2 YZ      0.00656     0.00992
             40  CL 3  S      1.15813     1.01953
             41  CL 3  S      0.77442     0.73545
             42  CL 3  X      0.84917     0.85610
             43  CL 3  Y      0.84917     0.85610
             44  CL 3  Z      0.86046     0.87070
             45  CL 3  X      0.98099     0.94693
             46  CL 3  Y      0.98099     0.94693
             47  CL 3  Z      1.02151     0.97964
             48  CL 4  S      1.15813     1.01953
             49  CL 4  S      0.77442     0.73545
             50  CL 4  X      0.84917     0.85610
             51  CL 4  Y      0.84917     0.85610
             52  CL 4  Z      0.86046     0.87070
             53  CL 4  X      0.98099     0.94694
             54  CL 4  Y      0.98099     0.94693
             55  CL 4  Z      1.02151     0.97964
             56  CL 5  S      1.15813     1.01953
             57  CL 5  S      0.77442     0.73545
             58  CL 5  X      0.84917     0.85610
             59  CL 5  Y      0.84917     0.85610
             60  CL 5  Z      0.86045     0.87069
             61  CL 5  X      0.98100     0.94694
             62  CL 5  Y      0.98100     0.94694
             63  CL 5  Z      1.02151     0.97964
             64  CL 6  S      1.15813     1.01953
             65  CL 6  S      0.77442     0.73545
             66  CL 6  X      0.84917     0.85609
             67  CL 6  Y      0.84918     0.85610
             68  CL 6  Z      0.86046     0.87070
             69  CL 6  X      0.98099     0.94693
             70  CL 6  Y      0.98099     0.94694
             71  CL 6  Z      1.02151     0.97964

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

             1           2           3           4           5

    1   12.3549121
    2    0.3106648   8.2009872
    3    0.2308049   0.0000397   7.2739091
    4    0.2308093   0.0000397  -0.0148705   7.2739069
    5    0.2308117   0.0000397  -0.0001724  -0.0148695   7.2739079
    6    0.2308129   0.0000398  -0.0148706  -0.0001725  -0.0148696

             6

    6    7.2739019

          TOTAL MULLIKEN AND LOWDIN ATOMIC POPULATIONS
       ATOM         MULL.POP.                    LOW.POP.

          TOTAL MULLIKEN AND LOWDIN ATOMIC POPULATIONS
       ATOM         MULL.POP.    CHARGE          LOW.POP.     CHARGE
    1 MO           13.588816                    14.785636
    1 MO           13.588816    0.411184        14.785636   -0.785636
    2 O             8.511811                     8.368842
    2 O             8.511811   -0.511811         8.368842   -0.368842
    3 CL            7.474840                     7.211373
    3 CL            7.474840   -0.474840         7.211373   -0.211373
    4 CL            7.474844                     7.211380
    4 CL            7.474844   -0.474844         7.211380   -0.211380
    5 CL            7.474848                     7.211389
    5 CL            7.474848   -0.474848         7.211389   -0.211389
    6 CL            7.474842                     7.211380
    6 CL            7.474842   -0.474842         7.211380   -0.211380

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

                   BOND                       BOND                       BOND
  ATOM PAIR DIST  ORDER      ATOM PAIR DIST  ORDER      ATOM PAIR DIST  ORDER
    1   2  1.690  2.040        1   3  2.523  0.825        1   4  2.523  0.825
    1   5  2.523  0.824        1   6  2.523  0.825

                       TOTAL       BONDED        FREE
      ATOM            VALENCE     VALENCE     VALENCE
    1 MO                5.338       5.338      -0.000
    2 O                 2.180       2.180       0.000
    3 CL                0.881       0.881       0.000
    4 CL                0.881       0.881      -0.000
    5 CL                0.881       0.881       0.000
    6 CL                0.881       0.881       0.000

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

 POINT   1           X           Y           Z (BOHR)    CHARGE
                 0.000644   -0.000644   -0.442327       -2.00 (A.U.)
         DX          DY          DZ         /D/  (DEBYE)
     0.000013    0.000004    1.364628    1.364628
 ...... END OF PROPERTY EVALUATION ......
 CPU     0: STEP CPU TIME=     0.01 TOTAL CPU TIME=        7.6 (    0.1 MIN)
 TOTAL WALL CLOCK TIME=        9.1 SECONDS, CPU UTILIZATION IS  83.50%

 AN AIMPAC INPUT FILE IS BEING WRITTEN TO FILE   7

               580000  WORDS OF DYNAMIC MEMORY USED
 EXECUTION OF GAMESS TERMINATED NORMALLY Mon Aug 14 12:30:19 2017
 DDI: 263640 bytes (0.3 MB / 0 MWords) used by master data server.

 ----------------------------------------
 CPU timing information for all processes
 ========================================
 0: 7.552 + 0.100 = 7.652
 1: 7.520 + 0.112 = 7.632
 2: 7.372 + 0.136 = 7.508
 3: 7.304 + 0.88 = 7.392
 ----------------------------------------
 ddikick.x: exited gracefully.
----- accounting info -----
Files used on the master node firzens were:
-rw-r--r-- 1 sagar sagar     6580 Aug 14 12:30 /scr/sagar/MoOCl4-sp.F05
-rw-rw-r-- 1 sagar sagar  7740688 Aug 14 12:30 /scr/sagar/MoOCl4-sp.F08
-rw-rw-r-- 1 sagar sagar  9000800 Aug 14 12:30 /scr/sagar/MoOCl4-sp.F08.001
-rw-rw-r-- 1 sagar sagar 10440928 Aug 14 12:30 /scr/sagar/MoOCl4-sp.F08.002
-rw-rw-r-- 1 sagar sagar  7740688 Aug 14 12:30 /scr/sagar/MoOCl4-sp.F08.003
-rw-rw-r-- 1 sagar sagar  1799600 Aug 14 12:30 /scr/sagar/MoOCl4-sp.F10
Mon Aug 14 12:30:22 IST 2017
0.104u 0.012s 0:12.31 0.8%	0+0k 0+24io 0pf+0w