IRIX64 chmsgi 6.2 03131016 IP25
 Entering Gaussian System, Link 0=g94
 Initial command:
 /usr/local/g94.new/g94/l1.exe /worklv/serial1/14785.chmsgi.chem.tamu.edu/tst18622/g94-18630.inp -scrdir=/worklv/serial1/14785.chmsg
 Entering Link 1 = /usr/local/g94.new/g94/l1.exe PID=     18634.

       Copyright (c) 1988,1990,1992,1993,1995 Gaussian, Inc.
                     All Rights Reserved.

 This is part of the Gaussian 94(TM) system of programs. It is
 based on the the Gaussian 92(TM) system (copyright 1992
 Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990
 Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988
 Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986
 Carnegie Mellon University), and the Gaussian 82(TM) system
 (copyright 1983 Carnegie Mellon University). Gaussian is a
 federally registered trademark of Gaussian, Inc.

 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.

 The following legend is applicable only to US Government
 contracts under DFARS:

                    RESTRICTED RIGHTS LEGEND

 Use, duplication or disclosure by the US Government is subject
 to restrictions as set forth in subparagraph (c)(1)(ii) of the
 Rights in Technical Data and Computer Software clause at DFARS
 252.227-7013.

 Gaussian, Inc.
 Carnegie Office Park, Building 6, Pittsburgh, PA 15106 USA

 The following legend is applicable only to US Government
 contracts under FAR:

                    RESTRICTED RIGHTS LEGEND

 Use, reproduction and disclosure by the US Government is subject
 to restrictions as set forth in subparagraph (c) of the
 Commercial Computer Software - Restricted Rights clause at FAR
 52.227-19.

 Gaussian, Inc.
 Carnegie Office Park, Building 6, Pittsburgh, PA 15106 USA


 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------

 Cite this work as:
 Gaussian 94, Revision D.4,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill,
 B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith,
 G. A. Petersson, J. A. Montgomery, K. Raghavachari,
 M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman,
 J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe,
 C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres,
 E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox,
 J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart,
 M. Head-Gordon, C. Gonzalez, and J. A. Pople,
 Gaussian, Inc., Pittsburgh PA, 1995.

 ***************************************
 Gaussian 94:  SGI-G94RevD.4  6-Jul-1996
               18-Feb-1998
 ***************************************
 %MEM=2000000
 --------------------------------------------
 # rhf/6-31G scf=direct pop=full test Gfinput
 --------------------------------------------
 1/38=1/1;
 2/12=2,17=6,18=5/2;
 3/5=1,6=6,11=1,24=10,25=1,30=1/1,2,3;
 4/7=1/1;
 5/5=2,32=1,38=4/2;
 6/7=3,19=1,28=1/1;
 99/5=1,9=1/99;
 -------------------------
 C6f3h3, very small BASIS.
 -------------------------
 Symbolic Z-matrix:
    Charge = 0 Multiplicity = 1
 C
 F     1     CF
 C     1     CC        2     A
 H     3     CH        1     A         2     ZE        0
 C     3     CC        1     A         4     PI        0
 F     5     CF        3     A         4     ZE        0
 C     5     CC        3     A         6     PI        0
 H     7     CH        5     A         6     ZE        0
 C     7     CC        5     A         8     PI        0
 F     9     CF        7     A         8     ZE        0
 C     9     CC        7     A         10    PI        0
 H     11    CH        9     A         10    ZE        0
       Variables:
  CF                    0.6982
  CC                    0.86113
  CH                    0.58686
  A                   120.
  ZE                    0.
  PI                  180.
 ------------------------------------------------------------------------
                         Z-MATRIX (ANGSTROMS AND DEGREES)
 CD Cent Atom  N1     Length/X     N2    Alpha/Y     N3     Beta/Z      J
 ------------------------------------------------------------------------
   1   1  C
   2   2  F     1   0.698196(  1)
   3   3  C     1   0.861130(  2)   2  120.000( 12)
   4   4  H     3   0.586857(  3)   1  120.000( 13)   2    0.000( 22)   0
   5   5  C     3   0.861130(  4)   1  120.000( 14)   4  180.000( 23)   0
   6   6  F     5   0.698196(  5)   3  120.000( 15)   4    0.000( 24)   0
   7   7  C     5   0.861130(  6)   3  120.000( 16)   6  180.000( 25)   0
   8   8  H     7   0.586857(  7)   5  120.000( 17)   6    0.000( 26)   0
   9   9  C     7   0.861130(  8)   5  120.000( 18)   8  180.000( 27)   0
  10  10  F     9   0.698196(  9)   7  120.000( 19)   8    0.000( 28)   0
  11  11  C     9   0.861130( 10)   7  120.000( 20)  10  180.000( 29)   0
  12  12  H    11   0.586857( 11)   9  120.000( 21)  10    0.000( 30)   0
 ------------------------------------------------------------------------
                  Z-Matrix orientation:
 ----------------------------------------------------------
 Center     Atomic              Coordinates (Angstroms)
 Number     Number             X           Y           Z
 ----------------------------------------------------------
    1          6           0.000000    0.000000    0.000000
    2          9           0.000000    0.000000    0.698196
    3          6           0.745760    0.000000   -0.430565
    4          1           1.253994    0.000000   -0.137136
    5          6           0.745760    0.000000   -1.291695
    6          9           1.350416    0.000000   -1.640793
    7          6           0.000000    0.000000   -1.722260
    8          1           0.000000    0.000000   -2.309117
    9          6          -0.745760    0.000000   -1.291695
   10          9          -1.350416    0.000000   -1.640793
   11          6          -0.745760    0.000000   -0.430565
   12          1          -1.253994    0.000000   -0.137136
 ----------------------------------------------------------
                    Distance matrix (angstroms):
              1          2          3          4          5
  1  C    0.000000
  2  F    0.698196   0.000000
  3  C    0.861130   1.352871   0.000000
  4  H    1.261470   1.506745   0.586857   0.000000
  5  C    1.491521   2.125047   0.861130   1.261470   0.000000
  6  F    2.125047   2.700832   1.352871   1.506745   0.698196
  7  C    1.722260   2.420456   1.491521   2.021167   0.861130
  8  H    2.309117   3.007313   2.021167   2.507987   1.261470
  9  C    1.491521   2.125047   1.722260   2.309117   1.491521
 10  F    2.125047   2.700832   2.420456   3.007313   2.125047
 11  C    0.861130   1.352871   1.491521   2.021167   1.722260
 12  H    1.261470   1.506745   2.021167   2.507987   2.309117
              6          7          8          9         10
  6  F    0.000000
  7  C    1.352871   0.000000
  8  H    1.506745   0.586857   0.000000
  9  C    2.125047   0.861130   1.261470   0.000000
 10  F    2.700832   1.352871   1.506745   0.698196   0.000000
 11  C    2.420456   1.491521   2.021167   0.861130   1.352871
 12  H    3.007313   2.021167   2.507987   1.261470   1.506745
             11         12
 11  C    0.000000
 12  H    0.586857   0.000000
                           Interatomic angles:
       F2-C1-C3=120.           C1-C3-H4=120.           C1-C3-C5=120.
       H4-C3-C5=120.           C3-C5-F6=120.           C3-C5-C7=120.
       F6-C5-C7=120.           C5-C7-H8=120.           C5-C7-C9=120.
       H8-C7-C9=120.          C7-C9-F10=120.          C7-C9-C11=120.
     F10-C9-C11=120.         C9-C11-H12=120.
 Stoichiometry    C6H3F3
 Framework group  D3H[3C2(HC.CF)]
 Deg. of freedom    4
 Full point group                 D3H     NOp  12
 Largest Abelian subgroup         C2V     NOp   4
 Largest concise Abelian subgroup C2      NOp   2
                   Standard orientation:
 ----------------------------------------------------------
 Center     Atomic              Coordinates (Angstroms)
 Number     Number             X           Y           Z
 ----------------------------------------------------------
    1          6           0.000000    0.861130    0.000000
    2          9           0.000000    1.559326    0.000000
    3          6           0.745760    0.430565    0.000000
    4          1           1.253994    0.723993    0.000000
    5          6           0.745760   -0.430565    0.000000
    6          9           1.350416   -0.779663    0.000000
    7          6           0.000000   -0.861130    0.000000
    8          1           0.000000   -1.447987    0.000000
    9          6          -0.745760   -0.430565    0.000000
   10          9          -1.350416   -0.779663    0.000000
   11          6          -0.745760    0.430565    0.000000
   12          1          -1.253994    0.723993    0.000000
 ----------------------------------------------------------
 Rotational constants (GHZ):      5.0967522      5.0967522      2.5483761
 Isotopes: C-12,F-19,C-12,H-1,C-12,F-19,C-12,H-1,C-12,F-19,C-12,H-1
 Standard basis: 6-31G (6D, 7F)
 Basis set in the form of general basis input:
  1 0
 S    6 1.00
  0.3047524880D+04  0.1834737130D-02
  0.4573695180D+03  0.1403732280D-01
  0.1039486850D+03  0.6884262220D-01
  0.2921015530D+02  0.2321844430D+00
  0.9286662960D+01  0.4679413480D+00
  0.3163926960D+01  0.3623119850D+00
 SP   3 1.00
  0.7868272350D+01 -0.1193324200D+00  0.6899906660D-01
  0.1881288540D+01 -0.1608541520D+00  0.3164239610D+00
  0.5442492580D+00  0.1143456440D+01  0.7443082910D+00
 SP   1 1.00
  0.1687144782D+00  0.1000000000D+01  0.1000000000D+01
 ****
  2 0
 S    6 1.00
  0.7001713090D+04  0.1819616900D-02
  0.1051366090D+04  0.1391607960D-01
  0.2392856900D+03  0.6840532450D-01
  0.6739744530D+02  0.2331857600D+00
  0.2151995730D+02  0.4712674390D+00
  0.7403101300D+01  0.3566185460D+00
 SP   3 1.00
  0.2084795280D+02 -0.1085069750D+00  0.7162872430D-01
  0.4808308340D+01 -0.1464516580D+00  0.3459121030D+00
  0.1344069860D+01  0.1128688580D+01  0.7224699570D+00
 SP   1 1.00
  0.3581513930D+00  0.1000000000D+01  0.1000000000D+01
 ****
  3 0
 S    6 1.00
  0.3047524880D+04  0.1834737130D-02
  0.4573695180D+03  0.1403732280D-01
  0.1039486850D+03  0.6884262220D-01
  0.2921015530D+02  0.2321844430D+00
  0.9286662960D+01  0.4679413480D+00
  0.3163926960D+01  0.3623119850D+00
 SP   3 1.00
  0.7868272350D+01 -0.1193324200D+00  0.6899906660D-01
  0.1881288540D+01 -0.1608541520D+00  0.3164239610D+00
  0.5442492580D+00  0.1143456440D+01  0.7443082910D+00
 SP   1 1.00
  0.1687144782D+00  0.1000000000D+01  0.1000000000D+01
 ****
  4 0
 S    3 1.00
  0.1873113696D+02  0.3349460434D-01
  0.2825394365D+01  0.2347269535D+00
  0.6401216923D+00  0.8137573262D+00
 S    1 1.00
  0.1612777588D+00  0.1000000000D+01
 ****
  5 0
 S    6 1.00
  0.3047524880D+04  0.1834737130D-02
  0.4573695180D+03  0.1403732280D-01
  0.1039486850D+03  0.6884262220D-01
  0.2921015530D+02  0.2321844430D+00
  0.9286662960D+01  0.4679413480D+00
  0.3163926960D+01  0.3623119850D+00
 SP   3 1.00
  0.7868272350D+01 -0.1193324200D+00  0.6899906660D-01
  0.1881288540D+01 -0.1608541520D+00  0.3164239610D+00
  0.5442492580D+00  0.1143456440D+01  0.7443082910D+00
 SP   1 1.00
  0.1687144782D+00  0.1000000000D+01  0.1000000000D+01
 ****
  6 0
 S    6 1.00
  0.7001713090D+04  0.1819616900D-02
  0.1051366090D+04  0.1391607960D-01
  0.2392856900D+03  0.6840532450D-01
  0.6739744530D+02  0.2331857600D+00
  0.2151995730D+02  0.4712674390D+00
  0.7403101300D+01  0.3566185460D+00
 SP   3 1.00
  0.2084795280D+02 -0.1085069750D+00  0.7162872430D-01
  0.4808308340D+01 -0.1464516580D+00  0.3459121030D+00
  0.1344069860D+01  0.1128688580D+01  0.7224699570D+00
 SP   1 1.00
  0.3581513930D+00  0.1000000000D+01  0.1000000000D+01
 ****
  7 0
 S    6 1.00
  0.3047524880D+04  0.1834737130D-02
  0.4573695180D+03  0.1403732280D-01
  0.1039486850D+03  0.6884262220D-01
  0.2921015530D+02  0.2321844430D+00
  0.9286662960D+01  0.4679413480D+00
  0.3163926960D+01  0.3623119850D+00
 SP   3 1.00
  0.7868272350D+01 -0.1193324200D+00  0.6899906660D-01
  0.1881288540D+01 -0.1608541520D+00  0.3164239610D+00
  0.5442492580D+00  0.1143456440D+01  0.7443082910D+00
 SP   1 1.00
  0.1687144782D+00  0.1000000000D+01  0.1000000000D+01
 ****
  8 0
 S    3 1.00
  0.1873113696D+02  0.3349460434D-01
  0.2825394365D+01  0.2347269535D+00
  0.6401216923D+00  0.8137573262D+00
 S    1 1.00
  0.1612777588D+00  0.1000000000D+01
 ****
  9 0
 S    6 1.00
  0.3047524880D+04  0.1834737130D-02
  0.4573695180D+03  0.1403732280D-01
  0.1039486850D+03  0.6884262220D-01
  0.2921015530D+02  0.2321844430D+00
  0.9286662960D+01  0.4679413480D+00
  0.3163926960D+01  0.3623119850D+00
 SP   3 1.00
  0.7868272350D+01 -0.1193324200D+00  0.6899906660D-01
  0.1881288540D+01 -0.1608541520D+00  0.3164239610D+00
  0.5442492580D+00  0.1143456440D+01  0.7443082910D+00
 SP   1 1.00
  0.1687144782D+00  0.1000000000D+01  0.1000000000D+01
 ****
 10 0
 S    6 1.00
  0.7001713090D+04  0.1819616900D-02
  0.1051366090D+04  0.1391607960D-01
  0.2392856900D+03  0.6840532450D-01
  0.6739744530D+02  0.2331857600D+00
  0.2151995730D+02  0.4712674390D+00
  0.7403101300D+01  0.3566185460D+00
 SP   3 1.00
  0.2084795280D+02 -0.1085069750D+00  0.7162872430D-01
  0.4808308340D+01 -0.1464516580D+00  0.3459121030D+00
  0.1344069860D+01  0.1128688580D+01  0.7224699570D+00
 SP   1 1.00
  0.3581513930D+00  0.1000000000D+01  0.1000000000D+01
 ****
 11 0
 S    6 1.00
  0.3047524880D+04  0.1834737130D-02
  0.4573695180D+03  0.1403732280D-01
  0.1039486850D+03  0.6884262220D-01
  0.2921015530D+02  0.2321844430D+00
  0.9286662960D+01  0.4679413480D+00
  0.3163926960D+01  0.3623119850D+00
 SP   3 1.00
  0.7868272350D+01 -0.1193324200D+00  0.6899906660D-01
  0.1881288540D+01 -0.1608541520D+00  0.3164239610D+00
  0.5442492580D+00  0.1143456440D+01  0.7443082910D+00
 SP   1 1.00
  0.1687144782D+00  0.1000000000D+01  0.1000000000D+01
 ****
 12 0
 S    3 1.00
  0.1873113696D+02  0.3349460434D-01
  0.2825394365D+01  0.2347269535D+00
  0.6401216923D+00  0.8137573262D+00
 S    1 1.00
  0.1612777588D+00  0.1000000000D+01
 ****

