File: dvb_sphf.out

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 MPP nodes  nproc
 leo          1
 ga_uses_ma=false, calling ma_init with nominal heap.
 GA-space will be limited to   8.0 MW (determined by -G option)

 Primary working directories:    /scratch/langner
 Secondary working directories:  /scratch/langner
 
 CPU=
 ia64 1500.000000:1500.000000:1500.000000:1500.000000:1500.000000:1500.000000:15
 00.000000:1500.000000:1500.000000:1500.000000:1500.000 MHz

 MPP tuning parameters: Latency=     0 Microseconds,   Broadcast speed=    0 MB/sec
 default implementation of scratch files=df  

 ***,divinylbenzene sp scf
 gprint,basis,orbital
 basis=sto-3g
 geometry={nosym,angstrom;
  x1
  c   1 cxx2
  c   1 cxx3       2   60.000
  c   1 cxx4       3   60.000     2 180.000
  c   1 cxx2       4   60.000     3 180.000
  c   1 cxx3       5   60.000     4 180.000
  c   1 cxx4       6   60.000     5 180.000
  c   2 cc8        3 ccc8         4 180.000
  c   5 cc8        6 ccc8         7 180.000
  h   7 hc10       2 hcc10        1 180.000
  h   4 hc10       5 hcc10        1 180.000
  h   3 hc12       2 hcc12        1 180.000
  h   6 hc12       5 hcc12        1 180.000
  c   8 cc14       2 ccc14        3 180.000
  c   9 cc14       5 ccc14        6 180.000
  h   8 hc16       2 hcc16        3   0.000
  h   9 hc16       5 hcc16        6   0.000
  h  15 hc18       9 hcc18        5 180.000
  h  14 hc18       8 hcc18        2 180.000
  h  15 hc20       9 hcc20        5   0.000
  h  14 hc20       8 hcc20        2   0.000
 }
 cxx2=       1.430000
 cxx3=       1.403000
 cxx4=       1.409000
 cc8=        1.450000
 ccc8=       120.000
 hc10=       1.097000
 hcc10=      120.000
 hc12=       1.098720
 hcc12=      120.000
 cc14=       1.342300
 ccc14=      120.000
 hc16=       1.100000
 hcc16=      120.000
 hc18=       1.096600
 hcc18=      109.471
 hc20=       1.095900
 hcc20=      126.000
  
 hf
 orbprint,9999
 {matrop
 load,s
 print,s}

 Variables initialized (517), CPU time= 0.00 sec
 Commands  initialized (293), CPU time= 0.02 sec, 436 directives.
 Default parameters read. Elapsed time= 0.08 sec
 Checking input...
 Passed
1


                                         ***  PROGRAM SYSTEM MOLPRO  ***
                         Copyright, University College Cardiff Consultants Limited, 2004

                                    Version 2006.1 linked 14 Jun 2007 10:29:35


 **********************************************************************************************************************************
 LABEL *   divinylbenzene sp scf                                                         
 Linux-2.6.5-7.283-sn2/leo(ia64) 64 bit mpp version (ifort9.1/scs_i8)                    DATE:  23-Jun-07         TIME: 23:30:06  
 **********************************************************************************************************************************

 Installed patches: acml acml_mv arch_ia64_2 bccd_save bench_nocheck2 bench_verybig
                    blas0_cgemm bug1253 bug1292 bug1295 casvb_data citation
                    cleanup_files cpp_lmax cube cube_delta_oprd dma_nuclear dmp2fix2
                    find_print fix1184 fix1187-9 fix1191 fix1234 fix1237b
                    fix1239 fix1246 fix1249 fix1251 fix1255 fix1315
                    fix1326 fix1326a fix1327 fix1331 fix1348 fix1366
                    fix1369 fix1370 fix1371 fix1399 fix1408 fix766b
                    fujitsu_fflush ga_version get_occsym getoptlong grep_makerc h2_example
                    ia64tuning ibm_ldip ifort64 kallay_url2 latex2html lhf_hybrid
                    mac_g95 makerc_mkl mcfrozen2 mcscf_hessian mkl9 mpiexec
                    mpirunenv4 mppbench_nocheck mppx_fence mrcc_nofci nec_config optg_directives
                    ppc64_parse sapt_bugfix2 sapt_icpks subcitrdm_format sysinfoa testjob_report
                    tru64_1 tru64_parse2 uhf_conv xt3_gcc
 **********************************************************************************************************************************


 Variable memory set to  200000000 words,  buffer space   230000 words
 
 SETTING BASIS          =    STO-3G
 SETTING CXX2           =         1.43000000                                  
 SETTING CXX3           =         1.40300000                                  
 SETTING CXX4           =         1.40900000                                  
 SETTING CC8            =         1.45000000                                  
 SETTING CCC8           =       120.00000000                                  
 SETTING HC10           =         1.09700000                                  
 SETTING HCC10          =       120.00000000                                  
 SETTING HC12           =         1.09872000                                  
 SETTING HCC12          =       120.00000000                                  
 SETTING CC14           =         1.34230000                                  
 SETTING CCC14          =       120.00000000                                  
 SETTING HC16           =         1.10000000                                  
 SETTING HCC16          =       120.00000000                                  
 SETTING HC18           =         1.09660000                                  
 SETTING HCC18          =       109.47100000                                  
 SETTING HC20           =         1.09590000                                  
 SETTING HCC20          =       126.00000000                                  


 Recomputing integrals since basis changed


 Using spherical harmonics

 Library entry C      S STO-3G               selected for orbital group  1
 Library entry C      P STO-3G               selected for orbital group  1
 Library entry H      S STO-3G               selected for orbital group  2

1PROGRAM * SEWARD (Integral evaluation for generally contracted gaussian basis sets)     Author: Roland Lindh, 1990

 Geometry written to block  1 of record 700

 Orientation using atomic masses  
 Molecule type: Asymmetric top,     Order of principal axis = 2
 Rotational constants:       4.5175472      0.7291343      0.6278061 GHz

 Point group  C1  



 ATOMIC COORDINATES

 NR  ATOM    CHARGE       X              Y              Z

   1  C       6.00    2.651107080    0.523546236    0.000000000
   2  C       6.00    0.855682047    2.509406975    0.000000000
   3  C       6.00   -1.752833324    2.004280785    0.000000000
   4  C       6.00   -2.651107080   -0.523546236    0.000000000
   5  C       6.00   -0.855682047   -2.509406975    0.000000000
   6  C       6.00    1.752833324   -2.004280785    0.000000000
   7  C       6.00    5.330164351    1.098711304    0.000000000
   8  C       6.00   -5.330164351   -1.098711304    0.000000000
   9  C       6.00    7.031308534   -0.782868479    0.000000000
  10  C       6.00   -7.031308534    0.782868479    0.000000000
  11  H       1.00    3.097427459   -3.582101290    0.000000000
  12  H       1.00   -3.097427459    3.582101290    0.000000000
  13  H       1.00    1.493258712    4.485370929    0.000000000
  14  H       1.00   -1.493258712   -4.485370929    0.000000000
  15  H       1.00    5.968483787    3.076977240    0.000000000
  16  H       1.00   -5.968483787   -3.076977240    0.000000000
  17  H       1.00   -8.943814497   -0.015027804    0.000000000
  18  H       1.00    8.943814497    0.015027804    0.000000000
  19  H       1.00   -6.604866389    2.809437980    0.000000000
  20  H       1.00    6.604866389   -2.809437980    0.000000000

 Bond lengths in Bohr (Angstrom)

  1- 2  2.677161542   1- 6  2.682686189   1- 7  2.740102683   2- 3  2.656972884   2-13  2.076279738
       (1.416692980)       (1.419616498)       (1.450000000)       (1.406009602)       (1.098720000)

  3- 4  2.682686189   3-12  2.073029409   4- 5  2.677161542   4- 8  2.740102683   5- 6  2.656972884
       (1.419616498)       (1.097000000)       (1.416692980)       (1.450000000)       (1.406009602)

  5-14  2.076279738   6-11  2.073029409   7- 9  2.536579194   7-15  2.078698587   8-10  2.536579194
       (1.098720000)       (1.097000000)       (1.342300000)       (1.100000000)       (1.342300000)

  8-16  2.078698587   9-18  2.072273519   9-20  2.070950711  10-17  2.072273519  10-19  2.070950711
       (1.100000000)       (1.096600000)       (1.095900000)       (1.096600000)       (1.095900000)

 Bond angles

  1- 2- 3  121.15746356   1- 2-13  120.00000000   1- 6- 5  120.52228233   1- 6-11  120.00000000

  1- 7- 9  120.00000000   1- 7-15  120.00000000   2- 1- 6  118.32025410   2- 1- 7  120.00000000

  2- 3- 4  120.52228233   2- 3-12  119.47771767   3- 2-13  118.84253644   3- 4- 5  118.32025410

  3- 4- 8  121.67974590   4- 3-12  120.00000000   4- 5- 6  121.15746356   4- 5-14  120.00000000

  4- 8-10  120.00000000   4- 8-16  120.00000000   5- 4- 8  120.00000000   5- 6-11  119.47771767

  6- 1- 7  121.67974590   6- 5-14  118.84253644   7- 9-18  109.47100000   7- 9-20  126.00000000

  8-10-17  109.47100000   8-10-19  126.00000000   9- 7-15  120.00000000  10- 8-16  120.00000000