 There are    40 symmetry adapted basis functions of A1  symmetry.
 There are     6 symmetry adapted basis functions of A2  symmetry.
 There are    29 symmetry adapted basis functions of B1  symmetry.
 There are    12 symmetry adapted basis functions of B2  symmetry.
 Crude estimate of integral set expansion from redundant integrals=1.013.
 Integral buffers will be    262144 words long.
 Raffenetti 1 integral format.
 Two-electron integral symmetry is turned on.
    87 basis functions      210 primitive gaussians
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       725.0131532363 Hartrees.
 One-electron integrals computed using PRISM.
 The smallest eigenvalue of the overlap matrix is  1.292D-05
 Projected INDO Guess.
 Initial guess orbital symmetries:
       Occupied  (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A) (?A) (A1')
                 (E') (E') (A1') (A2") (E') (E') (A2') (E") (E")
                 (E') (E') (A1') (A1') (E') (E') (A2") (E') (E')
                 (E") (E") (E') (E') (A2')
       Virtual   (A1') (A1') (E') (E') (E') (E') (E") (E") (E')
                 (E') (E') (E') (A2") (A1') (A2') (?B) (?B) (?B)
                 (?C) (?B) (?B) (?B) (?C) (?B) (?B) (?B) (?C) (?B)
                 (?B) (?B) (?C) (?B) (?B) (?B) (?C) (?B) (?B) (?B)
                 (?B) (?B) (?C) (?B) (?B) (?B) (?C) (?B) (?C) (?B)
                 (?B) (?B) (?B) (?B) (?C) (?B)
 Warning!  Cutoffs for single-point calculations used.
 Requested convergence on RMS density matrix=1.00D-04 within  64 cycles.
 Requested convergence on MAX density matrix=1.00D-02.
 Requested convergence on             energy=5.00D-05.
 Convergence on energy, delta-E=4.30D-06
 SCF Done:  E(RHF) =  -514.100396169     A.U. after    7 cycles
             Convg  =    0.1927D-03             -V/T =  1.8899
             S**2   =   0.0000

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

            Population analysis using the SCF density.