 17-10-19  124.52900000  18- 9-20  124.52900000


 BASIS DATA

   Nr Sym  Nuc  Type         Exponents   Contraction coefficients

   1.1 A     1  1s           71.616837     0.154329
                             13.045096     0.535328
                              3.530512     0.444635
   2.1 A     1  1s            2.941249    -0.099967
                              0.683483     0.399513
                              0.222290     0.700115
   3.1 A     1  2px           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
   4.1 A     1  2py           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
   5.1 A     1  2pz           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
   6.1 A     2  1s           71.616837     0.154329
                             13.045096     0.535328
                              3.530512     0.444635
   7.1 A     2  1s            2.941249    -0.099967
                              0.683483     0.399513
                              0.222290     0.700115
   8.1 A     2  2px           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
   9.1 A     2  2py           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  10.1 A     2  2pz           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  11.1 A     3  1s           71.616837     0.154329
                             13.045096     0.535328
                              3.530512     0.444635
  12.1 A     3  1s            2.941249    -0.099967
                              0.683483     0.399513
                              0.222290     0.700115
  13.1 A     3  2px           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  14.1 A     3  2py           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  15.1 A     3  2pz           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  16.1 A     4  1s           71.616837     0.154329
                             13.045096     0.535328
                              3.530512     0.444635
  17.1 A     4  1s            2.941249    -0.099967
                              0.683483     0.399513
                              0.222290     0.700115
  18.1 A     4  2px           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  19.1 A     4  2py           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  20.1 A     4  2pz           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  21.1 A     5  1s           71.616837     0.154329
                             13.045096     0.535328
                              3.530512     0.444635
  22.1 A     5  1s            2.941249    -0.099967
                              0.683483     0.399513
                              0.222290     0.700115
  23.1 A     5  2px           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  24.1 A     5  2py           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  25.1 A     5  2pz           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  26.1 A     6  1s           71.616837     0.154329
                             13.045096     0.535328
                              3.530512     0.444635
  27.1 A     6  1s            2.941249    -0.099967
                              0.683483     0.399513
                              0.222290     0.700115
  28.1 A     6  2px           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  29.1 A     6  2py           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  30.1 A     6  2pz           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  31.1 A     7  1s           71.616837     0.154329
                             13.045096     0.535328
                              3.530512     0.444635
  32.1 A     7  1s            2.941249    -0.099967
                              0.683483     0.399513
                              0.222290     0.700115
  33.1 A     7  2px           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  34.1 A     7  2py           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  35.1 A     7  2pz           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  36.1 A     8  1s           71.616837     0.154329
                             13.045096     0.535328
                              3.530512     0.444635
  37.1 A     8  1s            2.941249    -0.099967
                              0.683483     0.399513
                              0.222290     0.700115
  38.1 A     8  2px           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  39.1 A     8  2py           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  40.1 A     8  2pz           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  41.1 A     9  1s           71.616837     0.154329
                             13.045096     0.535328
                              3.530512     0.444635
  42.1 A     9  1s            2.941249    -0.099967
                              0.683483     0.399513
                              0.222290     0.700115
  43.1 A     9  2px           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  44.1 A     9  2py           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  45.1 A     9  2pz           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  46.1 A    10  1s           71.616837     0.154329
                             13.045096     0.535328
                              3.530512     0.444635
  47.1 A    10  1s            2.941249    -0.099967
                              0.683483     0.399513
                              0.222290     0.700115
  48.1 A    10  2px           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  49.1 A    10  2py           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  50.1 A    10  2pz           2.941249     0.155916
                              0.683483     0.607684
                              0.222290     0.391957
  51.1 A    11  1s            3.425251     0.154329
                              0.623914     0.535328
                              0.168855     0.444635
  52.1 A    12  1s            3.425251     0.154329
                              0.623914     0.535328
                              0.168855     0.444635
  53.1 A    13  1s            3.425251     0.154329
                              0.623914     0.535328
                              0.168855     0.444635
  54.1 A    14  1s            3.425251     0.154329
                              0.623914     0.535328
                              0.168855     0.444635
  55.1 A    15  1s            3.425251     0.154329
                              0.623914     0.535328
                              0.168855     0.444635
  56.1 A    16  1s            3.425251     0.154329
                              0.623914     0.535328
                              0.168855     0.444635
  57.1 A    17  1s            3.425251     0.154329
                              0.623914     0.535328
                              0.168855     0.444635
  58.1 A    18  1s            3.425251     0.154329
                              0.623914     0.535328
                              0.168855     0.444635
  59.1 A    19  1s            3.425251     0.154329
                              0.623914     0.535328
                              0.168855     0.444635
  60.1 A    20  1s            3.425251     0.154329
                              0.623914     0.535328
                              0.168855     0.444635

 NUCLEAR CHARGE:                   70
 NUMBER OF PRIMITIVE AOS:         180
 NUMBER OF SYMMETRY AOS:          180
 NUMBER OF CONTRACTIONS:           60   (  60A   )
 NUMBER OF CORE ORBITALS:          10   (  10A   )
 NUMBER OF VALENCE ORBITALS:       50   (  50A   )


 NUCLEAR REPULSION ENERGY  452.43145287

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

 Eigenvalues of metric

         1 0.178E+00 0.185E+00 0.189E+00 0.214E+00 0.221E+00 0.244E+00 0.260E+00 0.281E+00
 

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

     5.767 MB (compressed) written to integral file ( 42.5%)

     Node minimum: 5.767 MB, node maximum: 5.767 MB
 

 NUMBER OF SORTED TWO-ELECTRON INTEGRALS:    1675365.     BUFFER LENGTH:  32768
 NUMBER OF SEGMENTS:   1  SEGMENT LENGTH:    1675365      RECORD LENGTH: 524288

 Memory used in sort:       2.23 MW

 SORT1 READ    1716680. AND WROTE     795052. INTEGRALS IN    3 RECORDS. CPU TIME:     0.11 SEC, REAL TIME:     0.16 SEC
 SORT2 READ     795052. AND WROTE    1675365. INTEGRALS IN   22 RECORDS. CPU TIME:     0.14 SEC, REAL TIME:     0.20 SEC

 Node minimum:    1675365.  Node maximum:    1675365. integrals

 OPERATOR DM      FOR CENTER  0  COORDINATES:    0.000000    0.000000    0.000000


 **********************************************************************************************************************************
 DATASETS  * FILE   NREC   LENGTH (MB)   RECORD NAMES
              1      19        5.38       500      610      700      900      950      970     1000     1100     1400     1410   
                                          VAR    BASINP    GEOM    SYMINP    ZMAT    AOBASIS   BASIS      S        T        V 
                                         1200     1210     1080     1600      129      960     1650     1300     1700   
                                          H0       H01     AOSYM     SMH      P2S    ABASIS   MOLCAS    ERIS     OPER   
 
 PROGRAMS   *        TOTAL       INT
 CPU TIMES  *         2.54      2.43
 REAL TIME  *         3.35 SEC
 DISK USED  *        20.44 MB      
 **********************************************************************************************************************************

1PROGRAM * RHF-SCF (CLOSED SHELL)       Authors: W. Meyer, H.-J. Werner


 NUMBER OF ELECTRONS:      35+   35-
 CONVERGENCE THRESHOLDS:    1.00E-05 (Density)    1.40E-07 (Energy)
 MAX. NUMBER OF ITERATIONS:       60
 INTERPOLATION TYPE:            DIIS
 INTERPOLATION STEPS:              2 (START)      1 (STEP)
 LEVEL SHIFTS:                  0.00 (CLOSED)  0.00 (OPEN) 



 Orbital guess generated from atomic densities.  Occupancy:   35

 Molecular orbital dump at record        2100.2

 ITERATION    DDIFF          GRAD             ENERGY        2-EL.EN.            DIPOLE MOMENTS         DIIS
    1      0.000D+00      0.000D+00      -379.71523700   1159.621171   0.000000   0.000000   0.000000    0
    2      0.000D+00      0.898D-02      -379.74469736   1162.389787   0.000000   0.000000   0.000000    1
    3      0.817D-02      0.144D-02      -379.74635529   1162.041033   0.000000   0.000000   0.000000    2
    4      0.213D-02      0.571D-03      -379.74658063   1162.159929   0.000000   0.000000   0.000000    3
    5      0.799D-03      0.166D-03      -379.74660889   1162.144256   0.000000   0.000000   0.000000    4
    6      0.257D-03      0.239D-04      -379.74660992   1162.142869   0.000000   0.000000   0.000000    5
    7      0.482D-04      0.827D-05      -379.74661001   1162.143329   0.000000   0.000000   0.000000    6
    8      0.163D-04      0.145D-05      -379.74661001   1162.143518   0.000000   0.000000   0.000000    7
    9      0.295D-05      0.362D-06      -379.74661001   1162.143516   0.000000   0.000000   0.000000    0
 
 Final occupancy:  35
 
 !RHF STATE 1.1 ENERGY               -379.746610013932
 Nuclear energy                       452.43145287
 One-electron energy                -1413.24982093
 Two-electron energy                  581.07175804
 Virial quotient                       -1.00838748
 !RHF STATE 1.1 DIPOLE MOMENT           0.00000000     0.00000000     0.00000000
 Dipole moment /Debye                   0.00000000     0.00000000     0.00000000

 ELECTRON ORBITALS
 =================


   Orb  Occ    Energy  Couls-En    Coefficients

                                   1 1s      1 1s      1 2px     1 2py     1 2pz     2 1s      2 1s      2 2px     2 2py     2 2pz  
                                   3 1s      3 1s      3 2px     3 2py     3 2pz     4 1s      4 1s      4 2px     4 2py     4 2pz  
                                   5 1s      5 1s      5 2px     5 2py     5 2pz     6 1s      6 1s      6 2px     6 2py     6 2pz  
                                   7 1s      7 1s      7 2px     7 2py     7 2pz     8 1s      8 1s      8 2px     8 2py     8 2pz  
                                   9 1s      9 1s      9 2px     9 2py     9 2pz    10 1s     10 1s     10 2px    10 2py    10 2pz  
                                  11 1s     12 1s     13 1s     14 1s     15 1s     16 1s     17 1s     18 1s     19 1s     20 1s   


   1.1   2   -11.0351  -43.4915  0.701460  0.025696 -0.000365 -0.000006  0.000000  0.006922 -0.004770 -0.002093  0.002343  0.000000
                                -0.006450  0.004742 -0.001028 -0.002955  0.000000 -0.701460 -0.025696 -0.000365 -0.000006  0.000000
                                -0.006922  0.004770 -0.002093  0.002343  0.000000  0.006450 -0.004742 -0.001028 -0.002955  0.000000
                                -0.004310 -0.004745  0.002985  0.000680  0.000000  0.004310  0.004745  0.002985  0.000680  0.000000
                                -0.001114  0.000146  0.000014  0.000055  0.000000  0.001114 -0.000146  0.000014  0.000055  0.000000
                                 0.000069 -0.000069  0.000064 -0.000064  0.000079 -0.000079  0.000070 -0.000070  0.000066 -0.000066