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

 Orbital Symmetries:
       Occupied  (E') (E') (A1') (A1') (E') (E') (E') (E') (A1')
                 (A1') (E') (E') (A1') (E') (E') (A2') (A2") (E")
                 (E") (A1') (E') (E') (E') (E') (A1') (E') (E')
                 (A2") (E') (E') (A2') (E") (E")
       Virtual   (A1') (E') (E') (A1') (E') (E') (A2") (E") (E")
                 (A1') (E") (E") (A2') (E') (E') (A2") (E') (E')
                 (E') (E') (A1') (E") (E") (A2') (E') (E') (E')
                 (E') (A2") (A1') (A2") (A1') (E") (E") (E') (E')
                 (E') (E') (A2') (E') (E') (A1') (E') (E') (A1')
                 (E') (E') (A2') (E') (E') (A1') (E') (E') (A1')
  The electronic state is 1-A1'.
 Alpha  occ. eigenvalues --  -26.33096 -26.33096 -26.33096 -11.42064 -11.41598
 Alpha  occ. eigenvalues --  -11.41598 -11.02544 -11.02544 -11.02065  -2.15791
 Alpha  occ. eigenvalues --   -2.15689  -2.15689  -1.65249  -1.40099  -1.40099
 Alpha  occ. eigenvalues --   -1.35027  -1.25213  -1.12533  -1.12533  -0.96987
 Alpha  occ. eigenvalues --   -0.96230  -0.96230  -0.90456  -0.90456  -0.84207
 Alpha  occ. eigenvalues --   -0.67543  -0.67543  -0.55228  -0.35911  -0.35911
 Alpha  occ. eigenvalues --   -0.32779  -0.32243  -0.32243
 Alpha virt. eigenvalues --    0.31890   0.32698   0.32698   0.45795   0.47224
 Alpha virt. eigenvalues --    0.47224   0.50504   0.54899   0.54899   0.60744
 Alpha virt. eigenvalues --    0.61294   0.61294   0.64766   0.66545   0.66545
 Alpha virt. eigenvalues --    0.70011   0.85021   0.85021   0.88679   0.88679
 Alpha virt. eigenvalues --    0.99511   0.99791   0.99791   1.05861   1.08676
 Alpha virt. eigenvalues --    1.08676   1.12623   1.12623   1.30575   1.31672
 Alpha virt. eigenvalues --    1.84007   1.87009   1.88218   1.88218   1.89982
 Alpha virt. eigenvalues --    1.89982   1.98806   1.98806   2.02739   2.30272
 Alpha virt. eigenvalues --    2.30272   2.31469   2.67921   2.67921   2.97853
 Alpha virt. eigenvalues --    3.25509   3.25509   3.48117   3.82688   3.82688
 Alpha virt. eigenvalues --    4.04759   4.10364   4.10364   5.33210
     Molecular Orbital Coefficients
                           1         2         3         4         5
                        (E')--O   (E')--O  (A1')--O  (A1')--O   (E')--O
     EIGENVALUES --   -26.33096 -26.33096 -26.33096 -11.42064 -11.41598
   1 1   C  1S         -0.00040   0.00000  -0.00007   0.56790   0.80814
   2        2S         -0.00231   0.00000  -0.00032   0.02434   0.03540
   3        2PX         0.00000   0.00037   0.00000   0.00000   0.00000
   4        2PY        -0.00228   0.00000  -0.00143   0.01147   0.01060
   5        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
   6        3S          0.03956   0.00000   0.10251   0.27516   0.04065
   7        3PX         0.00000   0.00445   0.00000   0.00000   0.00000
   8        3PY        -0.01045   0.00000  -0.02279  -0.06683  -0.01482
   9        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  10 2   F  1S          0.81237   0.00000   0.57443  -0.00611  -0.00861
  11        2S          0.02322   0.00000   0.01632   0.00638   0.01066
  12        2PX         0.00000   0.00000   0.00000   0.00000   0.00000
  13        2PY        -0.00507   0.00000  -0.00349  -0.00809  -0.01237
  14        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        3S         -0.01102   0.00000  -0.00951  -0.02463  -0.02672
  16        3PX         0.00000   0.00008   0.00000   0.00000   0.00000
  17        3PY         0.00428   0.00000   0.00332   0.01396   0.01748
  18        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  19 3   C  1S          0.00006   0.00010   0.00018   0.06643   0.02379
  20        2S          0.00058   0.00100   0.00177   0.01125   0.00205
  21        2PX        -0.00032   0.00083   0.00062  -0.00583  -0.00510
  22        2PY         0.00119  -0.00032   0.00036  -0.00336   0.00488
  23        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  24        3S         -0.01638  -0.02838  -0.08707  -0.24107  -0.01757
  25        3PX         0.00706   0.01288   0.02591   0.07352   0.01183
  26        3PY         0.00473   0.00706   0.01496   0.04245   0.00910
  27        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  28 4   H  1S         -0.00031  -0.00053  -0.00067   0.00137   0.00054
  29        2S         -0.00528  -0.00915  -0.01164  -0.03107  -0.01056
  30 5   C  1S          0.00020  -0.00035  -0.00007   0.56790  -0.40407
  31        2S          0.00115  -0.00200  -0.00032   0.02434  -0.01770
  32        2PX         0.00115  -0.00161  -0.00124   0.00993  -0.00387
  33        2PY        -0.00029   0.00115   0.00072  -0.00574   0.00390
  34        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  35        3S         -0.01978   0.03426   0.10251   0.27516  -0.02033
  36        3PX         0.00645  -0.00673  -0.01973  -0.05788   0.00794
  37        3PY         0.00072   0.00645   0.01139   0.03342  -0.00107
  38        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  39 6   F  1S         -0.40619   0.70354   0.57443  -0.00611   0.00431
  40        2S         -0.01161   0.02011   0.01632   0.00638  -0.00533
  41        2PX         0.00220  -0.00380  -0.00302  -0.00701   0.00528
  42        2PY        -0.00127   0.00220   0.00175   0.00405  -0.00322
  43        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  44        3S          0.00551  -0.00954  -0.00951  -0.02463   0.01336
  45        3PX        -0.00182   0.00323   0.00288   0.01209  -0.00723
  46        3PY         0.00113  -0.00182  -0.00166  -0.00698   0.00496
  47        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  48 7   C  1S         -0.00012   0.00000   0.00018   0.06643  -0.04758
  49        2S         -0.00116   0.00000   0.00177   0.01125  -0.00410
  50        2PX         0.00000   0.00138   0.00000   0.00000   0.00000
  51        2PY         0.00065   0.00000  -0.00071   0.00673  -0.00395
  52        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  53        3S          0.03277   0.00000  -0.08707  -0.24107   0.03514
  54        3PX         0.00000   0.00066   0.00000   0.00000   0.00000
  55        3PY         0.01696   0.00000  -0.02992  -0.08490   0.02960
  56        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  57 8   H  1S          0.00061   0.00000  -0.00067   0.00137  -0.00109
  58        2S          0.01057   0.00000  -0.01164  -0.03107   0.02112
  59 9   C  1S          0.00020   0.00035  -0.00007   0.56790  -0.40407
  60        2S          0.00115   0.00200  -0.00032   0.02434  -0.01770
  61        2PX        -0.00115  -0.00161   0.00124  -0.00993   0.00387
  62        2PY        -0.00029  -0.00115   0.00072  -0.00574   0.00390
  63        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  64        3S         -0.01978  -0.03426   0.10251   0.27516  -0.02033
  65        3PX        -0.00645  -0.00673   0.01973   0.05788  -0.00794
  66        3PY         0.00072  -0.00645   0.01139   0.03342  -0.00107
  67        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  68 10  F  1S         -0.40619  -0.70354   0.57443  -0.00611   0.00431
  69        2S         -0.01161  -0.02011   0.01632   0.00638  -0.00533
  70        2PX        -0.00220  -0.00380   0.00302   0.00701  -0.00528
  71        2PY        -0.00127  -0.00220   0.00175   0.00405  -0.00322
  72        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  73        3S          0.00551   0.00954  -0.00951  -0.02463   0.01336
  74        3PX         0.00182   0.00323  -0.00288  -0.01209   0.00723
  75        3PY         0.00113   0.00182  -0.00166  -0.00698   0.00496
  76        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  77 11  C  1S          0.00006  -0.00010   0.00018   0.06643   0.02379
  78        2S          0.00058  -0.00100   0.00177   0.01125   0.00205
  79        2PX         0.00032   0.00083  -0.00062   0.00583   0.00510
  80        2PY         0.00119   0.00032   0.00036  -0.00336   0.00488
  81        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  82        3S         -0.01638   0.02838  -0.08707  -0.24107  -0.01757
  83        3PX        -0.00706   0.01288  -0.02591  -0.07352  -0.01183
  84        3PY         0.00473  -0.00706   0.01496   0.04245   0.00910
  85        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  86 12  H  1S         -0.00031   0.00053  -0.00067   0.00137   0.00054
  87        2S         -0.00528   0.00915  -0.01164  -0.03107  -0.01056
                           6         7         8         9        10
                        (E')--O   (E')--O   (E')--O  (A1')--O  (A1')--O
     EIGENVALUES --   -11.41598 -11.02544 -11.02544 -11.02065  -2.15791
   1 1   C  1S          0.00000   0.05499   0.00000  -0.07499  -0.12320
   2        2S          0.00000   0.00392   0.00000  -0.00050   0.18839
   3        2PX         0.00167   0.00000   0.00852   0.00000   0.00000
   4        2PY         0.00000   0.00198   0.00000  -0.00293   0.21124
   5        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
   6        3S          0.00000  -0.03618   0.00000   0.16680   1.86109
   7        3PX         0.00352   0.00000   0.04987   0.00000   0.00000
   8        3PY         0.00000   0.01025   0.00000  -0.03459  -0.49625
   9        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  10 2   F  1S          0.00000  -0.00070   0.00000   0.00098  -0.13203
  11        2S          0.00000  -0.00011   0.00000   0.00029   0.26565
  12        2PX        -0.00018   0.00000  -0.00056   0.00000   0.00000
  13        2PY         0.00000  -0.00089   0.00000   0.00151  -0.15680
  14        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        3S          0.00000   0.00084   0.00000  -0.00623  -0.00318
  16        3PX         0.00078   0.00000  -0.00590   0.00000   0.00000
  17        3PY         0.00000   0.00041   0.00000   0.00124   0.09814
  18        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  19 3   C  1S          0.04121  -0.40425   0.70019   0.56968  -0.02498
  20        2S          0.00355  -0.01359   0.02354   0.02148   0.07415
  21        2PX        -0.00100   0.00219  -0.00229   0.00090  -0.00281
  22        2PY        -0.00510  -0.00024  -0.00219   0.00052  -0.00162
  23        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  24        3S         -0.03043   0.07800  -0.13511  -0.16311  -1.70801
  25        3PX         0.02277  -0.00020   0.01674   0.03552   0.45599
  26        3PY         0.01183  -0.01651   0.00020   0.02051   0.26327
  27        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  28 4   H  1S          0.00094  -0.00288   0.00498   0.00142   0.01800
  29        2S         -0.01829  -0.00248   0.00429  -0.00550  -0.12223
  30 5   C  1S          0.69987  -0.02749  -0.04762  -0.07499  -0.12320
  31        2S          0.03066  -0.00196  -0.00339  -0.00050   0.18839
  32        2PX         0.00837  -0.00454   0.00065  -0.00253   0.18294
  33        2PY        -0.00387  -0.00589   0.00454   0.00146  -0.10562
  34        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  35        3S          0.03520   0.01809   0.03133   0.16680   1.86109
  36        3PX        -0.01024  -0.02603   0.00478  -0.02996  -0.42977
  37        3PY         0.00794  -0.03484   0.02603   0.01730   0.24813
  38        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  39 6   F  1S         -0.00746   0.00035   0.00061   0.00098  -0.13203
  40        2S          0.00923   0.00005   0.00009   0.00029   0.26565
  41        2PX        -0.00932   0.00063   0.00053   0.00130  -0.13579
  42        2PY         0.00528   0.00020  -0.00063  -0.00075   0.07840
  43        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  44        3S         -0.02314  -0.00042  -0.00073  -0.00623  -0.00318
  45        3PX         0.01331   0.00238  -0.00178   0.00107   0.08499
  46        3PY        -0.00723   0.00453  -0.00238  -0.00062  -0.04907
  47        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  48 7   C  1S          0.00000   0.80851   0.00000   0.56968  -0.02498