   2.1   2   -11.0350  -43.4916  0.701530  0.025622 -0.000148  0.000042  0.000000  0.004063 -0.004631 -0.002119  0.002368  0.000000
                                 0.003741 -0.004595  0.001048  0.002969  0.000000  0.701530  0.025622  0.000148 -0.000042  0.000000
                                 0.004063 -0.004631  0.002119 -0.002368  0.000000  0.003741 -0.004595 -0.001048 -0.002969  0.000000
                                -0.004643 -0.004818  0.003028  0.000691  0.000000 -0.004643 -0.004818 -0.003028 -0.000691  0.000000
                                -0.001083  0.000151  0.000010  0.000057  0.000000 -0.001083  0.000151 -0.000010 -0.000057  0.000000
                                -0.000012 -0.000012 -0.000020 -0.000020  0.000084  0.000084 -0.000070 -0.000070 -0.000059 -0.000059

   3.1   2   -11.0274  -41.1637  0.005053 -0.004412 -0.003066 -0.000561  0.000000 -0.003783 -0.000011 -0.000040 -0.000029  0.000000
                                 0.002865 -0.000050 -0.000024  0.000028  0.000000 -0.005053  0.004412 -0.003066 -0.000561  0.000000
                                 0.003783  0.000011 -0.000040 -0.000029  0.000000 -0.002865  0.000050 -0.000024  0.000028  0.000000
                                 0.701326  0.025490  0.000249 -0.000974  0.000000 -0.701326 -0.025490  0.000249 -0.000974  0.000000
                                 0.018489 -0.004773  0.002229 -0.002343  0.000000 -0.018489  0.004773  0.002229 -0.002343  0.000000
                                -0.000054  0.000054 -0.000028  0.000028 -0.004727  0.004727  0.000161 -0.000161  0.000020 -0.000020

   4.1   2   -11.0274  -41.1638  0.005385 -0.004362 -0.003056 -0.000559  0.000000 -0.005871 -0.000126 -0.000022  0.000030  0.000000
                                -0.005085 -0.000064 -0.000012  0.000016  0.000000  0.005385 -0.004362  0.003056  0.000559  0.000000
                                -0.005871 -0.000126  0.000022 -0.000030  0.000000 -0.005085 -0.000064  0.000012 -0.000016  0.000000
                                 0.701297  0.025479  0.000255 -0.000973  0.000000  0.701297  0.025479 -0.000255  0.000973  0.000000
                                 0.018491 -0.004772  0.002228 -0.002344  0.000000  0.018491 -0.004772 -0.002228  0.002344  0.000000
                                -0.000050 -0.000050 -0.000024 -0.000024 -0.004727 -0.004727 -0.000161 -0.000161 -0.000021 -0.000021

   5.1   2   -11.0242  -42.6331  0.001522  0.001579  0.000216 -0.003626  0.000000  0.378538  0.009423  0.002349  0.000128  0.000000
                                 0.590994  0.018684 -0.001125 -0.000805  0.000000 -0.001522 -0.001579  0.000216 -0.003626  0.000000
                                -0.378538 -0.009423  0.002349  0.000128  0.000000 -0.590994 -0.018684 -0.001125 -0.000805  0.000000
                                -0.000428 -0.000113  0.000045 -0.000028  0.000000  0.000428  0.000113  0.000045 -0.000028  0.000000
                                 0.001722  0.000125 -0.000106 -0.000066  0.000000 -0.001722 -0.000125 -0.000106 -0.000066  0.000000
                                 0.003916 -0.003916 -0.002438  0.002438  0.000011 -0.000011 -0.000026  0.000026  0.000143 -0.000143

   6.1   2   -11.0241  -42.6504  0.004229  0.006421 -0.001866 -0.001681  0.000000 -0.300326 -0.006524 -0.002731 -0.000399  0.000000
                                -0.634310 -0.020843  0.000962  0.000592  0.000000  0.004229  0.006421  0.001866  0.001681  0.000000
                                -0.300326 -0.006524  0.002731  0.000399  0.000000 -0.634310 -0.020843 -0.000962 -0.000592  0.000000
                                -0.007239 -0.000460 -0.000021  0.000077  0.000000 -0.007239 -0.000460  0.000021 -0.000077  0.000000
                                 0.002096  0.000282 -0.000191 -0.000024  0.000000  0.002096  0.000282  0.000191  0.000024  0.000000
                                 0.004351  0.004351  0.002057  0.002057  0.000115  0.000115  0.000027  0.000027 -0.000162 -0.000162

   7.1   2   -11.0239  -42.5632 -0.008490 -0.007272  0.002351 -0.000328  0.000000  0.590658  0.024214 -0.001909 -0.001046  0.000000
                                -0.378024 -0.018051 -0.002892 -0.000074  0.000000  0.008490  0.007272  0.002351 -0.000328  0.000000
                                -0.590658 -0.024214 -0.001909 -0.001046  0.000000  0.378024  0.018051 -0.002892 -0.000074  0.000000
                                 0.004849  0.000525 -0.000092 -0.000101  0.000000 -0.004849 -0.000525 -0.000092 -0.000101  0.000000
                                -0.001300 -0.000208  0.000126  0.000002  0.000000  0.001300  0.000208  0.000126  0.000002  0.000000
                                -0.002655  0.002655 -0.004027  0.004027 -0.000088  0.000088  0.000012 -0.000012 -0.000109  0.000109

   8.1   2   -11.0239  -42.5456 -0.001750 -0.002312  0.001460 -0.003350  0.000000  0.634073  0.024905 -0.001585 -0.000749  0.000000
                                -0.299829 -0.015120 -0.003060 -0.000320  0.000000 -0.001750 -0.002312 -0.001460  0.003350  0.000000
                                 0.634073  0.024905  0.001585  0.000749  0.000000 -0.299829 -0.015120  0.003060  0.000320  0.000000
                                 0.003154  0.000165  0.000016 -0.000019  0.000000  0.003154  0.000165 -0.000016  0.000019  0.000000
                                 0.000571 -0.000018  0.000007 -0.000045  0.000000  0.000571 -0.000018 -0.000007  0.000045  0.000000
                                 0.002056  0.002056 -0.004330 -0.004330 -0.000046 -0.000046  0.000006  0.000006 -0.000084 -0.000084

   9.1   2   -11.0130  -39.2855  0.001002  0.000318  0.000079  0.000144  0.000000  0.000282 -0.000010 -0.000105  0.000021  0.000000
                                -0.002286 -0.000011 -0.000194 -0.000016  0.000000 -0.001002 -0.000318  0.000079  0.000144  0.000000
                                -0.000282  0.000010 -0.000105  0.000021  0.000000  0.002286  0.000011 -0.000194 -0.000016  0.000000
                                -0.018058 -0.006196 -0.002139  0.002491  0.000000  0.018058  0.006196 -0.002139  0.002491  0.000000
                                 0.701403  0.025431 -0.000755  0.001410  0.000000 -0.701403 -0.025431 -0.000755  0.001410  0.000000
                                 0.000065 -0.000065 -0.000007  0.000007  0.000245 -0.000245  0.004813 -0.004813  0.004607 -0.004607

  10.1   2   -11.0130  -39.2855  0.000971  0.000319  0.000076  0.000143  0.000000  0.000561 -0.000137 -0.000009  0.000047  0.000000
                                 0.002330  0.000001  0.000186  0.000011  0.000000  0.000971  0.000319 -0.000076 -0.000143  0.000000
                                 0.000561 -0.000137  0.000009 -0.000047  0.000000  0.002330  0.000001 -0.000186 -0.000011  0.000000
                                -0.018050 -0.006196 -0.002138  0.002490  0.000000 -0.018050 -0.006196  0.002138 -0.002490  0.000000
                                 0.701403  0.025430 -0.000755  0.001410  0.000000  0.701403  0.025430  0.000755 -0.001410  0.000000
                                 0.000066  0.000066 -0.000009 -0.000009  0.000244  0.000244 -0.004813 -0.004813 -0.004607 -0.004607

  11.1   2    -1.0931  -19.2112 -0.108488  0.276768 -0.027534 -0.006133  0.000000 -0.092253  0.235472 -0.009931 -0.051189  0.000000
                                -0.093003  0.237778  0.027411 -0.043885  0.000000 -0.108488  0.276768  0.027534  0.006133  0.000000
                                -0.092253  0.235472  0.009931  0.051189  0.000000 -0.093003  0.237778 -0.027411  0.043885  0.000000
                                -0.058301  0.148599 -0.030358 -0.021423  0.000000 -0.058301  0.148599  0.030358  0.021423  0.000000
                                -0.031816  0.080785 -0.022985  0.018971  0.000000 -0.031816  0.080785  0.022985 -0.018971  0.000000
                                 0.043578  0.043578  0.041835  0.041835  0.028321  0.028321  0.013961  0.013961  0.018193  0.018193

  12.1   2    -1.0331  -17.8524 -0.101661  0.266241  0.040303  0.001207  0.000000 -0.033383  0.087979  0.055272 -0.026452  0.000000
                                 0.043171 -0.114102  0.040877  0.044813  0.000000  0.101661 -0.266241  0.040303  0.001207  0.000000
                                 0.033383 -0.087979  0.055272 -0.026452  0.000000 -0.043171  0.114102  0.040877  0.044813  0.000000
                                -0.114027  0.295903 -0.014871 -0.046479  0.000000  0.114027 -0.295903 -0.014871 -0.046479  0.000000
                                -0.081080  0.210420 -0.047303  0.046735  0.000000  0.081080 -0.210420 -0.047303  0.046735  0.000000
                                 0.030723 -0.030723  0.021920 -0.021920  0.063439 -0.063439 -0.043937  0.043937 -0.048384  0.048384

  13.1   2    -0.9797  -16.9473  0.001785 -0.004862  0.103169  0.010225  0.000000  0.055173 -0.146319  0.035062  0.020369  0.000000
                                 0.047680 -0.126076 -0.050573  0.002971  0.000000  0.001785 -0.004862 -0.103169 -0.010225  0.000000
                                 0.055173 -0.146319 -0.035062 -0.020369  0.000000  0.047680 -0.126076  0.050573 -0.002971  0.000000
                                -0.114210  0.301309  0.051076 -0.056242  0.000000 -0.114210  0.301309 -0.051076  0.056242  0.000000
                                -0.112182  0.297530 -0.047488  0.060821  0.000000 -0.112182  0.297530  0.047488 -0.060821  0.000000
                                -0.019470 -0.019470 -0.029221 -0.029221  0.072717  0.072717  0.073902  0.073902  0.070325  0.070325