  49        2S          0.00000   0.02718   0.00000   0.02148   0.07415
  50        2PX         0.00782   0.00000   0.00150   0.00000   0.00000
  51        2PY         0.00000   0.00355   0.00000  -0.00104   0.00325
  52        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  53        3S          0.00000  -0.15601   0.00000  -0.16311  -1.70801
  54        3PX         0.00227   0.00000   0.01639   0.00000   0.00000
  55        3PY         0.00000  -0.01686   0.00000  -0.04102  -0.52653
  56        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  57 8   H  1S          0.00000   0.00575   0.00000   0.00142   0.01800
  58        2S          0.00000   0.00495   0.00000  -0.00550  -0.12223
  59 9   C  1S         -0.69987  -0.02749   0.04762  -0.07499  -0.12320
  60        2S         -0.03066  -0.00196   0.00339  -0.00050   0.18839
  61        2PX         0.00837   0.00454   0.00065   0.00253  -0.18294
  62        2PY         0.00387  -0.00589  -0.00454   0.00146  -0.10562
  63        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  64        3S         -0.03520   0.01809  -0.03133   0.16680   1.86109
  65        3PX        -0.01024   0.02603   0.00478   0.02996   0.42977
  66        3PY        -0.00794  -0.03484  -0.02603   0.01730   0.24813
  67        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  68 10  F  1S          0.00746   0.00035  -0.00061   0.00098  -0.13203
  69        2S         -0.00923   0.00005  -0.00009   0.00029   0.26565
  70        2PX        -0.00932  -0.00063   0.00053  -0.00130   0.13579
  71        2PY        -0.00528   0.00020   0.00063  -0.00075   0.07840
  72        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  73        3S          0.02314  -0.00042   0.00073  -0.00623  -0.00318
  74        3PX         0.01331  -0.00238  -0.00178  -0.00107  -0.08499
  75        3PY         0.00723   0.00453   0.00238  -0.00062  -0.04907
  76        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  77 11  C  1S         -0.04121  -0.40425  -0.70019   0.56968  -0.02498
  78        2S         -0.00355  -0.01359  -0.02354   0.02148   0.07415
  79        2PX        -0.00100  -0.00219  -0.00229  -0.00090   0.00281
  80        2PY         0.00510  -0.00024   0.00219   0.00052  -0.00162
  81        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  82        3S          0.03043   0.07800   0.13511  -0.16311  -1.70801
  83        3PX         0.02277   0.00020   0.01674  -0.03552  -0.45599
  84        3PY        -0.01183  -0.01651  -0.00020   0.02051   0.26327
  85        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  86 12  H  1S         -0.00094  -0.00288  -0.00498   0.00142   0.01800
  87        2S          0.01829  -0.00248  -0.00429  -0.00550  -0.12223
                          11        12        13        14        15
                        (E')--O   (E')--O  (A1')--O   (E')--O   (E')--O
     EIGENVALUES --    -2.15689  -2.15689  -1.65249  -1.40099  -1.40099
   1 1   C  1S         -0.17889   0.00000  -0.11670  -0.00050   0.00000
   2        2S          0.25301   0.00000   0.09849   0.06671   0.00000
   3        2PX         0.00000  -0.00225   0.00000   0.00000  -0.43610
   4        2PY         0.31002   0.00000  -0.23472  -0.05227   0.00000
   5        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
   6        3S          0.25986   0.00000  -0.32788   0.52657   0.00000
   7        3PX         0.00000  -0.16264   0.00000   0.00000  -0.30526
   8        3PY        -0.21966   0.00000   0.08357  -0.17280   0.00000
   9        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  10 2   F  1S         -0.18786   0.00000   0.01730   0.00870   0.00000
  11        2S          0.37539   0.00000  -0.02273  -0.02545   0.00000
  12        2PX         0.00000  -0.00050   0.00000   0.00000  -0.32213
  13        2PY        -0.22013   0.00000   0.03670   0.01469   0.00000
  14        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        3S          0.02094   0.00000   0.07056  -0.01646   0.00000
  16        3PX         0.00000  -0.00123   0.00000   0.00000  -0.05293
  17        3PY         0.12671   0.00000  -0.04690  -0.00336   0.00000
  18        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  19 3   C  1S         -0.00852   0.01475  -0.13981  -0.10011   0.17340
  20        2S          0.02781  -0.04817   0.10074   0.02676  -0.04634
  21        2PX        -0.02863  -0.01479  -0.13680   0.06316  -0.01713
  22        2PY         0.04786   0.02863  -0.07898  -0.05581  -0.06316
  23        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  24        3S         -0.28277   0.48978   0.49482  -0.49829   0.86307
  25        3PX         0.00851  -0.17930   0.00159   0.10833  -0.27446
  26        3PY         0.16947  -0.00851   0.00092   0.14937  -0.10833
  27        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  28 4   H  1S          0.00421  -0.00730   0.02836   0.05804  -0.10053
  29        2S         -0.04232   0.07331  -0.13610  -0.07319   0.12678
  30 5   C  1S          0.08944   0.15492  -0.11670   0.00025   0.00044
  31        2S         -0.12651  -0.21911   0.09849  -0.03336  -0.05777
  32        2PX        -0.13327  -0.23308  -0.20328   0.21147  -0.06982
  33        2PY         0.07919   0.13327   0.11736   0.31401  -0.21147
  34        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  35        3S         -0.12993  -0.22505  -0.32788  -0.26329  -0.45603
  36        3PX         0.16554   0.12408   0.07237   0.20701   0.05328
  37        3PY         0.06707  -0.16554  -0.04178   0.18575  -0.20701
  38        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  39 6   F  1S          0.09393   0.16269   0.01730  -0.00435  -0.00754
  40        2S         -0.18770  -0.32510  -0.02273   0.01272   0.02204
  41        2PX         0.09554   0.16497   0.03178   0.13312  -0.09155
  42        2PY        -0.05465  -0.09554  -0.01835   0.24527  -0.13312
  43        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  44        3S         -0.01047  -0.01814   0.07056   0.00823   0.01425
  45        3PX        -0.05433  -0.09534  -0.04061   0.02437  -0.01071
  46        3PY         0.03260   0.05433   0.02345   0.03886  -0.02437
  47        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  48 7   C  1S          0.01703   0.00000  -0.13981   0.20022   0.00000
  49        2S         -0.05562   0.00000   0.10074  -0.05351   0.00000
  50        2PX         0.00000  -0.06439   0.00000   0.00000   0.09227
  51        2PY        -0.00174   0.00000   0.15797   0.05360   0.00000
  52        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  53        3S          0.56554   0.00000   0.49482   0.99658   0.00000
  54        3PX         0.00000  -0.16455   0.00000   0.00000  -0.08683
  55        3PY         0.18421   0.00000  -0.00183   0.33701   0.00000
  56        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  57 8   H  1S         -0.00843   0.00000   0.02836  -0.11608   0.00000
  58        2S          0.08465   0.00000  -0.13610   0.14639   0.00000
  59 9   C  1S          0.08944  -0.15492  -0.11670   0.00025  -0.00044
  60        2S         -0.12651   0.21911   0.09849  -0.03336   0.05777
  61        2PX         0.13327  -0.23308   0.20328  -0.21147  -0.06982
  62        2PY         0.07919  -0.13327   0.11736   0.31401   0.21147
  63        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  64        3S         -0.12993   0.22505  -0.32788  -0.26329   0.45603
  65        3PX        -0.16554   0.12408  -0.07237  -0.20701   0.05328
  66        3PY         0.06707   0.16554  -0.04178   0.18575   0.20701
  67        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  68 10  F  1S          0.09393  -0.16269   0.01730  -0.00435   0.00754
  69        2S         -0.18770   0.32510  -0.02273   0.01272  -0.02204
  70        2PX        -0.09554   0.16497  -0.03178  -0.13312  -0.09155
  71        2PY        -0.05465   0.09554  -0.01835   0.24527   0.13312
  72        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  73        3S         -0.01047   0.01814   0.07056   0.00823  -0.01425
  74        3PX         0.05433  -0.09534   0.04061  -0.02437  -0.01071
  75        3PY         0.03260  -0.05433   0.02345   0.03886   0.02437
  76        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  77 11  C  1S         -0.00852  -0.01475  -0.13981  -0.10011  -0.17340
  78        2S          0.02781   0.04817   0.10074   0.02676   0.04634
  79        2PX         0.02863  -0.01479   0.13680  -0.06316  -0.01713
  80        2PY         0.04786  -0.02863  -0.07898  -0.05581   0.06316
  81        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  82        3S         -0.28277  -0.48978   0.49482  -0.49829  -0.86307
  83        3PX        -0.00851  -0.17930  -0.00159  -0.10833  -0.27446
  84        3PY         0.16947   0.00851   0.00092   0.14937   0.10833
  85        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  86 12  H  1S          0.00421   0.00730   0.02836   0.05804   0.10053
  87        2S         -0.04232  -0.07331  -0.13610  -0.07319  -0.12678
                          16        17        18        19        20
                       (A2')--O  (A2")--O   (E")--O   (E")--O  (A1')--O
     EIGENVALUES --    -1.35027  -1.25213  -1.12533  -1.12533  -0.96987
   1 1   C  1S          0.00000   0.00000   0.00000   0.00000  -0.04870
   2        2S          0.00000   0.00000   0.00000   0.00000   0.14695
   3        2PX         0.31042   0.00000   0.00000   0.00000   0.00000
   4        2PY         0.00000   0.00000   0.00000   0.00000   0.15485
   5        2PZ         0.00000   0.26471   0.00000   0.35648   0.00000
   6        3S          0.00000   0.00000   0.00000   0.00000   2.70721
   7        3PX         0.65621   0.00000   0.00000   0.00000   0.00000
   8        3PY         0.00000   0.00000   0.00000   0.00000  -0.71251
   9        3PZ         0.00000  -0.00115   0.00000  -0.02730   0.00000
  10 2   F  1S          0.00000   0.00000   0.00000   0.00000   0.06095
  11        2S          0.00000   0.00000   0.00000   0.00000  -0.13997
  12        2PX         0.26234   0.00000   0.00000   0.00000   0.00000
  13        2PY         0.00000   0.00000   0.00000   0.00000  -0.31128
  14        2PZ         0.00000   0.25170   0.00000   0.46150   0.00000
  15        3S          0.00000   0.00000   0.00000   0.00000  -0.43379
  16        3PX         0.03668   0.00000   0.00000   0.00000   0.00000
  17        3PY         0.00000   0.00000   0.00000   0.00000  -0.02463
  18        3PZ         0.00000   0.07901   0.00000   0.19202   0.00000
  19 3   C  1S          0.00000   0.00000   0.00000   0.00000  -0.04110
  20        2S          0.00000   0.00000   0.00000   0.00000   0.10067
  21        2PX        -0.08334   0.00000   0.00000   0.00000   0.07602
  22        2PY         0.14434   0.00000   0.00000   0.00000   0.04389
  23        2PZ         0.00000   0.12271   0.07556   0.04363   0.00000
  24        3S          0.00000   0.00000   0.00000   0.00000  -2.39479
  25        3PX         0.30983   0.00000   0.00000   0.00000   0.69381
  26        3PY        -0.53663   0.00000   0.00000   0.00000   0.40057
  27        3PZ         0.00000   0.01502   0.02544   0.01469   0.00000
  28 4   H  1S          0.00000   0.00000   0.00000   0.00000   0.06698
  29        2S          0.00000   0.00000   0.00000   0.00000  -0.23524
  30 5   C  1S          0.00000   0.00000   0.00000   0.00000  -0.04870
  31        2S          0.00000   0.00000   0.00000   0.00000   0.14695
  32        2PX        -0.15521   0.00000   0.00000   0.00000   0.13410
  33        2PY        -0.26883   0.00000   0.00000   0.00000  -0.07742
  34        2PZ         0.00000   0.26471   0.30872  -0.17824   0.00000
  35        3S          0.00000   0.00000   0.00000   0.00000   2.70721
  36        3PX        -0.32811   0.00000   0.00000   0.00000  -0.61705
  37        3PY        -0.56830   0.00000   0.00000   0.00000   0.35625
  38        3PZ         0.00000  -0.00115  -0.02365   0.01365   0.00000
  39 6   F  1S          0.00000   0.00000   0.00000   0.00000   0.06095