  14.1   2    -0.9478  -18.3381 -0.018981  0.051727 -0.027645  0.125907  0.000000 -0.132671  0.361531 -0.052352 -0.005449  0.000000
                                -0.115066  0.313533  0.068752  0.035755  0.000000  0.018981 -0.051727 -0.027645  0.125907  0.000000
                                 0.132671 -0.361531 -0.052352 -0.005449  0.000000  0.115066 -0.313533  0.068752  0.035755  0.000000
                                -0.002788  0.008504 -0.021504  0.022475  0.000000  0.002788 -0.008504 -0.021504  0.022475  0.000000
                                 0.014987 -0.039793  0.006473  0.001572  0.000000 -0.014987  0.039793  0.006473  0.001572  0.000000
                                -0.088939  0.088939  0.099977 -0.099977  0.010458 -0.010458  0.009201 -0.009201  0.016747 -0.016747

  15.1   2    -0.9049  -17.3902 -0.100271  0.278511 -0.056345 -0.023443  0.000000 -0.036970  0.102959  0.096654 -0.038222  0.000000
                                 0.076858 -0.214031  0.041706  0.057756  0.000000  0.100271 -0.278511 -0.056345 -0.023443  0.000000
                                 0.036970 -0.102959  0.096654 -0.038222  0.000000 -0.076858  0.214031  0.041706  0.057756  0.000000
                                 0.049636 -0.132906 -0.128970  0.044119  0.000000 -0.049636  0.132906 -0.128970  0.044119  0.000000
                                 0.105737 -0.290272  0.012581 -0.047246  0.000000 -0.105737  0.290272  0.012581 -0.047246  0.000000
                                 0.057177 -0.057177  0.029395 -0.029395 -0.041139  0.041139  0.092760 -0.092760  0.073712 -0.073712

  16.1   2    -0.8026  -16.8095 -0.071781  0.208483  0.072055  0.123110  0.000000 -0.002625  0.008506  0.157489 -0.030185  0.000000
                                 0.081733 -0.235763 -0.018274 -0.067590  0.000000 -0.071781  0.208483 -0.072055 -0.123110  0.000000
                                -0.002625  0.008506 -0.157489  0.030185  0.000000  0.081733 -0.235763  0.018274  0.067590  0.000000
                                -0.051813  0.155420 -0.131974  0.079043  0.000000 -0.051813  0.155420  0.131974 -0.079043  0.000000
                                 0.081240 -0.236116 -0.029464  0.030477  0.000000  0.081240 -0.236116  0.029464 -0.030477  0.000000
                                -0.114707 -0.114707  0.015652  0.015652  0.075404  0.075404 -0.094407 -0.094407 -0.107894 -0.107894

  17.1   2    -0.7623  -17.3555  0.053419 -0.158253 -0.074375  0.181779  0.000000 -0.107459  0.319057  0.030787  0.074640  0.000000
                                 0.055525 -0.166175  0.166350  0.089710  0.000000  0.053419 -0.158253  0.074375 -0.181779  0.000000
                                -0.107459  0.319057 -0.030787 -0.074640  0.000000  0.055525 -0.166175 -0.166350 -0.089710  0.000000
                                 0.002330 -0.008008  0.092437  0.045908  0.000000  0.002330 -0.008008 -0.092437 -0.045908  0.000000
                                -0.039086  0.117279  0.052436  0.026557  0.000000 -0.039086  0.117279 -0.052436 -0.026557  0.000000
                                -0.086151 -0.086151  0.169182  0.169182  0.042451  0.042451  0.078126  0.078126  0.017108  0.017108

  18.1   2    -0.7264  -15.3860  0.007164 -0.020637  0.139580  0.055979  0.000000  0.051968 -0.159086 -0.002514  0.000574  0.000000
                                -0.029054  0.088499 -0.086214 -0.030736  0.000000 -0.007164  0.020637  0.139580  0.055979  0.000000
                                -0.051968  0.159086 -0.002514  0.000574  0.000000  0.029054 -0.088499 -0.086214 -0.030736  0.000000
                                -0.095594  0.293722 -0.045150  0.118280  0.000000  0.095594 -0.293722 -0.045150  0.118280  0.000000
                                 0.080741 -0.249380 -0.064117  0.122392  0.000000 -0.080741  0.249380 -0.064117  0.122392  0.000000
                                -0.066982  0.066982 -0.058017  0.058017  0.175878 -0.175878  0.108832 -0.108832  0.174691 -0.174691

  19.1   2    -0.6897  -16.3291  0.051592 -0.155726  0.148549 -0.015412  0.000000 -0.004625  0.017527 -0.095764  0.176207  0.000000
                                -0.050116  0.159662 -0.038581  0.194610  0.000000  0.051592 -0.155726 -0.148549  0.015412  0.000000
                                -0.004625  0.017527  0.095764 -0.176207  0.000000 -0.050116  0.159662  0.038581 -0.194610  0.000000
                                -0.059621  0.184781 -0.002318  0.075955  0.000000 -0.059621  0.184781  0.002318 -0.075955  0.000000
                                 0.055103 -0.174834 -0.070479  0.076249  0.000000  0.055103 -0.174834  0.070479 -0.076249  0.000000
                                 0.174532  0.174532  0.100932  0.100932  0.126685  0.126685 -0.096784 -0.096784 -0.103318 -0.103318

  20.1   2    -0.6392  -15.6121  0.023502 -0.075499 -0.120745 -0.070915  0.000000  0.018706 -0.065773 -0.125950 -0.133322  0.000000
                                -0.024810  0.073849  0.110614 -0.085378  0.000000  0.023502 -0.075499  0.120745  0.070915  0.000000
                                 0.018706 -0.065773  0.125950  0.133322  0.000000 -0.024810  0.073849 -0.110614  0.085378  0.000000
                                -0.035299  0.112396  0.177041  0.108991  0.000000 -0.035299  0.112396 -0.177041 -0.108991  0.000000
                                 0.020270 -0.071951  0.049050  0.211633  0.000000  0.020270 -0.071951 -0.049050 -0.211633  0.000000
                                -0.082143 -0.082143 -0.142926 -0.142926  0.159272  0.159272  0.056901  0.056901 -0.194907 -0.194907

  21.1   2    -0.6133  -15.8733  0.019655 -0.064353 -0.173473  0.089290  0.000000 -0.027717  0.091236  0.171289  0.016159  0.000000
                                 0.047634 -0.154797 -0.076618 -0.076753  0.000000 -0.019655  0.064353 -0.173473  0.089290  0.000000
                                 0.027717 -0.091236  0.171289  0.016159  0.000000 -0.047634  0.154797 -0.076618 -0.076753  0.000000
                                 0.016077 -0.050684  0.146495  0.197745  0.000000 -0.016077  0.050684  0.146495  0.197745  0.000000
                                -0.006771  0.024330  0.197445  0.104283  0.000000  0.006771 -0.024330  0.197445  0.104283  0.000000
                                 0.065677 -0.065677  0.098596 -0.098596  0.156277 -0.156277 -0.182170  0.182170  0.089049 -0.089049

  22.1   2    -0.5702  -15.7836  0.068028 -0.229612  0.102280  0.028030  0.000000 -0.034718  0.120169 -0.012762  0.191381  0.000000
                                 0.027867 -0.098691  0.130741 -0.218627  0.000000 -0.068028  0.229612  0.102280  0.028030  0.000000
                                 0.034718 -0.120169 -0.012762  0.191381  0.000000 -0.027867  0.098691  0.130741 -0.218627  0.000000
                                -0.019532  0.065087  0.007235  0.036053  0.000000  0.019532 -0.065087  0.007235  0.036053  0.000000
                                 0.015943 -0.053676 -0.121806 -0.075800  0.000000 -0.015943  0.053676 -0.121806 -0.075800  0.000000
                                 0.267692 -0.267692  0.206641 -0.206641  0.070482 -0.070482  0.138557 -0.138557 -0.081569  0.081569

  23.1   2    -0.5623  -16.5735  0.015601 -0.051549 -0.057872 -0.254838  0.000000 -0.021105  0.071728 -0.141055  0.140756  0.000000
                                 0.029543 -0.099164  0.135252  0.160600  0.000000 -0.015601  0.051549 -0.057872 -0.254838  0.000000
                                 0.021105 -0.071728 -0.141055  0.140756  0.000000 -0.029543  0.099164  0.135252  0.160600  0.000000
                                -0.006770  0.013087  0.176971 -0.106236  0.000000  0.006770 -0.013087  0.176971 -0.106236  0.000000
                                 0.011568 -0.051751 -0.048358  0.243795  0.000000 -0.011568  0.051751 -0.048358  0.243795  0.000000
                                -0.000637  0.000637  0.109601 -0.109601 -0.026940  0.026940 -0.007901  0.007901  0.210728 -0.210728

  24.1   2    -0.5378  -15.1153 -0.020449  0.068921 -0.015823  0.038582  0.000000  0.024791 -0.084543  0.096297 -0.022532  0.000000
                                -0.015943  0.059498 -0.145586  0.044555  0.000000 -0.020449  0.068921  0.015823 -0.038582  0.000000
                                 0.024791 -0.084543 -0.096297  0.022532  0.000000 -0.015943  0.059498  0.145586 -0.044555  0.000000
                                 0.027435 -0.082166 -0.075267  0.291742  0.000000  0.027435 -0.082166  0.075267 -0.291742  0.000000
                                 0.005043 -0.001800  0.295823 -0.112838  0.000000  0.005043 -0.001800 -0.295823  0.112838  0.000000
                                 0.140300  0.140300 -0.028594 -0.028594  0.178878  0.178878  0.213116  0.213116  0.063791  0.063791

  25.1   2    -0.5210  -16.7365  0.002672 -0.009485  0.087646 -0.052182  0.000000  0.026937 -0.086680  0.164745  0.298023  0.000000
                                 0.017150 -0.055281 -0.252089  0.146517  0.000000 -0.002672  0.009485  0.087646 -0.052182  0.000000
                                -0.026937  0.086680  0.164745  0.298023  0.000000 -0.017150  0.055281 -0.252089  0.146517  0.000000
                                 0.003172 -0.008851 -0.078269 -0.015525  0.000000 -0.003172  0.008851 -0.078269 -0.015525  0.000000
                                -0.009301  0.035254  0.002525 -0.082357  0.000000  0.009301 -0.035254  0.002525 -0.082357  0.000000
                                -0.217158  0.217158  0.258893 -0.258893 -0.029447  0.029447  0.007193 -0.007193 -0.063095  0.063095

  26.1   2    -0.5035  -14.4852 -0.029556  0.104654  0.032588 -0.069896  0.000000  0.001528  0.001440  0.128369  0.133250  0.000000
                                 0.000665 -0.000387 -0.154531 -0.037439  0.000000 -0.029556  0.104654 -0.032588  0.069896  0.000000
                                 0.001528  0.001440 -0.128369 -0.133250  0.000000  0.000665 -0.000387  0.154531  0.037439  0.000000
                                 0.024950 -0.097912  0.004058 -0.161360  0.000000  0.024950 -0.097912 -0.004058  0.161360  0.000000
                                -0.003915  0.008924  0.151095  0.262006  0.000000 -0.003915  0.008924 -0.151095 -0.262006  0.000000
                                 0.030079  0.030079  0.146302  0.146302 -0.187673 -0.187673  0.216656  0.216656 -0.259575 -0.259575

  27.1   2    -0.4848  -16.3109 -0.007194  0.025432  0.062441 -0.203828  0.000000  0.015524 -0.057082 -0.216147  0.059317  0.000000
                                -0.000728  0.000844  0.154690  0.164691  0.000000  0.007194 -0.025432  0.062441 -0.203828  0.000000
                                -0.015524  0.057082 -0.216147  0.059317  0.000000  0.000728 -0.000844  0.154690  0.164691  0.000000
                                 0.004478 -0.001426 -0.087498  0.276036  0.000000 -0.004478  0.001426 -0.087498  0.276036  0.000000
                                 0.016724 -0.045626  0.176722 -0.190875  0.000000 -0.016724  0.045626  0.176722 -0.190875  0.000000
                                -0.017979  0.017979 -0.029725  0.029725  0.227386 -0.227386 -0.080649  0.080649 -0.128835  0.128835

  28.1   2    -0.4660  -17.4511  0.000000  0.000000  0.000000  0.000000  0.332111  0.000000  0.000000  0.000000  0.000000  0.293553
                                 0.000000  0.000000  0.000000  0.000000  0.293066  0.000000  0.000000  0.000000  0.000000  0.332111
                                 0.000000  0.000000  0.000000  0.000000  0.293553  0.000000  0.000000  0.000000  0.000000  0.293066
                                 0.000000  0.000000  0.000000  0.000000  0.181684  0.000000  0.000000  0.000000  0.000000  0.181684
                                 0.000000  0.000000  0.000000  0.000000  0.110046  0.000000  0.000000  0.000000  0.000000  0.110046
                                 0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000

  29.1   2    -0.4494  -15.3838 -0.010345  0.040891  0.284211  0.046550  0.000000  0.011500 -0.039033 -0.052025  0.086145  0.000000
                                -0.012087  0.039604  0.072198 -0.123326  0.000000  0.010345 -0.040891  0.284211  0.046550  0.000000
                                -0.011500  0.039033 -0.052025  0.086145  0.000000  0.012087 -0.039604  0.072198 -0.123326  0.000000
                                 0.004819 -0.020326 -0.253457 -0.083562  0.000000 -0.004819  0.020326 -0.253457 -0.083562  0.000000
                                 0.005966 -0.013720  0.250562  0.106363  0.000000 -0.005966  0.013720  0.250562  0.106363  0.000000
                                 0.090890 -0.090890  0.036537 -0.036537 -0.175729  0.175729 -0.268234  0.268234  0.166805 -0.166805

  30.1   2    -0.4176  -16.7345  0.005158 -0.026036 -0.240851 -0.166735  0.000000  0.004579 -0.010842  0.220460  0.112638  0.000000
                                 0.003338 -0.012837 -0.222061 -0.182718  0.000000  0.005158 -0.026036  0.240851  0.166735  0.000000
                                 0.004579 -0.010842 -0.220460 -0.112638  0.000000  0.003338 -0.012837  0.222061  0.182718  0.000000
                                 0.015886 -0.058610  0.264102  0.076813  0.000000  0.015886 -0.058610 -0.264102 -0.076813  0.000000
                                -0.001064 -0.003268 -0.144822 -0.022680  0.000000 -0.001064 -0.003268  0.144822  0.022680  0.000000
                                 0.018430  0.018430  0.202846  0.202846  0.152496  0.152496 -0.152856 -0.152856  0.077545  0.077545

  31.1   2    -0.4157  -16.9114  0.000341 -0.003761 -0.161600  0.275909  0.000000 -0.011129  0.035018  0.185673 -0.237059  0.000000
                                 0.012634 -0.038220 -0.124932  0.234108  0.000000  0.000341 -0.003761  0.161600 -0.275909  0.000000
                                -0.011129  0.035018 -0.185673  0.237059  0.000000  0.012634 -0.038220  0.124932 -0.234108  0.000000
                                 0.004339 -0.023957  0.128593 -0.082877  0.000000  0.004339 -0.023957 -0.128593  0.082877  0.000000
                                -0.006512  0.016360 -0.106962  0.113679  0.000000 -0.006512  0.016360  0.106962 -0.113679  0.000000
                                 0.273501  0.273501 -0.173341 -0.173341 -0.069803 -0.069803 -0.060736 -0.060736 -0.049223 -0.049223

  32.1   2    -0.3851  -16.2927  0.000000  0.000000  0.000000  0.000000  0.324553  0.000000  0.000000  0.000000  0.000000  0.121538
                                 0.000000  0.000000  0.000000  0.000000 -0.121446  0.000000  0.000000  0.000000  0.000000 -0.324553
                                 0.000000  0.000000  0.000000  0.000000 -0.121538  0.000000  0.000000  0.000000  0.000000  0.121446
                                 0.000000  0.000000  0.000000  0.000000  0.380294  0.000000  0.000000  0.000000  0.000000 -0.380294
                                 0.000000  0.000000  0.000000  0.000000  0.296271  0.000000  0.000000  0.000000  0.000000 -0.296271
                                 0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000

  33.1   2    -0.3125  -15.3885  0.000000  0.000000  0.000000  0.000000 -0.045100  0.000000  0.000000  0.000000  0.000000 -0.182999
                                 0.000000  0.000000  0.000000  0.000000 -0.181376  0.000000  0.000000  0.000000  0.000000 -0.045100
                                 0.000000  0.000000  0.000000  0.000000 -0.182999  0.000000  0.000000  0.000000  0.000000 -0.181376
                                 0.000000  0.000000  0.000000  0.000000  0.408554  0.000000  0.000000  0.000000  0.000000  0.408554
                                 0.000000  0.000000  0.000000  0.000000  0.419430  0.000000  0.000000  0.000000  0.000000  0.419430
                                 0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000

  34.1   2    -0.2744  -17.2214  0.000000  0.000000  0.000000  0.000000  0.004654  0.000000  0.000000  0.000000  0.000000  0.462806
                                 0.000000  0.000000  0.000000  0.000000  0.459021  0.000000  0.000000  0.000000  0.000000 -0.004654
                                 0.000000  0.000000  0.000000  0.000000 -0.462806  0.000000  0.000000  0.000000  0.000000 -0.459021
                                 0.000000  0.000000  0.000000  0.000000  0.000053  0.000000  0.000000  0.000000  0.000000 -0.000053
                                 0.000000  0.000000  0.000000  0.000000 -0.005205  0.000000  0.000000  0.000000  0.000000  0.005205
                                 0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000

  35.1   2    -0.2133  -16.4110  0.000000  0.000000  0.000000  0.000000 -0.410943  0.000000  0.000000  0.000000  0.000000 -0.226560
                                 0.000000  0.000000  0.000000  0.000000  0.238440  0.000000  0.000000  0.000000  0.000000  0.410943
                                 0.000000  0.000000  0.000000  0.000000  0.226560  0.000000  0.000000  0.000000  0.000000 -0.238440
                                 0.000000  0.000000  0.000000  0.000000  0.221900  0.000000  0.000000  0.000000  0.000000 -0.221900
                                 0.000000  0.000000  0.000000  0.000000  0.369742  0.000000  0.000000  0.000000  0.000000 -0.369742
                                 0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000

  36.1   0     0.1988  -15.8734  0.000000  0.000000  0.000000  0.000000 -0.458566  0.000000  0.000000  0.000000  0.000000  0.235998
                                 0.000000  0.000000  0.000000  0.000000  0.285453  0.000000  0.000000  0.000000  0.000000 -0.458566
                                 0.000000  0.000000  0.000000  0.000000  0.235998  0.000000  0.000000  0.000000  0.000000  0.285453
                                 0.000000  0.000000  0.000000  0.000000 -0.247186  0.000000  0.000000  0.000000  0.000000 -0.247186
                                 0.000000  0.000000  0.000000  0.000000  0.431434  0.000000  0.000000  0.000000  0.000000  0.431434
                                 0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000

  37.1   0     0.2704  -16.6899  0.000000  0.000000  0.000000  0.000000 -0.030638  0.000000  0.000000  0.000000  0.000000  0.582178
                                 0.000000  0.000000  0.000000  0.000000 -0.552918  0.000000  0.000000  0.000000  0.000000 -0.030638
                                 0.000000  0.000000  0.000000  0.000000  0.582178  0.000000  0.000000  0.000000  0.000000 -0.552918
                                 0.000000  0.000000  0.000000  0.000000 -0.001081  0.000000  0.000000  0.000000  0.000000 -0.001081
                                 0.000000  0.000000  0.000000  0.000000  0.016070  0.000000  0.000000  0.000000  0.000000  0.016070
                                 0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000

  38.1   0     0.3093  -14.6997  0.000000  0.000000  0.000000  0.000000  0.038740  0.000000  0.000000  0.000000  0.000000 -0.236769
                                 0.000000  0.000000  0.000000  0.000000  0.229612  0.000000  0.000000  0.000000  0.000000 -0.038740
                                 0.000000  0.000000  0.000000  0.000000  0.236769  0.000000  0.000000  0.000000  0.000000 -0.229612
                                 0.000000  0.000000  0.000000  0.000000  0.518985  0.000000  0.000000  0.000000  0.000000 -0.518985
                                 0.000000  0.000000  0.000000  0.000000 -0.528110  0.000000  0.000000  0.000000  0.000000  0.528110
                                 0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000