  40        2S          0.00000   0.00000   0.00000   0.00000  -0.13997
  41        2PX        -0.13117   0.00000   0.00000   0.00000  -0.26958
  42        2PY        -0.22719   0.00000   0.00000   0.00000   0.15564
  43        2PZ         0.00000   0.25170   0.39967  -0.23075   0.00000
  44        3S          0.00000   0.00000   0.00000   0.00000  -0.43379
  45        3PX        -0.01834   0.00000   0.00000   0.00000  -0.02133
  46        3PY        -0.03177   0.00000   0.00000   0.00000   0.01232
  47        3PZ         0.00000   0.07901   0.16629  -0.09601   0.00000
  48 7   C  1S          0.00000   0.00000   0.00000   0.00000  -0.04110
  49        2S          0.00000   0.00000   0.00000   0.00000   0.10067
  50        2PX         0.16667   0.00000   0.00000   0.00000   0.00000
  51        2PY         0.00000   0.00000   0.00000   0.00000  -0.08778
  52        2PZ         0.00000   0.12271   0.00000  -0.08725   0.00000
  53        3S          0.00000   0.00000   0.00000   0.00000  -2.39479
  54        3PX        -0.61965   0.00000   0.00000   0.00000   0.00000
  55        3PY         0.00000   0.00000   0.00000   0.00000  -0.80114
  56        3PZ         0.00000   0.01502   0.00000  -0.02938   0.00000
  57 8   H  1S          0.00000   0.00000   0.00000   0.00000   0.06698
  58        2S          0.00000   0.00000   0.00000   0.00000  -0.23524
  59 9   C  1S          0.00000   0.00000   0.00000   0.00000  -0.04870
  60        2S          0.00000   0.00000   0.00000   0.00000   0.14695
  61        2PX        -0.15521   0.00000   0.00000   0.00000  -0.13410
  62        2PY         0.26883   0.00000   0.00000   0.00000  -0.07742
  63        2PZ         0.00000   0.26471  -0.30872  -0.17824   0.00000
  64        3S          0.00000   0.00000   0.00000   0.00000   2.70721
  65        3PX        -0.32811   0.00000   0.00000   0.00000   0.61705
  66        3PY         0.56830   0.00000   0.00000   0.00000   0.35625
  67        3PZ         0.00000  -0.00115   0.02365   0.01365   0.00000
  68 10  F  1S          0.00000   0.00000   0.00000   0.00000   0.06095
  69        2S          0.00000   0.00000   0.00000   0.00000  -0.13997
  70        2PX        -0.13117   0.00000   0.00000   0.00000   0.26958
  71        2PY         0.22719   0.00000   0.00000   0.00000   0.15564
  72        2PZ         0.00000   0.25170  -0.39967  -0.23075   0.00000
  73        3S          0.00000   0.00000   0.00000   0.00000  -0.43379
  74        3PX        -0.01834   0.00000   0.00000   0.00000   0.02133
  75        3PY         0.03177   0.00000   0.00000   0.00000   0.01232
  76        3PZ         0.00000   0.07901  -0.16629  -0.09601   0.00000
  77 11  C  1S          0.00000   0.00000   0.00000   0.00000  -0.04110
  78        2S          0.00000   0.00000   0.00000   0.00000   0.10067
  79        2PX        -0.08334   0.00000   0.00000   0.00000  -0.07602
  80        2PY        -0.14434   0.00000   0.00000   0.00000   0.04389
  81        2PZ         0.00000   0.12271  -0.07556   0.04363   0.00000
  82        3S          0.00000   0.00000   0.00000   0.00000  -2.39479
  83        3PX         0.30983   0.00000   0.00000   0.00000  -0.69381
  84        3PY         0.53663   0.00000   0.00000   0.00000   0.40057
  85        3PZ         0.00000   0.01502  -0.02544   0.01469   0.00000
  86 12  H  1S          0.00000   0.00000   0.00000   0.00000   0.06698
  87        2S          0.00000   0.00000   0.00000   0.00000  -0.23524
                          21        22        23        24        25
                        (E')--O   (E')--O   (E')--O   (E')--O  (A1')--O
     EIGENVALUES --    -0.96230  -0.96230  -0.90456  -0.90456  -0.84207
   1 1   C  1S         -0.13869   0.00000   0.14256   0.00000  -0.05663
   2        2S          0.23480   0.00000  -0.09762   0.00000   0.07490
   3        2PX         0.00000  -0.02832   0.00000  -0.03721   0.00000
   4        2PY         0.12766   0.00000   0.48282   0.00000   0.09602
   5        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
   6        3S          0.65415   0.00000   0.46370   0.00000   1.24687
   7        3PX         0.00000   0.09443   0.00000  -0.22621   0.00000
   8        3PY        -0.31278   0.00000  -0.30973   0.00000  -0.34783
   9        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  10 2   F  1S          0.08604   0.00000  -0.02531   0.00000  -0.01592
  11        2S         -0.18807   0.00000   0.04990   0.00000   0.05938
  12        2PX         0.00000  -0.05579   0.00000  -0.16323   0.00000
  13        2PY        -0.44157   0.00000  -0.25984   0.00000  -0.18380
  14        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        3S         -0.53575   0.00000  -0.20895   0.00000  -0.09888
  16        3PX         0.00000  -0.02199   0.00000  -0.08345   0.00000
  17        3PY        -0.06249   0.00000   0.04779   0.00000   0.00716
  18        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  19 3   C  1S         -0.02350  -0.04071   0.06864  -0.11889   0.08527
  20        2S          0.05400   0.09353  -0.09270   0.16056  -0.09292
  21        2PX        -0.07541   0.03724   0.19331  -0.01212  -0.23512
  22        2PY         0.12433  -0.07541  -0.21109  -0.19331  -0.13575
  23        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  24        3S         -0.25341  -0.43893  -0.56120   0.97203  -0.94259
  25        3PX         0.10423   0.24512   0.04078  -0.23970   0.40606
  26        3PY         0.12477   0.10423   0.19261  -0.04078   0.23444
  27        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  28 4   H  1S          0.01517   0.02627  -0.03203   0.05548  -0.21635
  29        2S         -0.10445  -0.18091  -0.02539   0.04397  -0.42193
  30 5   C  1S          0.06935  -0.12011  -0.07128  -0.12346  -0.05663
  31        2S         -0.11740   0.20334   0.04881   0.08454   0.07490
  32        2PX        -0.06754   0.08866  -0.19295  -0.37142   0.08315
  33        2PY         0.01067  -0.06754   0.14861   0.19295  -0.04801
  34        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  35        3S         -0.32708   0.56651  -0.23185  -0.40158   1.24687
  36        3PX         0.17633  -0.21098   0.23207   0.17574  -0.30123
  37        3PY        -0.00737   0.17633   0.09223  -0.23207   0.17392
  38        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  39 6   F  1S         -0.04302   0.07452   0.01266   0.02192  -0.01592
  40        2S          0.09404  -0.16287  -0.02495  -0.04322   0.05938
  41        2PX         0.16705  -0.34512   0.18319   0.15407  -0.15917
  42        2PY        -0.15224   0.16705   0.05746  -0.18319   0.09190
  43        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  44        3S          0.26787  -0.46397   0.10447   0.18095  -0.09888
  45        3PX         0.01754  -0.05236   0.01544  -0.05671   0.00620
  46        3PY        -0.03211   0.01754   0.07454  -0.01544  -0.00358
  47        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  48 7   C  1S          0.04701   0.00000  -0.13728   0.00000   0.08527
  49        2S         -0.10800   0.00000   0.18540   0.00000  -0.09292
  50        2PX         0.00000   0.16787   0.00000   0.32270   0.00000
  51        2PY        -0.00630   0.00000   0.12373   0.00000   0.27150
  52        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  53        3S          0.50683   0.00000   1.12240   0.00000  -0.94259
  54        3PX         0.00000   0.06459   0.00000  -0.16907   0.00000
  55        3PY         0.30530   0.00000   0.26324   0.00000  -0.46888
  56        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  57 8   H  1S         -0.03034   0.00000   0.06406   0.00000  -0.21635
  58        2S          0.20889   0.00000   0.05077   0.00000  -0.42193
  59 9   C  1S          0.06935   0.12011  -0.07128   0.12346  -0.05663
  60        2S         -0.11740  -0.20334   0.04881  -0.08454   0.07490
  61        2PX         0.06754   0.08866   0.19295  -0.37142  -0.08315
  62        2PY         0.01067   0.06754   0.14861  -0.19295  -0.04801
  63        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  64        3S         -0.32708  -0.56651  -0.23185   0.40158   1.24687
  65        3PX        -0.17633  -0.21098  -0.23207   0.17574   0.30123
  66        3PY        -0.00737  -0.17633   0.09223   0.23207   0.17392
  67        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  68 10  F  1S         -0.04302  -0.07452   0.01266  -0.02192  -0.01592
  69        2S          0.09404   0.16287  -0.02495   0.04322   0.05938
  70        2PX        -0.16705  -0.34512  -0.18319   0.15407   0.15917
  71        2PY        -0.15224  -0.16705   0.05746   0.18319   0.09190
  72        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  73        3S          0.26787   0.46397   0.10447  -0.18095  -0.09888
  74        3PX        -0.01754  -0.05236  -0.01544  -0.05671  -0.00620
  75        3PY        -0.03211  -0.01754   0.07454   0.01544  -0.00358
  76        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  77 11  C  1S         -0.02350   0.04071   0.06864   0.11889   0.08527
  78        2S          0.05400  -0.09353  -0.09270  -0.16056  -0.09292
  79        2PX         0.07541   0.03724  -0.19331  -0.01212   0.23512
  80        2PY         0.12433   0.07541  -0.21109   0.19331  -0.13575
  81        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  82        3S         -0.25341   0.43893  -0.56120  -0.97203  -0.94259
  83        3PX        -0.10423   0.24512  -0.04078  -0.23970  -0.40606
  84        3PY         0.12477  -0.10423   0.19261   0.04078   0.23444
  85        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  86 12  H  1S          0.01517  -0.02627  -0.03203  -0.05548  -0.21635
  87        2S         -0.10445   0.18091  -0.02539  -0.04397  -0.42193
                          26        27        28        29        30
                        (E')--O   (E')--O  (A2")--O   (E')--O   (E')--O
     EIGENVALUES --    -0.67543  -0.67543  -0.55228  -0.35911  -0.35911
   1 1   C  1S         -0.08443   0.00000   0.00000   0.03882   0.00000
   2        2S          0.12286   0.00000   0.00000  -0.00686   0.00000
   3        2PX         0.00000   0.20181   0.00000   0.00000  -0.42570
   4        2PY        -0.10186   0.00000   0.00000   0.11575   0.00000
   5        2PZ         0.00000   0.00000  -0.09676   0.00000   0.00000
   6        3S          1.06421   0.00000   0.00000   0.67902   0.00000
   7        3PX         0.00000  -0.12709   0.00000   0.00000  -0.15889
   8        3PY        -0.17958   0.00000   0.00000  -0.21044   0.00000
   9        3PZ         0.00000   0.00000  -0.16583   0.00000   0.00000
  10 2   F  1S         -0.00635   0.00000   0.00000  -0.02296   0.00000
  11        2S          0.02897   0.00000   0.00000   0.06377   0.00000
  12        2PX         0.00000   0.25172   0.00000   0.00000   0.41339
  13        2PY        -0.04127   0.00000   0.00000  -0.07283   0.00000
  14        2PZ         0.00000   0.00000   0.32163   0.00000   0.00000
  15        3S         -0.00028   0.00000   0.00000   0.00534   0.00000
  16        3PX         0.00000   0.12198   0.00000   0.00000   0.44579
  17        3PY        -0.01625   0.00000   0.00000   0.01254   0.00000
  18        3PZ         0.00000   0.00000   0.28426   0.00000   0.00000
  19 3   C  1S          0.01398   0.02421   0.00000  -0.06402   0.11088
  20        2S         -0.05611  -0.09719   0.00000   0.10108  -0.17507
  21        2PX        -0.22084  -0.32694   0.00000   0.07140   0.29658
  22        2PY        -0.07193  -0.22084   0.00000  -0.37903  -0.07140
  23        2PZ         0.00000   0.00000  -0.27486   0.00000   0.00000
  24        3S         -0.08335  -0.14437   0.00000  -0.02764   0.04788
  25        3PX         0.36115   0.38120   0.00000   0.27888  -0.39344
  26        3PY        -0.03582   0.36115   0.00000   0.07141  -0.27888
  27        3PZ         0.00000   0.00000   0.01706   0.00000   0.00000
  28 4   H  1S         -0.16266  -0.28173   0.00000  -0.02230   0.03863
  29        2S         -0.38132  -0.66047   0.00000  -0.39992   0.69267