  39.1   0     0.4078  -15.5748  0.000000  0.000000  0.000000  0.000000  0.488958  0.000000  0.000000  0.000000  0.000000 -0.167467
                                 0.000000  0.000000  0.000000  0.000000 -0.190321  0.000000  0.000000  0.000000  0.000000  0.488958
                                 0.000000  0.000000  0.000000  0.000000 -0.167467  0.000000  0.000000  0.000000  0.000000 -0.190321
                                 0.000000  0.000000  0.000000  0.000000 -0.538148  0.000000  0.000000  0.000000  0.000000 -0.538148
                                 0.000000  0.000000  0.000000  0.000000  0.394240  0.000000  0.000000  0.000000  0.000000  0.394240
                                 0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000

  40.1   0     0.5303  -16.4787  0.000000  0.000000  0.000000  0.000000  0.544511  0.000000  0.000000  0.000000  0.000000 -0.464557
                                 0.000000  0.000000  0.000000  0.000000  0.465667  0.000000  0.000000  0.000000  0.000000 -0.544511
                                 0.000000  0.000000  0.000000  0.000000  0.464557  0.000000  0.000000  0.000000  0.000000 -0.465667
                                 0.000000  0.000000  0.000000  0.000000 -0.295965  0.000000  0.000000  0.000000  0.000000  0.295965
                                 0.000000  0.000000  0.000000  0.000000  0.162588  0.000000  0.000000  0.000000  0.000000 -0.162588
                                 0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000

  41.1   0     0.5763  -13.5819  0.013420 -0.084071  0.058832 -0.250704  0.000000 -0.004795  0.023014  0.066874 -0.323979  0.000000
                                 0.023538 -0.146802  0.128854 -0.349226  0.000000 -0.013420  0.084071  0.058832 -0.250704  0.000000
                                 0.004795 -0.023014  0.066874 -0.323979  0.000000 -0.023538  0.146802  0.128854 -0.349226  0.000000
                                 0.050365 -0.294261 -0.135315 -0.252710  0.000000 -0.050365  0.294261 -0.135315 -0.252710  0.000000
                                -0.044035  0.262177 -0.110843 -0.280619  0.000000  0.044035 -0.262177 -0.110843 -0.280619  0.000000
                                -0.402254  0.402254  0.270746 -0.270746  0.461635 -0.461635 -0.064756  0.064756  0.401316 -0.401316

  42.1   0     0.5839  -13.5607  0.021194 -0.137238 -0.189475 -0.066742  0.000000  0.045831 -0.285222 -0.152405 -0.256161  0.000000
                                 0.070253 -0.433555  0.237580 -0.238703  0.000000  0.021194 -0.137238  0.189475  0.066742  0.000000
                                 0.045831 -0.285222  0.152405  0.256161  0.000000  0.070253 -0.433555 -0.237580  0.238703  0.000000
                                -0.049617  0.288187 -0.187592 -0.050983  0.000000 -0.049617  0.288187  0.187592  0.050983  0.000000
                                 0.068307 -0.410680 -0.077106  0.125340  0.000000  0.068307 -0.410680  0.077106 -0.125340  0.000000
                                 0.539871  0.539871  0.458146  0.458146 -0.092079 -0.092079  0.279118  0.279118  0.255365  0.255365

  43.1   0     0.6187  -12.6567  0.014215 -0.094377  0.037496 -0.163797  0.000000 -0.046011  0.282547  0.001097 -0.133095  0.000000
                                 0.033247 -0.199283 -0.083590  0.083936  0.000000  0.014215 -0.094377 -0.037496  0.163797  0.000000
                                -0.046011  0.282547 -0.001097  0.133095  0.000000  0.033247 -0.199283  0.083590 -0.083936  0.000000
                                 0.072426 -0.448246 -0.199620 -0.389826  0.000000  0.072426 -0.448246  0.199620  0.389826  0.000000
                                 0.008572 -0.060255 -0.346354 -0.193958  0.000000  0.008572 -0.060255  0.346354  0.193958  0.000000
                                 0.012082  0.012082 -0.058381 -0.058381  0.664894  0.664894  0.426072  0.426072 -0.246288 -0.246288

  44.1   0     0.6310  -12.1224  0.035606 -0.204663  0.056506  0.125105  0.000000 -0.035975  0.211573 -0.027706  0.092725  0.000000
                                 0.070102 -0.428047  0.168789 -0.026094  0.000000 -0.035606  0.204663  0.056506  0.125105  0.000000
                                 0.035975 -0.211573 -0.027706  0.092725  0.000000 -0.070102  0.428047  0.168789 -0.026094  0.000000
                                -0.033662  0.223887  0.031944  0.262323  0.000000  0.033662 -0.223887  0.031944  0.262323  0.000000
                                -0.099715  0.625976  0.317146 -0.137088  0.000000  0.099715 -0.625976  0.317146 -0.137088  0.000000
                                -0.281393  0.281393 -0.192247  0.192247 -0.335393  0.335393  0.570766 -0.570766  0.356440 -0.356440

  45.1   0     0.6420  -13.1594  0.045300 -0.283656 -0.229252  0.140040  0.000000  0.077350 -0.479756  0.058068 -0.195235  0.000000
                                -0.050364  0.307239  0.068516 -0.034325  0.000000  0.045300 -0.283656  0.229252 -0.140040  0.000000
                                 0.077350 -0.479756 -0.058068  0.195235  0.000000 -0.050364  0.307239 -0.068516  0.034325  0.000000
                                -0.013887  0.096621 -0.318022  0.027206  0.000000 -0.013887  0.096621  0.318022 -0.027206  0.000000
                                -0.103483  0.653148  0.017067 -0.273482  0.000000 -0.103483  0.653148 -0.017067  0.273482  0.000000
                                 0.003564  0.003564  0.404559  0.404559  0.014912  0.014912 -0.234590 -0.234590 -0.602423 -0.602423

  46.1   0     0.6686  -14.5156 -0.015690  0.094554 -0.381252 -0.139225  0.000000  0.060541 -0.376485 -0.373367 -0.333996  0.000000
                                -0.021099  0.120919 -0.237580 -0.159189  0.000000  0.015690 -0.094554 -0.381252 -0.139225  0.000000
                                -0.060541  0.376485 -0.373367 -0.333996  0.000000  0.021099 -0.120919 -0.237580 -0.159189  0.000000
                                -0.079884  0.505886 -0.145603  0.101141  0.000000  0.079884 -0.505886 -0.145603  0.101141  0.000000
                                -0.000688  0.011682  0.175454 -0.035391  0.000000  0.000688 -0.011682  0.175454 -0.035391  0.000000
                                 0.123988 -0.123988  0.626347 -0.626347 -0.316441  0.316441  0.131062 -0.131062  0.008717 -0.008717

  47.1   0     0.6806  -14.8586  0.078304 -0.480820 -0.370367  0.106909  0.000000 -0.056949  0.353556 -0.205015  0.158733  0.000000
                                 0.043205 -0.263798 -0.251139  0.204933  0.000000 -0.078304  0.480820 -0.370367  0.106909  0.000000
                                 0.056949 -0.353556 -0.205015  0.158733  0.000000 -0.043205  0.263798 -0.251139  0.204933  0.000000
                                -0.042706  0.260594 -0.467058 -0.045868  0.000000  0.042706 -0.260594 -0.467058 -0.045868  0.000000
                                -0.016944  0.119744 -0.293787 -0.237818  0.000000  0.016944 -0.119744 -0.293787 -0.237818  0.000000
                                 0.209955 -0.209955 -0.270108  0.270108  0.049475 -0.049475 -0.310728  0.310728  0.362558 -0.362558

  48.1   0     0.7099  -15.1354  0.137545 -0.860953  0.033152  0.143278  0.000000 -0.039115  0.251131  0.319564 -0.049418  0.000000
                                -0.097470  0.620772 -0.168206 -0.279934  0.000000  0.137545 -0.860953 -0.033152 -0.143278  0.000000
                                -0.039115  0.251131 -0.319564  0.049418  0.000000 -0.097470  0.620772  0.168206  0.279934  0.000000
                                -0.061945  0.375057 -0.203668  0.117160  0.000000 -0.061945  0.375057  0.203668 -0.117160  0.000000
                                 0.047522 -0.287915 -0.262742 -0.027058  0.000000  0.047522 -0.287915  0.262742  0.027058  0.000000
                                -0.229604 -0.229604 -0.153187 -0.153187 -0.250233 -0.250233  0.389388  0.389388  0.099320  0.099320

  49.1   0     0.7223  -13.4008 -0.079020  0.482866 -0.041654  0.123463  0.000000  0.063676 -0.392356 -0.053605  0.186277  0.000000
                                -0.086330  0.542582 -0.131435  0.180009  0.000000  0.079020 -0.482866 -0.041654  0.123463  0.000000
                                -0.063676  0.392356 -0.053605  0.186277  0.000000  0.086330 -0.542582 -0.131435  0.180009  0.000000
                                 0.082196 -0.513257 -0.018261 -0.084889  0.000000 -0.082196  0.513257 -0.018261 -0.084889  0.000000
                                -0.094645  0.599838  0.079818 -0.029412  0.000000  0.094645 -0.599838  0.079818 -0.029412  0.000000
                                 0.537313 -0.537313  0.042368 -0.042368  0.338411 -0.338411  0.345350 -0.345350  0.390793 -0.390793

  50.1   0     0.7446  -14.9741  0.073134 -0.467745  0.069034 -0.357761  0.000000 -0.129193  0.829220 -0.051109 -0.144880  0.000000
                                 0.085179 -0.548933 -0.229236 -0.214938  0.000000  0.073134 -0.467745 -0.069034  0.357761  0.000000
                                -0.129193  0.829220  0.051109  0.144880  0.000000  0.085179 -0.548933  0.229236  0.214938  0.000000
                                -0.055335  0.370518 -0.095409 -0.018003  0.000000 -0.055335  0.370518  0.095409  0.018003  0.000000
                                -0.028920  0.191904  0.334961 -0.151730  0.000000 -0.028920  0.191904 -0.334961  0.151730  0.000000
                                 0.325333  0.325333 -0.251050 -0.251050 -0.102109 -0.102109 -0.309051 -0.309051 -0.225002 -0.225002