  30 5   C  1S          0.04222  -0.07312   0.00000  -0.01941  -0.03362
  31        2S         -0.06143   0.10640   0.00000   0.00343   0.00594
  32        2PX         0.13149  -0.02594   0.00000   0.13421  -0.19324
  33        2PY         0.12590   0.13149   0.00000   0.34821  -0.13421
  34        2PZ         0.00000   0.00000  -0.09676   0.00000   0.00000
  35        3S         -0.53210   0.92163   0.00000  -0.33951  -0.58805
  36        3PX         0.02273  -0.16646   0.00000   0.15993   0.11811
  37        3PY        -0.14021   0.02273   0.00000   0.06656  -0.15993
  38        3PZ         0.00000   0.00000  -0.16583   0.00000   0.00000
  39 6   F  1S          0.00317  -0.00550   0.00000   0.01148   0.01988
  40        2S         -0.01448   0.02509   0.00000  -0.03189  -0.05523
  41        2PX         0.12687   0.03198   0.00000  -0.14747   0.15797
  42        2PY         0.17847   0.12687   0.00000  -0.32825   0.14747
  43        2PZ         0.00000   0.00000   0.32163   0.00000   0.00000
  44        3S          0.00014  -0.00025   0.00000  -0.00267  -0.00462
  45        3PX         0.05986   0.01830   0.00000  -0.19846   0.10204
  46        3PY         0.08742   0.05986   0.00000  -0.33121   0.19846
  47        3PZ         0.00000   0.00000   0.28426   0.00000   0.00000
  48 7   C  1S         -0.02796   0.00000   0.00000   0.12803   0.00000
  49        2S          0.11223   0.00000   0.00000  -0.20216   0.00000
  50        2PX         0.00000   0.05557   0.00000   0.00000   0.42025
  51        2PY        -0.45444   0.00000   0.00000  -0.25536   0.00000
  52        2PZ         0.00000   0.00000  -0.27486   0.00000   0.00000
  53        3S          0.16671   0.00000   0.00000   0.05529   0.00000
  54        3PX         0.00000  -0.24434   0.00000   0.00000   0.08960
  55        3PY         0.58971   0.00000   0.00000   0.55445   0.00000
  56        3PZ         0.00000   0.00000   0.01706   0.00000   0.00000
  57 8   H  1S          0.32531   0.00000   0.00000   0.04461   0.00000
  58        2S          0.76264   0.00000   0.00000   0.79983   0.00000
  59 9   C  1S          0.04222   0.07312   0.00000  -0.01941   0.03362
  60        2S         -0.06143  -0.10640   0.00000   0.00343  -0.00594
  61        2PX        -0.13149  -0.02594   0.00000  -0.13421  -0.19324
  62        2PY         0.12590  -0.13149   0.00000   0.34821   0.13421
  63        2PZ         0.00000   0.00000  -0.09676   0.00000   0.00000
  64        3S         -0.53210  -0.92163   0.00000  -0.33951   0.58805
  65        3PX        -0.02273  -0.16646   0.00000  -0.15993   0.11811
  66        3PY        -0.14021  -0.02273   0.00000   0.06656   0.15993
  67        3PZ         0.00000   0.00000  -0.16583   0.00000   0.00000
  68 10  F  1S          0.00317   0.00550   0.00000   0.01148  -0.01988
  69        2S         -0.01448  -0.02509   0.00000  -0.03189   0.05523
  70        2PX        -0.12687   0.03198   0.00000   0.14747   0.15797
  71        2PY         0.17847  -0.12687   0.00000  -0.32825  -0.14747
  72        2PZ         0.00000   0.00000   0.32163   0.00000   0.00000
  73        3S          0.00014   0.00025   0.00000  -0.00267   0.00462
  74        3PX        -0.05986   0.01830   0.00000   0.19846   0.10204
  75        3PY         0.08742  -0.05986   0.00000  -0.33121  -0.19846
  76        3PZ         0.00000   0.00000   0.28426   0.00000   0.00000
  77 11  C  1S          0.01398  -0.02421   0.00000  -0.06402  -0.11088
  78        2S         -0.05611   0.09719   0.00000   0.10108   0.17507
  79        2PX         0.22084  -0.32694   0.00000  -0.07140   0.29658
  80        2PY        -0.07193   0.22084   0.00000  -0.37903   0.07140
  81        2PZ         0.00000   0.00000  -0.27486   0.00000   0.00000
  82        3S         -0.08335   0.14437   0.00000  -0.02764  -0.04788
  83        3PX        -0.36115   0.38120   0.00000  -0.27888  -0.39344
  84        3PY        -0.03582  -0.36115   0.00000   0.07141   0.27888
  85        3PZ         0.00000   0.00000   0.01706   0.00000   0.00000
  86 12  H  1S         -0.16266   0.28173   0.00000  -0.02230  -0.03863
  87        2S         -0.38132   0.66047   0.00000  -0.39992  -0.69267
                          31        32        33        34        35
                       (A2')--O   (E")--O   (E")--O  (A1')--V   (E')--V
     EIGENVALUES --    -0.32779  -0.32243  -0.32243   0.31890   0.32698
   1 1   C  1S          0.00000   0.00000   0.00000   0.02138   0.01471
   2        2S          0.00000   0.00000   0.00000   0.08542   0.06357
   3        2PX         0.29802   0.00000   0.00000   0.00000   0.00000
   4        2PY         0.00000   0.00000   0.00000  -0.04397  -0.03889
   5        2PZ         0.00000   0.00000  -0.18128   0.00000   0.00000
   6        3S          0.00000   0.00000   0.00000  19.03008   7.18769
   7        3PX         0.54640   0.00000   0.00000   0.00000   0.00000
   8        3PY         0.00000   0.00000   0.00000  -5.76498  -2.43513
   9        3PZ         0.00000   0.00000   0.00840   0.00000   0.00000
  10 2   F  1S          0.00000   0.00000   0.00000  -0.01833  -0.01104
  11        2S          0.00000   0.00000   0.00000   0.01806   0.00228
  12        2PX        -0.34503   0.00000   0.00000   0.00000   0.00000
  13        2PY         0.00000   0.00000   0.00000   0.08282   0.07470
  14        2PZ         0.00000   0.00000   0.27948   0.00000   0.00000
  15        3S          0.00000   0.00000   0.00000   0.18828   0.22033
  16        3PX        -0.36264   0.00000   0.00000   0.00000   0.00000
  17        3PY         0.00000   0.00000   0.00000   0.37901   0.22470
  18        3PZ         0.00000   0.00000   0.26141   0.00000   0.00000
  19 3   C  1S          0.00000   0.00000   0.00000  -0.03563  -0.00599
  20        2S          0.00000   0.00000   0.00000   0.08088   0.03889
  21        2PX        -0.18134   0.00000   0.00000   0.06855   0.04163
  22        2PY         0.31409   0.00000   0.00000   0.03957   0.11823
  23        2PZ         0.00000   0.47819  -0.27608   0.00000   0.00000
  24        3S          0.00000   0.00000   0.00000 -14.04422   1.70739
  25        3PX         0.23052   0.00000   0.00000   6.59728   3.70905
  26        3PY        -0.39927   0.00000   0.00000   3.80894   0.92020
  27        3PZ         0.00000   0.37730  -0.21783   0.00000   0.00000
  28 4   H  1S          0.00000   0.00000   0.00000   0.04729   0.02186
  29        2S          0.00000   0.00000   0.00000  -5.61905  -4.63386
  30 5   C  1S          0.00000   0.00000   0.00000   0.02138  -0.00735
  31        2S          0.00000   0.00000   0.00000   0.08542  -0.03178
  32        2PX        -0.14901   0.00000   0.00000  -0.03808   0.01010
  33        2PY        -0.25810   0.00000   0.00000   0.02199  -0.02140
  34        2PZ         0.00000   0.15699   0.09064   0.00000   0.00000
  35        3S          0.00000   0.00000   0.00000  19.03008  -3.59384
  36        3PX        -0.27320   0.00000   0.00000  -4.99262   0.12324
  37        3PY        -0.47320   0.00000   0.00000   2.88249  -2.22168
  38        3PZ         0.00000  -0.00728  -0.00420   0.00000   0.00000
  39 6   F  1S          0.00000   0.00000   0.00000  -0.01833   0.00552
  40        2S          0.00000   0.00000   0.00000   0.01806  -0.00114
  41        2PX         0.17251   0.00000   0.00000   0.07173  -0.00461
  42        2PY         0.29880   0.00000   0.00000  -0.04141   0.06671
  43        2PZ         0.00000  -0.24204  -0.13974   0.00000   0.00000
  44        3S          0.00000   0.00000   0.00000   0.18828  -0.11016
  45        3PX         0.18132   0.00000   0.00000   0.32823  -0.02147
  46        3PY         0.31405   0.00000   0.00000  -0.18951   0.18751
  47        3PZ         0.00000  -0.22639  -0.13071   0.00000   0.00000
  48 7   C  1S          0.00000   0.00000   0.00000  -0.03563   0.01199
  49        2S          0.00000   0.00000   0.00000   0.08088  -0.07779
  50        2PX         0.36268   0.00000   0.00000   0.00000   0.00000
  51        2PY         0.00000   0.00000   0.00000  -0.07915   0.19033
  52        2PZ         0.00000   0.00000   0.55217   0.00000   0.00000
  53        3S          0.00000   0.00000   0.00000 -14.04422  -3.41478
  54        3PX        -0.46104   0.00000   0.00000   0.00000   0.00000
  55        3PY         0.00000   0.00000   0.00000  -7.61788   7.34446
  56        3PZ         0.00000   0.00000   0.43567   0.00000   0.00000
  57 8   H  1S          0.00000   0.00000   0.00000   0.04729  -0.04372
  58        2S          0.00000   0.00000   0.00000  -5.61905   9.26772
  59 9   C  1S          0.00000   0.00000   0.00000   0.02138  -0.00735
  60        2S          0.00000   0.00000   0.00000   0.08542  -0.03178
  61        2PX        -0.14901   0.00000   0.00000   0.03808  -0.01010
  62        2PY         0.25810   0.00000   0.00000   0.02199  -0.02140
  63        2PZ         0.00000  -0.15699   0.09064   0.00000   0.00000
  64        3S          0.00000   0.00000   0.00000  19.03008  -3.59384
  65        3PX        -0.27320   0.00000   0.00000   4.99262  -0.12324
  66        3PY         0.47320   0.00000   0.00000   2.88249  -2.22168
  67        3PZ         0.00000   0.00728  -0.00420   0.00000   0.00000
  68 10  F  1S          0.00000   0.00000   0.00000  -0.01833   0.00552
  69        2S          0.00000   0.00000   0.00000   0.01806  -0.00114
  70        2PX         0.17251   0.00000   0.00000  -0.07173   0.00461
  71        2PY        -0.29880   0.00000   0.00000  -0.04141   0.06671
  72        2PZ         0.00000   0.24204  -0.13974   0.00000   0.00000
  73        3S          0.00000   0.00000   0.00000   0.18828  -0.11016
  74        3PX         0.18132   0.00000   0.00000  -0.32823   0.02147
  75        3PY        -0.31405   0.00000   0.00000  -0.18951   0.18751
  76        3PZ         0.00000   0.22639  -0.13071   0.00000   0.00000
  77 11  C  1S          0.00000   0.00000   0.00000  -0.03563  -0.00599
  78        2S          0.00000   0.00000   0.00000   0.08088   0.03889
  79        2PX        -0.18134   0.00000   0.00000  -0.06855  -0.04163
  80        2PY        -0.31409   0.00000   0.00000   0.03957   0.11823
  81        2PZ         0.00000  -0.47819  -0.27608   0.00000   0.00000
  82        3S          0.00000   0.00000   0.00000 -14.04422   1.70739
  83        3PX         0.23052   0.00000   0.00000  -6.59728  -3.70905
  84        3PY         0.39927   0.00000   0.00000   3.80894   0.92020
  85        3PZ         0.00000  -0.37730  -0.21783   0.00000   0.00000
  86 12  H  1S          0.00000   0.00000   0.00000   0.04729   0.02186
  87        2S          0.00000   0.00000   0.00000  -5.61905  -4.63386
                          36        37        38        39        40
                        (E')--V  (A1')--V   (E')--V   (E')--V  (A2")--V
     EIGENVALUES --     0.32698   0.45795   0.47224   0.47224   0.50504
   1 1   C  1S          0.00000   0.03647  -0.03238   0.00000   0.00000
   2        2S          0.00000  -0.12697  -0.02873   0.00000   0.00000
   3        2PX         0.01557   0.00000   0.00000   0.03636   0.00000
   4        2PY         0.00000   0.16505  -0.08834   0.00000   0.00000
   5        2PZ         0.00000   0.00000   0.00000   0.00000  -0.36080
   6        3S          0.00000  10.21375   5.85227   0.00000   0.00000
   7        3PX         2.15053   0.00000   0.00000  -4.25083   0.00000
   8        3PY         0.00000  -1.56308  -5.02095   0.00000   0.00000
   9        3PZ         0.00000   0.00000   0.00000   0.00000   0.36607
  10 2   F  1S          0.00000   0.03381  -0.06364   0.00000   0.00000
  11        2S          0.00000  -0.00080   0.06555   0.00000   0.00000
  12        2PX        -0.06405   0.00000   0.00000   0.06848   0.00000
  13        2PY         0.00000   0.02871   0.08856   0.00000   0.00000
  14        2PZ         0.00000   0.00000   0.00000   0.00000  -0.00615
  15        3S          0.00000  -1.29478   1.50293   0.00000   0.00000
  16        3PX        -0.17511   0.00000   0.00000   0.26340   0.00000
  17        3PY         0.00000   0.23639   0.38415   0.00000   0.00000
  18        3PZ         0.00000   0.00000   0.00000   0.00000   0.03580
  19 3   C  1S          0.01038   0.00166   0.00460  -0.00797   0.00000
  20        2S         -0.06737  -0.28634   0.06165  -0.10678   0.00000
  21        2PX        -0.16630   0.09836  -0.03287   0.05230   0.00000
  22        2PY        -0.04163   0.05679  -0.01435   0.03287   0.00000
  23        2PZ         0.00000   0.00000   0.00000   0.00000  -0.24608
  24        3S         -2.95729  -6.70744  -7.22170  12.50835   0.00000
  25        3PX        -5.20304   2.31610   0.70901  -3.04788   0.00000
  26        3PY        -3.70905   1.33720   2.22919  -0.70901   0.00000
  27        3PZ         0.00000   0.00000   0.00000   0.00000   0.17221
  28 4   H  1S         -0.03787  -0.12234   0.00634  -0.01099   0.00000
  29        2S          8.02608  -2.31339  -0.25832   0.44743   0.00000
  30 5   C  1S         -0.01274   0.03647   0.01619   0.02804   0.00000
  31        2S         -0.05505  -0.12697   0.01437   0.02488   0.00000
  32        2PX         0.03306   0.14294   0.02251   0.07534   0.00000
  33        2PY        -0.01010  -0.08252  -0.04935  -0.02251   0.00000
  34        2PZ         0.00000   0.00000   0.00000   0.00000  -0.36080
  35        3S         -6.22472  10.21375  -2.92614  -5.06822   0.00000
  36        3PX         2.36398  -1.35367   4.01480   2.70301   0.00000
  37        3PY        -0.12324   0.78154   1.93288  -4.01480   0.00000
  38        3PZ         0.00000   0.00000   0.00000   0.00000   0.36607
  39 6   F  1S          0.00956   0.03381   0.03182   0.05511   0.00000
  40        2S         -0.00197  -0.00080  -0.03278  -0.05677   0.00000
  41        2PX        -0.07204   0.02487  -0.06800  -0.04930   0.00000
  42        2PY         0.00461  -0.01436  -0.02922   0.06800   0.00000
  43        2PZ         0.00000   0.00000   0.00000   0.00000  -0.00615
  44        3S         -0.19081  -1.29478  -0.75146  -1.30158   0.00000
  45        3PX        -0.21230   0.20472  -0.28040  -0.22226   0.00000
  46        3PY         0.02147  -0.11819  -0.10151   0.28040   0.00000
  47        3PZ         0.00000   0.00000   0.00000   0.00000   0.03580
  48 7   C  1S          0.00000   0.00166  -0.00920   0.00000   0.00000
  49        2S          0.00000  -0.28634  -0.12330   0.00000   0.00000
  50        2PX        -0.09419   0.00000   0.00000  -0.00462   0.00000
  51        2PY         0.00000  -0.11358  -0.07128   0.00000   0.00000
  52        2PZ         0.00000   0.00000   0.00000   0.00000  -0.24608
  53        3S          0.00000  -6.70744  14.44340   0.00000   0.00000
  54        3PX         1.22122   0.00000   0.00000  -1.81984   0.00000
  55        3PY         0.00000  -2.67440   3.45723   0.00000   0.00000
  56        3PZ         0.00000   0.00000   0.00000   0.00000   0.17221
  57 8   H  1S          0.00000  -0.12234  -0.01269   0.00000   0.00000
  58        2S          0.00000  -2.31339   0.51664   0.00000   0.00000
  59 9   C  1S          0.01274   0.03647   0.01619  -0.02804   0.00000
  60        2S          0.05505  -0.12697   0.01437  -0.02488   0.00000
  61        2PX         0.03306  -0.14294  -0.02251   0.07534   0.00000
  62        2PY         0.01010  -0.08252  -0.04935   0.02251   0.00000
  63        2PZ         0.00000   0.00000   0.00000   0.00000  -0.36080
  64        3S          6.22472  10.21375  -2.92614   5.06822   0.00000
  65        3PX         2.36398   1.35367  -4.01480   2.70301   0.00000
  66        3PY         0.12324   0.78154   1.93288   4.01480   0.00000
  67        3PZ         0.00000   0.00000   0.00000   0.00000   0.36607
  68 10  F  1S         -0.00956   0.03381   0.03182  -0.05511   0.00000
  69        2S          0.00197  -0.00080  -0.03278   0.05677   0.00000
  70        2PX        -0.07204  -0.02487   0.06800  -0.04930   0.00000
  71        2PY        -0.00461  -0.01436  -0.02922  -0.06800   0.00000
  72        2PZ         0.00000   0.00000   0.00000   0.00000  -0.00615
  73        3S          0.19081  -1.29478  -0.75146   1.30158   0.00000
  74        3PX        -0.21230  -0.20472   0.28040  -0.22226   0.00000
  75        3PY        -0.02147  -0.11819  -0.10151  -0.28040   0.00000
  76        3PZ         0.00000   0.00000   0.00000   0.00000   0.03580
  77 11  C  1S         -0.01038   0.00166   0.00460   0.00797   0.00000
  78        2S          0.06737  -0.28634   0.06165   0.10678   0.00000
  79        2PX        -0.16630  -0.09836   0.03287   0.05230   0.00000
  80        2PY         0.04163   0.05679  -0.01435  -0.03287   0.00000
  81        2PZ         0.00000   0.00000   0.00000   0.00000  -0.24608
  82        3S          2.95729  -6.70744  -7.22170 -12.50835   0.00000
  83        3PX        -5.20304  -2.31610  -0.70901  -3.04788   0.00000
  84        3PY         3.70905   1.33720   2.22919   0.70901   0.00000
  85        3PZ         0.00000   0.00000   0.00000   0.00000   0.17221
  86 12  H  1S          0.03787  -0.12234   0.00634   0.01099   0.00000
  87        2S         -8.02608  -2.31339  -0.25832  -0.44743   0.00000
                          41        42        43        44        45
                        (E")--V   (E")--V  (A1')--V   (E")--V   (E")--V
     EIGENVALUES --     0.54899   0.54899   0.60744   0.61294   0.61294
   1 1   C  1S          0.00000   0.00000   0.02319   0.00000   0.00000
   2        2S          0.00000   0.00000  -0.13420   0.00000   0.00000
   3        2PX         0.00000   0.00000   0.00000   0.00000   0.00000
   4        2PY         0.00000   0.00000   0.06171   0.00000   0.00000
   5        2PZ         0.00000   0.60958   0.00000   0.00000  -0.36419
   6        3S          0.00000   0.00000  49.12013   0.00000   0.00000
   7        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
   8        3PY         0.00000   0.00000 -13.70398   0.00000   0.00000
   9        3PZ         0.00000   1.62248   0.00000   0.00000   2.13452
  10 2   F  1S          0.00000   0.00000  -0.01804   0.00000   0.00000
  11        2S          0.00000   0.00000   0.06739   0.00000   0.00000
  12        2PX         0.00000   0.00000   0.00000   0.00000   0.00000
  13        2PY         0.00000   0.00000   0.05803   0.00000   0.00000
  14        2PZ         0.00000  -0.24150   0.00000   0.00000  -0.13220
  15        3S          0.00000   0.00000  -0.21327   0.00000   0.00000
  16        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  17        3PY         0.00000   0.00000   0.64629   0.00000   0.00000
  18        3PZ         0.00000  -0.61025   0.00000   0.00000  -0.36213
  19 3   C  1S          0.00000   0.00000   0.05030   0.00000   0.00000
  20        2S          0.00000   0.00000  -0.11005   0.00000   0.00000
  21        2PX         0.00000   0.00000  -0.01039   0.00000   0.00000
  22        2PY         0.00000   0.00000  -0.00600   0.00000   0.00000
  23        2PZ        -0.09878   0.05703   0.00000  -0.23904  -0.13801
  24        3S          0.00000   0.00000 -45.25457   0.00000   0.00000
  25        3PX         0.00000   0.00000  12.89326   0.00000   0.00000
  26        3PY         0.00000   0.00000   7.44393   0.00000   0.00000
  27        3PZ         1.53721  -0.88751   0.00000  -0.43917  -0.25356
  28 4   H  1S          0.00000   0.00000  -0.08866   0.00000   0.00000
  29        2S          0.00000   0.00000  -3.60100   0.00000   0.00000
  30 5   C  1S          0.00000   0.00000   0.02319   0.00000   0.00000
  31        2S          0.00000   0.00000  -0.13420   0.00000   0.00000
  32        2PX         0.00000   0.00000   0.05344   0.00000   0.00000
  33        2PY         0.00000   0.00000  -0.03085   0.00000   0.00000
  34        2PZ        -0.52791  -0.30479   0.00000  -0.31540   0.18210
  35        3S          0.00000   0.00000  49.12013   0.00000   0.00000
  36        3PX         0.00000   0.00000 -11.86800   0.00000   0.00000
  37        3PY         0.00000   0.00000   6.85199   0.00000   0.00000
  38        3PZ        -1.40511  -0.81124   0.00000   1.84855  -1.06726
  39 6   F  1S          0.00000   0.00000  -0.01804   0.00000   0.00000
  40        2S          0.00000   0.00000   0.06739   0.00000   0.00000
  41        2PX         0.00000   0.00000   0.05026   0.00000   0.00000
  42        2PY         0.00000   0.00000  -0.02902   0.00000   0.00000
  43        2PZ         0.20915   0.12075   0.00000  -0.11449   0.06610
  44        3S          0.00000   0.00000  -0.21327   0.00000   0.00000
  45        3PX         0.00000   0.00000   0.55970   0.00000   0.00000
  46        3PY         0.00000   0.00000  -0.32314   0.00000   0.00000
  47        3PZ         0.52849   0.30512   0.00000  -0.31361   0.18106
  48 7   C  1S          0.00000   0.00000   0.05030   0.00000   0.00000
  49        2S          0.00000   0.00000  -0.11005   0.00000   0.00000
  50        2PX         0.00000   0.00000   0.00000   0.00000   0.00000
  51        2PY         0.00000   0.00000   0.01200   0.00000   0.00000
  52        2PZ         0.00000  -0.11406   0.00000   0.00000   0.27602
  53        3S          0.00000   0.00000 -45.25457   0.00000   0.00000
  54        3PX         0.00000   0.00000   0.00000   0.00000   0.00000
  55        3PY         0.00000   0.00000 -14.88786   0.00000   0.00000
  56        3PZ         0.00000   1.77502   0.00000   0.00000   0.50711
  57 8   H  1S          0.00000   0.00000  -0.08866   0.00000   0.00000
  58        2S          0.00000   0.00000  -3.60100   0.00000   0.00000
  59 9   C  1S          0.00000   0.00000   0.02319   0.00000   0.00000
  60        2S          0.00000   0.00000  -0.13420   0.00000   0.00000
  61        2PX         0.00000   0.00000  -0.05344   0.00000   0.00000
  62        2PY         0.00000   0.00000  -0.03085   0.00000   0.00000
  63        2PZ         0.52791  -0.30479   0.00000   0.31540   0.18210
  64        3S          0.00000   0.00000  49.12013   0.00000   0.00000
  65        3PX         0.00000   0.00000  11.86800   0.00000   0.00000
  66        3PY         0.00000   0.00000   6.85199   0.00000   0.00000
  67        3PZ         1.40511  -0.81124   0.00000  -1.84855  -1.06726
  68 10  F  1S          0.00000   0.00000  -0.01804   0.00000   0.00000
  69        2S          0.00000   0.00000   0.06739   0.00000   0.00000
  70        2PX         0.00000   0.00000  -0.05026   0.00000   0.00000
  71        2PY         0.00000   0.00000  -0.02902   0.00000   0.00000
  72        2PZ        -0.20915   0.12075   0.00000   0.11449   0.06610
  73        3S          0.00000   0.00000  -0.21327   0.00000   0.00000
  74        3PX         0.00000   0.00000  -0.55970   0.00000   0.00000
  75        3PY         0.00000   0.00000  -0.32314   0.00000   0.00000
  76        3PZ        -0.52849   0.30512   0.00000   0.31361   0.18106
  77 11  C  1S          0.00000   0.00000   0.05030   0.00000   0.00000
  78        2S          0.00000   0.00000  -0.11005   0.00000   0.00000
  79        2PX         0.00000   0.00000   0.01039   0.00000   0.00000
  80        2PY         0.00000   0.00000  -0.00600   0.00000   0.00000
  81        2PZ         0.09878   0.05703   0.00000   0.23904  -0.13801
  82        3S          0.00000   0.00000 -45.25457   0.00000   0.00000
  83        3PX         0.00000   0.00000 -12.89326   0.00000   0.00000
  84        3PY         0.00000   0.00000   7.44393   0.00000   0.00000
  85        3PZ        -1.53721  -0.88751   0.00000   0.43917  -0.25356
  86 12  H  1S          0.00000   0.00000  -0.08866   0.00000   0.00000
  87        2S          0.00000   0.00000  -3.60100   0.00000   0.00000
                          46        47        48        49        50
                       (A2')--V   (E')--V   (E')--V  (A2")--V   (E')--V
     EIGENVALUES --     0.64766   0.66545   0.66545   0.70011   0.85021
   1 1   C  1S          0.00000   0.00549   0.00000   0.00000   0.03850
   2        2S          0.00000  -0.11261   0.00000   0.00000  -0.25640
   3        2PX        -0.11595   0.00000  -0.17281   0.00000   0.00000
   4        2PY         0.00000   0.08855   0.00000   0.00000   0.08667
   5        2PZ         0.00000   0.00000   0.00000   0.13529   0.00000
   6        3S          0.00000  21.60260   0.00000   0.00000 -17.70620