  51.1   0     0.8145  -15.1360  0.005818 -0.030270  0.054291 -0.507888  0.000000 -0.102130  0.689675  0.029611  0.040615  0.000000
                                -0.020016  0.148475 -0.499618 -0.221331  0.000000 -0.005818  0.030270  0.054291 -0.507888  0.000000
                                 0.102130 -0.689675  0.029611  0.040615  0.000000  0.020016 -0.148475 -0.499618 -0.221331  0.000000
                                -0.037202  0.262770  0.053610 -0.346320  0.000000  0.037202 -0.262770  0.053610 -0.346320  0.000000
                                 0.028005 -0.203872  0.462612 -0.060933  0.000000 -0.028005  0.203872  0.462612 -0.060933  0.000000
                                 0.177811 -0.177811 -0.320314  0.320314  0.169225 -0.169225  0.258746 -0.258746 -0.103942  0.103942

  52.1   0     0.8258  -14.8788  0.050106 -0.346536  0.570481  0.146321  0.000000  0.001075 -0.005242  0.177069 -0.444742  0.000000
                                -0.053016  0.349915  0.045878 -0.234083  0.000000  0.050106 -0.346536 -0.570481 -0.146321  0.000000
                                 0.001075 -0.005242 -0.177069  0.444742  0.000000 -0.053016  0.349915 -0.045878  0.234083  0.000000
                                 0.060851 -0.410405  0.090225 -0.243417  0.000000  0.060851 -0.410405 -0.090225  0.243417  0.000000
                                -0.006794  0.030377  0.296975  0.305269  0.000000 -0.006794  0.030377 -0.296975 -0.305269  0.000000
                                -0.013923 -0.013923  0.289561  0.289561  0.323803  0.323803 -0.340771 -0.340771  0.270741  0.270741

  53.1   0     0.8653  -14.8185  0.000768  0.001444 -0.081758 -0.200504  0.000000 -0.004087  0.033878 -0.190540 -0.497545  0.000000
                                 0.001717 -0.019012 -0.424068  0.509049  0.000000  0.000768  0.001444  0.081758  0.200504  0.000000
                                -0.004087  0.033878  0.190540  0.497545  0.000000  0.001717 -0.019012  0.424068 -0.509049  0.000000
                                -0.063082  0.438391  0.169077 -0.129208  0.000000 -0.063082  0.438391 -0.169077  0.129208  0.000000
                                 0.057627 -0.395338  0.173700 -0.196652  0.000000  0.057627 -0.395338 -0.173700  0.196652  0.000000
                                -0.525684 -0.525684  0.415643  0.415643 -0.135354 -0.135354  0.080786  0.080786  0.113106  0.113106

  54.1   0     0.9026  -15.5353  0.065749 -0.461372 -0.025177 -0.341383  0.000000  0.021312 -0.144801  0.727996 -0.205181  0.000000
                                -0.088009  0.616763  0.309338  0.315460  0.000000 -0.065749  0.461372 -0.025177 -0.341383  0.000000
                                -0.021312  0.144801  0.727996 -0.205181  0.000000  0.088009 -0.616763  0.309338  0.315460  0.000000
                                -0.062395  0.437416 -0.012917  0.058343  0.000000  0.062395 -0.437416 -0.012917  0.058343  0.000000
                                 0.007402 -0.042227  0.049787 -0.268047  0.000000 -0.007402  0.042227  0.049787 -0.268047  0.000000
                                 0.299163 -0.299163  0.045772 -0.045772 -0.223009  0.223009 -0.059956  0.059956  0.228591 -0.228591

  55.1   0     0.9481  -15.3826 -0.019448  0.129539  0.317028  0.172905  0.000000 -0.030862  0.220497 -0.493615 -0.243865  0.000000
                                 0.036746 -0.255018 -0.413212 -0.177195  0.000000 -0.019448  0.129539 -0.317028 -0.172905  0.000000
                                -0.030862  0.220497  0.493615  0.243865  0.000000  0.036746 -0.255018  0.413212  0.177195  0.000000
                                 0.071595 -0.515414  0.023986  0.575562  0.000000  0.071595 -0.515414 -0.023986 -0.575562  0.000000
                                -0.058278  0.429905 -0.455965  0.177815  0.000000 -0.058278  0.429905  0.455965 -0.177815  0.000000
                                -0.000102 -0.000102  0.199312  0.199312 -0.212574 -0.212574  0.106857  0.106857 -0.119873 -0.119873

  56.1   0     0.9490  -14.1655 -0.096067  0.675475  0.041544 -0.228250  0.000000 -0.002131  0.029523 -0.075150  0.290794  0.000000
                                -0.041977  0.283982 -0.148686 -0.404974  0.000000  0.096067 -0.675475  0.041544 -0.228250  0.000000
                                 0.002131 -0.029523 -0.075150  0.290794  0.000000  0.041977 -0.283982 -0.148686 -0.404974  0.000000
                                -0.010560  0.093927  0.451791  0.336334  0.000000  0.010560 -0.093927  0.451791  0.336334  0.000000
                                 0.009870 -0.066561 -0.314158 -0.465202  0.000000 -0.009870  0.066561 -0.314158 -0.465202  0.000000
                                -0.004771  0.004771 -0.165229  0.165229 -0.356643  0.356643 -0.349960  0.349960  0.346916 -0.346916

  57.1   0     1.0183  -14.1498 -0.024878  0.172248  0.497087 -0.072392  0.000000  0.009029 -0.065585  0.254952 -0.156201  0.000000
                                -0.002101  0.020396  0.348892 -0.080362  0.000000 -0.024878  0.172248 -0.497087  0.072392  0.000000
                                 0.009029 -0.065585 -0.254952  0.156201  0.000000 -0.002101  0.020396 -0.348892  0.080362  0.000000
                                -0.014971  0.136377  0.666638  0.078921  0.000000 -0.014971  0.136377 -0.666638 -0.078921  0.000000
                                 0.029710 -0.226526 -0.097188 -0.610889  0.000000  0.029710 -0.226526  0.097188  0.610889  0.000000
                                 0.240268  0.240268  0.083417  0.083417 -0.244538 -0.244538  0.274059  0.274059 -0.378120 -0.378120

  58.1   0     1.0412  -14.8370  0.009342 -0.067125  0.165006 -0.474121  0.000000 -0.047612  0.351473  0.113796 -0.166263  0.000000
                                -0.020093  0.151788 -0.225127 -0.118328  0.000000 -0.009342  0.067125  0.165006 -0.474121  0.000000
                                 0.047612 -0.351473  0.113796 -0.166263  0.000000  0.020093 -0.151788 -0.225127 -0.118328  0.000000
                                 0.067325 -0.516806 -0.414099  0.622240  0.000000 -0.067325  0.516806 -0.414099  0.622240  0.000000
                                -0.076776  0.586906 -0.372324  0.547085  0.000000  0.076776 -0.586906 -0.372324  0.547085  0.000000
                                 0.059687 -0.059687 -0.040114  0.040114 -0.135387  0.135387  0.082193 -0.082193 -0.103732  0.103732

  59.1   0     1.1212  -15.8154 -0.002387  0.016878 -0.102548  0.712112  0.000000  0.009390 -0.069716 -0.528490  0.251220  0.000000
                                -0.008787  0.062138 -0.381911 -0.462632  0.000000 -0.002387  0.016878  0.102548 -0.712112  0.000000
                                 0.009390 -0.069716  0.528490 -0.251220  0.000000 -0.008787  0.062138  0.381911  0.462632  0.000000
                                -0.030122  0.241017  0.275546 -0.446899  0.000000 -0.030122  0.241017 -0.275546  0.446899  0.000000
                                 0.043050 -0.342509  0.229183 -0.333703  0.000000  0.043050 -0.342509 -0.229183  0.333703  0.000000
                                 0.061739  0.061739 -0.021608 -0.021608  0.145570  0.145570  0.039092  0.039092 -0.085676 -0.085676

  60.1   0     1.1431  -16.1550  0.034424 -0.258837  0.687854  0.159564  0.000000 -0.050224  0.373495 -0.211134 -0.558490  0.000000
                                 0.049900 -0.371866 -0.412000  0.465339  0.000000 -0.034424  0.258837  0.687854  0.159564  0.000000
                                 0.050224 -0.373495 -0.211134 -0.558490  0.000000 -0.049900  0.371866 -0.412000  0.465339  0.000000
                                 0.020785 -0.146361  0.387990  0.078750  0.000000 -0.020785  0.146361  0.387990  0.078750  0.000000
                                 0.002619 -0.028853 -0.073395 -0.231360  0.000000 -0.002619  0.028853 -0.073395 -0.231360  0.000000
                                 0.291724 -0.291724  0.258185 -0.258185 -0.081352  0.081352 -0.094093  0.094093  0.182544 -0.182544


 **********************************************************************************************************************************
 DATASETS  * FILE   NREC   LENGTH (MB)   RECORD NAMES
              1      19        5.38       500      610      700      900      950      970     1000     1100     1400     1410   
                                          VAR    BASINP    GEOM    SYMINP    ZMAT    AOBASIS   BASIS      S        T        V 
                                         1200     1210     1080     1600      129      960     1650     1300     1700   
                                          H0       H01     AOSYM     SMH      P2S    ABASIS   MOLCAS    ERIS     OPER   
 
              2       3        0.56       700     1000     2100   
                                         GEOM     BASIS     RHF  
 
 PROGRAMS   *        TOTAL        HF       INT
 CPU TIMES  *         3.12      0.58      2.43
 REAL TIME  *         3.99 SEC
 DISK USED  *        20.88 MB      
 **********************************************************************************************************************************


 PROGRAM * MATROP

 
 Overlap matrix loaded to S

 MATRIX S               

 SYMMETRY BLOCK 1.1
    1.00000000   0.24836240   0.00000000   0.00000000   0.00000000   0.00000063   0.03603334   0.04008405  -0.04433565   0.00000000
    0.00000000   0.00157513   0.00349629  -0.00117556   0.00000000   0.00000000   0.00031305   0.00083516   0.00016493   0.00000000
    0.00000000   0.00160580   0.00283837   0.00245485   0.00000000   0.00000060   0.03577997   0.01987447   0.05592865   0.00000000
    0.00000035   0.03323705  -0.05398710  -0.01159046   0.00000000   0.00000000   0.00000012   0.00000049   0.00000010   0.00000000
    0.00000000   0.00182513  -0.00403092   0.00120224   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    0.00502688   0.00008070   0.00504251   0.00008249   0.00465363   0.00000005   0.00000000   0.00012209   0.00000003   0.00103347
    0.24836240   1.00000000   0.00000000   0.00000000   0.00000000   0.03603334   0.35634501   0.25606975  -0.28323035   0.00000000
    0.00157513   0.05595688   0.07885347  -0.02651286   0.00000000   0.00031305   0.02228438   0.03566269   0.00704274   0.00000000
    0.00160580   0.05658420   0.06354652   0.05496014   0.00000000   0.03577997   0.35490288   0.12749416   0.35878058   0.00000000
    0.03323705   0.34011891  -0.36139628  -0.07758793   0.00000000   0.00000012   0.00031448   0.00067540   0.00013728   0.00000000
    0.00182513   0.06093873  -0.08596364   0.02563904   0.00000000   0.00000000   0.00001458   0.00003742  -0.00000100   0.00000000
    0.09214464   0.00594046   0.09235002   0.00602308   0.08719328   0.00007197   0.00000075   0.00770785   0.00005065   0.03081162
    0.00000000   0.00000000   1.00000000   0.00000000   0.00000000  -0.04008405  -0.25606975  -0.03343937   0.26556201   0.00000000
   -0.00349629  -0.07885347  -0.09910530   0.04112297   0.00000000  -0.00083516  -0.03566269  -0.05283141  -0.01210949   0.00000000
   -0.00283837  -0.06354652  -0.05509048  -0.06796224   0.00000000  -0.01987447  -0.12749416   0.14584673  -0.16803087   0.00000000
    0.05398710   0.36139628  -0.30198323  -0.10657222   0.00000000  -0.00000049  -0.00067540  -0.00136906  -0.00029888   0.00000000
    0.00403092   0.08596364  -0.10836315   0.03992670   0.00000000   0.00000000  -0.00003742  -0.00009173   0.00000258   0.00000000
    0.01293704  -0.00874407  -0.03364526  -0.00639581   0.09039301  -0.00014387  -0.00000198   0.01257940  -0.00010846   0.03451006
    0.00000000   0.00000000   0.00000000   1.00000000   0.00000000   0.04433565   0.28323035   0.26556201  -0.08707307   0.00000000
    0.00117556   0.02651286   0.04112297   0.00937420   0.00000000  -0.00016493  -0.00704274  -0.01210949   0.00609663   0.00000000
   -0.00245485  -0.05496014  -0.06796224  -0.03528977   0.00000000  -0.05592865  -0.35878058  -0.16803087  -0.26729751   0.00000000
    0.01159046   0.07758793  -0.10657222   0.17153882   0.00000000  -0.00000010  -0.00013728  -0.00029888   0.00004062   0.00000000
   -0.00120224  -0.02563904   0.03992670   0.01359645   0.00000000   0.00000000   0.00000100   0.00000258   0.00000453   0.00000000
   -0.11900627   0.00465236   0.11512443  -0.00773003   0.06957676  -0.00006010  -0.00000009  -0.00101655   0.00002679  -0.02909168
    0.00000000   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.20665637
    0.00000000   0.00000000   0.00000000   0.00000000   0.02320096   0.00000000   0.00000000   0.00000000   0.00000000   0.00848804
    0.00000000   0.00000000   0.00000000   0.00000000   0.02348944   0.00000000   0.00000000   0.00000000   0.00000000   0.20555719
    0.00000000   0.00000000   0.00000000   0.00000000   0.19441874   0.00000000   0.00000000   0.00000000   0.00000000   0.00010137
    0.00000000   0.00000000   0.00000000   0.00000000   0.02550477   0.00000000   0.00000000   0.00000000   0.00000000   0.00000460
    0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    0.00000063   0.03603334  -0.04008405   0.04433565   0.00000000   1.00000000   0.24836240   0.00000000   0.00000000   0.00000000
    0.00000077   0.03697262   0.06019105   0.01165570   0.00000000   0.00000000   0.00160580   0.00283837   0.00245485   0.00000000
    0.00000000   0.00039459   0.00033982   0.00099656   0.00000000   0.00000000   0.00171790  -0.00077698   0.00390908   0.00000000
    0.00000000   0.00143972  -0.00324627   0.00102347   0.00000000   0.00000000   0.00000293   0.00000910   0.00000531   0.00000000
    0.00000000   0.00000477  -0.00001479   0.00000789   0.00000000   0.00000000   0.00000016   0.00000061   0.00000013   0.00000000
    0.00008430   0.00526200   0.06102048   0.00001137   0.00108138   0.00000026   0.00000000   0.00000069   0.00000919   0.00000370
    0.03603334   0.35634501  -0.25606975   0.28323035   0.00000000   0.24836240   1.00000000   0.00000000   0.00000000   0.00000000
    0.03697262   0.36164388   0.37867793   0.07332912   0.00000000   0.00160580   0.05658420   0.06354652   0.05496014   0.00000000
    0.00039459   0.02538861   0.01320879   0.03873662   0.00000000   0.00171790   0.05883784  -0.01695455   0.08530059   0.00000000
    0.00143972   0.05312568  -0.07577251   0.02388923   0.00000000   0.00000293   0.00172107   0.00293556   0.00171227   0.00000000
    0.00000477   0.00223818  -0.00383302   0.00204341   0.00000000   0.00000016   0.00035773   0.00076016   0.00016641   0.00000000
    0.00610546   0.09521821   0.48574828   0.00177097   0.03176235   0.00018028   0.00001671   0.00032733   0.00155596   0.00089606
    0.04008405   0.25606975  -0.03343937   0.26556201   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   -0.06019105  -0.37867793  -0.30822555  -0.10049021   0.00000000  -0.00283837  -0.06354652  -0.05509048  -0.06796224   0.00000000
   -0.00033982  -0.01320879   0.00236724  -0.02171542   0.00000000   0.00077698   0.01695455   0.01914301   0.02710101   0.00000000
    0.00324627   0.07577251  -0.09684635   0.03743938   0.00000000  -0.00000910  -0.00293556  -0.00457942  -0.00300640   0.00000000
    0.00001479   0.00383302  -0.00602576   0.00361422   0.00000000  -0.00000061  -0.00076016  -0.00152332  -0.00035876   0.00000000
    0.00350916  -0.11888250   0.14256470  -0.00101716   0.04611295  -0.00028778  -0.00003766   0.00062414  -0.00282768   0.00123731
   -0.04433565  -0.28323035   0.26556201  -0.08707307   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   -0.01165570  -0.07332912  -0.10049021   0.19125516   0.00000000  -0.00245485  -0.05496014  -0.06796224  -0.03528977   0.00000000
   -0.00099656  -0.03873662  -0.02171542  -0.05391152   0.00000000  -0.00390908  -0.08530059   0.02710101  -0.11181915   0.00000000
   -0.00102347  -0.02388923   0.03743938   0.01010114   0.00000000  -0.00000531  -0.00171227  -0.00300640  -0.00117876   0.00000000
   -0.00000789  -0.00204341   0.00361422  -0.00117300   0.00000000  -0.00000013  -0.00016641  -0.00035876   0.00003698   0.00000000
   -0.00953546   0.03225931   0.44183345  -0.00302894   0.00511898  -0.00023558  -0.00000970  -0.00019248   0.00011372  -0.00114470
    0.00000000   0.00000000   0.00000000   0.00000000   0.20665637   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
    0.00000000   0.00000000   0.00000000   0.00000000   0.21071460   0.00000000   0.00000000   0.00000000   0.00000000   0.02348944
    0.00000000   0.00000000   0.00000000   0.00000000   0.00977197   0.00000000   0.00000000   0.00000000   0.00000000   0.02452967
    0.00000000   0.00000000   0.00000000   0.00000000   0.02190487   0.00000000   0.00000000   0.00000000   0.00000000   0.00057483
    0.00000000   0.00000000   0.00000000   0.00000000   0.00075377   0.00000000   0.00000000   0.00000000   0.00000000   0.00011552
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    0.00000370   0.00089606  -0.00123731   0.00114470   0.00000000   0.00000002   0.00004126  -0.00007967   0.00004589   0.00000000
    0.00000000   0.00000027  -0.00000073   0.00000010   0.00000000   0.00515845   0.09386871  -0.03772484   0.11566177   0.00000000
    0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.06142351   0.48736474   0.09580076   0.45527134   0.00000000
    0.00000223   0.14004399   0.00065488   0.00025307   0.00000031   0.01373228   0.13132245   0.00000000   1.00000000   0.00000001
    0.00103347   0.03081162   0.03451006  -0.02909168   0.00000000   0.00000370   0.00089606   0.00123731  -0.00114470   0.00000000
    0.00000002   0.00004126   0.00007967  -0.00004589   0.00000000   0.00000003   0.00005065   0.00010846  -0.00002679   0.00000000
    0.00000919   0.00155596   0.00282768  -0.00011372   0.00000000   0.00156605   0.04079724   0.05736983  -0.00952008   0.00000000
    0.00515845   0.09386871   0.03772484  -0.11566177   0.00000000   0.00000000   0.00000027   0.00000073  -0.00000010   0.00000000
    0.06142351   0.48736474  -0.09580076  -0.45527134   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000   0.00000000
    0.14004399   0.00000223   0.00025307   0.00065488   0.01373228   0.00000031   0.00000000   0.13132245   0.00000001   1.00000000


 **********************************************************************************************************************************
 DATASETS  * FILE   NREC   LENGTH (MB)   RECORD NAMES
              1      19        5.38       500      610      700      900      950      970     1000     1100     1400     1410   
                                          VAR    BASINP    GEOM    SYMINP    ZMAT    AOBASIS   BASIS      S        T        V 
                                         1200     1210     1080     1600      129      960     1650     1300     1700   
                                          H0       H01     AOSYM     SMH      P2S    ABASIS   MOLCAS    ERIS     OPER   
 
              2       3        0.56       700     1000     2100   
                                         GEOM     BASIS     RHF  
 
 PROGRAMS   *        TOTAL    MATROP        HF       INT
 CPU TIMES  *         3.13      0.01      0.58      2.43
 REAL TIME  *         4.00 SEC
 DISK USED  *        20.88 MB      
 **********************************************************************************************************************************

        HF-SCF  
   -379.74661001
 **********************************************************************************************************************************
 Variable memory released