   7        3PX        10.65352   0.00000   3.58947   0.00000   0.00000
   8        3PY         0.00000  -2.22883   0.00000   0.00000  -3.48315
   9        3PZ         0.00000   0.00000   0.00000   4.30010   0.00000
  10 2   F  1S          0.00000   0.02408   0.00000   0.00000   0.00659
  11        2S          0.00000   0.06572   0.00000   0.00000  -0.04160
  12        2PX        -0.15806   0.00000  -0.06731   0.00000   0.00000
  13        2PY         0.00000  -0.00653   0.00000   0.00000   0.03996
  14        2PZ         0.00000   0.00000   0.00000  -0.02530   0.00000
  15        3S          0.00000  -1.57726   0.00000   0.00000   0.50043
  16        3PX        -0.68424   0.00000  -0.57377   0.00000   0.00000
  17        3PY         0.00000   0.24244   0.00000   0.00000   0.45091
  18        3PZ         0.00000   0.00000   0.00000  -0.54807   0.00000
  19 3   C  1S          0.00000   0.00439   0.00761   0.00000  -0.00201
  20        2S          0.00000  -0.10265  -0.17780   0.00000  -0.08567
  21        2PX        -0.00218   0.07484  -0.02269   0.00000   0.01617
  22        2PY         0.00378  -0.10910   0.07484   0.00000  -0.11313
  23        2PZ         0.00000   0.00000   0.00000  -0.05278   0.00000
  24        3S          0.00000  -6.90947 -11.96755   0.00000 -14.95892
  25        3PX         3.82939   4.34699   2.58655   0.00000  -5.03629
  26        3PY        -6.63270  -2.43292   4.34699   0.00000  13.91672
  27        3PZ         0.00000   0.00000   0.00000  -4.08963   0.00000
  28 4   H  1S          0.00000  -0.04687  -0.08118   0.00000  -0.08074
  29        2S          0.00000  -2.33068  -4.03685   0.00000  -2.13214
  30 5   C  1S          0.00000  -0.00275   0.00476   0.00000  -0.01925
  31        2S          0.00000   0.05630  -0.09752   0.00000   0.12820
  32        2PX         0.05797  -0.11317   0.02321   0.00000  -0.01275
  33        2PY         0.10041  -0.10747  -0.11317   0.00000   0.06458
  34        2PZ         0.00000   0.00000   0.00000   0.13529   0.00000
  35        3S          0.00000 -10.80130  18.70840   0.00000   8.85310
  36        3PX        -5.32676   2.51940  -0.77426   0.00000   9.26549
  37        3PY        -9.22622   2.13489   2.51940   0.00000  12.56516
  38        3PZ         0.00000   0.00000   0.00000   4.30010   0.00000
  39 6   F  1S          0.00000  -0.01204   0.02085   0.00000  -0.00330
  40        2S          0.00000  -0.03286   0.05691   0.00000   0.02080
  41        2PX         0.07903  -0.02632  -0.02173   0.00000  -0.02651
  42        2PY         0.13688  -0.05211  -0.02632   0.00000  -0.00596
  43        2PZ         0.00000   0.00000   0.00000  -0.02530   0.00000
  44        3S          0.00000   0.78863  -1.36595   0.00000  -0.25022
  45        3PX         0.34212  -0.35343   0.03839   0.00000  -0.52144
  46        3PY         0.59257  -0.36972  -0.35343   0.00000  -0.45225
  47        3PZ         0.00000   0.00000   0.00000  -0.54807   0.00000
  48 7   C  1S          0.00000  -0.00879   0.00000   0.00000   0.00401
  49        2S          0.00000   0.20530   0.00000   0.00000   0.17135
  50        2PX         0.00436   0.00000  -0.15231   0.00000   0.00000
  51        2PY         0.00000   0.02052   0.00000   0.00000  -0.08513
  52        2PZ         0.00000   0.00000   0.00000  -0.05278   0.00000
  53        3S          0.00000  13.81893   0.00000   0.00000  29.91783
  54        3PX        -7.65878   0.00000  -4.94266   0.00000   0.00000
  55        3PY         0.00000   5.09628   0.00000   0.00000   5.19360
  56        3PZ         0.00000   0.00000   0.00000  -4.08963   0.00000
  57 8   H  1S          0.00000   0.09374   0.00000   0.00000   0.16148
  58        2S          0.00000   4.66135   0.00000   0.00000   4.26429
  59 9   C  1S          0.00000  -0.00275  -0.00476   0.00000  -0.01925
  60        2S          0.00000   0.05630   0.09752   0.00000   0.12820
  61        2PX         0.05797   0.11317   0.02321   0.00000   0.01275
  62        2PY        -0.10041  -0.10747   0.11317   0.00000   0.06458
  63        2PZ         0.00000   0.00000   0.00000   0.13529   0.00000
  64        3S          0.00000 -10.80130 -18.70840   0.00000   8.85310
  65        3PX        -5.32676  -2.51940  -0.77426   0.00000  -9.26549
  66        3PY         9.22622   2.13489  -2.51940   0.00000  12.56516
  67        3PZ         0.00000   0.00000   0.00000   4.30010   0.00000
  68 10  F  1S          0.00000  -0.01204  -0.02085   0.00000  -0.00330
  69        2S          0.00000  -0.03286  -0.05691   0.00000   0.02080
  70        2PX         0.07903   0.02632  -0.02173   0.00000   0.02651
  71        2PY        -0.13688  -0.05211   0.02632   0.00000  -0.00596
  72        2PZ         0.00000   0.00000   0.00000  -0.02530   0.00000
  73        3S          0.00000   0.78863   1.36595   0.00000  -0.25022
  74        3PX         0.34212   0.35343   0.03839   0.00000   0.52144
  75        3PY        -0.59257  -0.36972   0.35343   0.00000  -0.45225
  76        3PZ         0.00000   0.00000   0.00000  -0.54807   0.00000
  77 11  C  1S          0.00000   0.00439  -0.00761   0.00000  -0.00201
  78        2S          0.00000  -0.10265   0.17780   0.00000  -0.08567
  79        2PX        -0.00218  -0.07484  -0.02269   0.00000  -0.01617
  80        2PY        -0.00378  -0.10910  -0.07484   0.00000  -0.11313
  81        2PZ         0.00000   0.00000   0.00000  -0.05278   0.00000
  82        3S          0.00000  -6.90947  11.96755   0.00000 -14.95892
  83        3PX         3.82939  -4.34699   2.58655   0.00000   5.03629
  84        3PY         6.63270  -2.43292  -4.34699   0.00000  13.91672
  85        3PZ         0.00000   0.00000   0.00000  -4.08963   0.00000
  86 12  H  1S          0.00000  -0.04687   0.08118   0.00000  -0.08074
  87        2S          0.00000  -2.33068   4.03685   0.00000  -2.13214
                          51        52        53        54        55
                        (E')--V   (E')--V   (E')--V  (A1')--V   (E")--V
     EIGENVALUES --     0.85021   0.88679   0.88679   0.99511   0.99791
   1 1   C  1S          0.00000  -0.01806   0.00000   0.00294   0.00000
   2        2S          0.00000  -0.51401   0.00000   0.21960   0.00000
   3        2PX        -0.05722   0.00000   0.02696   0.00000   0.00000
   4        2PY         0.00000   0.08466   0.00000  -0.25758   0.00000
   5        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
   6        3S          0.00000  18.60522   0.00000  38.97256   0.00000
   7        3PX       -17.91459   0.00000 -10.73233   0.00000   0.00000
   8        3PY         0.00000  -5.31397   0.00000  -8.88500   0.00000
   9        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  10 2   F  1S          0.00000   0.00430   0.00000   0.03140   0.00000
  11        2S          0.00000   0.01362   0.00000  -0.00715   0.00000
  12        2PX         0.02127   0.00000   0.11224   0.00000   0.00000
  13        2PY         0.00000   0.11160   0.00000  -0.03508   0.00000
  14        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        3S          0.00000  -0.29836   0.00000  -1.24200   0.00000
  16        3PX         0.75330   0.00000   0.74255   0.00000   0.00000
  17        3PY         0.00000   0.50405   0.00000   0.18549   0.00000
  18        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  19 3   C  1S          0.00348   0.00555   0.00962   0.02969   0.00000
  20        2S          0.14839  -0.19414  -0.33627   0.16320   0.00000
  21        2PX         0.09446   0.12918  -0.04481  -0.24587   0.00000
  22        2PY        -0.01617  -0.19397   0.12918  -0.14195   0.00000
  23        2PZ         0.00000   0.00000   0.00000   0.00000  -0.74319
  24        3S         25.90960   5.41780   9.38391 -31.61904   0.00000
  25        3PX        -8.10131   3.81159   0.57713  11.26286   0.00000
  26        3PY         5.03629  -3.82411   3.81159   6.50261   0.00000
  27        3PZ         0.00000   0.00000   0.00000   0.00000   1.17185
  28 4   H  1S          0.13984  -0.06295  -0.10904  -0.07108   0.00000
  29        2S          3.69298  -0.29698  -0.51439  -6.65009   0.00000
  30 5   C  1S         -0.03334   0.00903  -0.01564   0.00294   0.00000
  31        2S          0.22205   0.25700  -0.44515   0.21960   0.00000
  32        2PX        -0.07931  -0.02499   0.07024  -0.22307   0.00000
  33        2PY         0.01275   0.04139  -0.02499   0.12879   0.00000
  34        2PZ         0.00000   0.00000   0.00000   0.00000   0.65157
  35        3S         15.33402  -9.30261  16.11259  38.97256   0.00000
  36        3PX        -1.86629  -2.34622  -6.66856  -7.69464   0.00000
  37        3PY        -9.26549  -9.37774  -2.34622   4.44250   0.00000
  38        3PZ         0.00000   0.00000   0.00000   0.00000  -0.62273
  39 6   F  1S         -0.00571  -0.00215   0.00373   0.03140   0.00000
  40        2S          0.03603  -0.00681   0.01179  -0.00715   0.00000
  41        2PX        -0.02465   0.00028   0.11176  -0.03038   0.00000
  42        2PY         0.02651   0.11208   0.00028   0.01754   0.00000
  43        2PZ         0.00000   0.00000   0.00000   0.00000  -0.08747
  44        3S         -0.43339   0.14918  -0.25839  -1.24200   0.00000
  45        3PX        -0.14986   0.10328   0.56367   0.16064   0.00000
  46        3PY         0.52144   0.68293   0.10328  -0.09274   0.00000
  47        3PZ         0.00000   0.00000   0.00000   0.00000  -0.32002
  48 7   C  1S          0.00000  -0.01111   0.00000   0.02969   0.00000
  49        2S          0.00000   0.38829   0.00000   0.16320   0.00000
  50        2PX         0.12247   0.00000  -0.26855   0.00000   0.00000
  51        2PY         0.00000   0.02977   0.00000   0.28391   0.00000
  52        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  53        3S          0.00000 -10.83560   0.00000 -31.61904   0.00000
  54        3PX       -16.82442   0.00000  -6.02473   0.00000   0.00000
  55        3PY         0.00000   2.77775   0.00000 -13.00523   0.00000
  56        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  57 8   H  1S          0.00000   0.12591   0.00000  -0.07108   0.00000
  58        2S          0.00000   0.59396   0.00000  -6.65009   0.00000
  59 9   C  1S          0.03334   0.00903   0.01564   0.00294   0.00000
  60        2S         -0.22205   0.25700   0.44515   0.21960   0.00000
  61        2PX        -0.07931   0.02499   0.07024   0.22307   0.00000
  62        2PY        -0.01275   0.04139   0.02499   0.12879   0.00000
  63        2PZ         0.00000   0.00000   0.00000   0.00000  -0.65157
  64        3S        -15.33402  -9.30261 -16.11259  38.97256   0.00000
  65        3PX        -1.86629   2.34622  -6.66856   7.69464   0.00000
  66        3PY         9.26549  -9.37774   2.34622   4.44250   0.00000
  67        3PZ         0.00000   0.00000   0.00000   0.00000   0.62273
  68 10  F  1S          0.00571  -0.00215  -0.00373   0.03140   0.00000
  69        2S         -0.03603  -0.00681  -0.01179  -0.00715   0.00000
  70        2PX        -0.02465  -0.00028   0.11176   0.03038   0.00000
  71        2PY        -0.02651   0.11208  -0.00028   0.01754   0.00000
  72        2PZ         0.00000   0.00000   0.00000   0.00000   0.08747
  73        3S          0.43339   0.14918   0.25839  -1.24200   0.00000
  74        3PX        -0.14986  -0.10328   0.56367  -0.16064   0.00000
  75        3PY        -0.52144   0.68293  -0.10328  -0.09274   0.00000
  76        3PZ         0.00000   0.00000   0.00000   0.00000   0.32002
  77 11  C  1S         -0.00348   0.00555  -0.00962   0.02969   0.00000
  78        2S         -0.14839  -0.19414   0.33627   0.16320   0.00000
  79        2PX         0.09446  -0.12918  -0.04481   0.24587   0.00000
  80        2PY         0.01617  -0.19397  -0.12918  -0.14195   0.00000
  81        2PZ         0.00000   0.00000   0.00000   0.00000   0.74319
  82        3S        -25.90960   5.41780  -9.38391 -31.61904   0.00000
  83        3PX        -8.10131  -3.81159   0.57713 -11.26286   0.00000
  84        3PY        -5.03629  -3.82411  -3.81159   6.50261   0.00000
  85        3PZ         0.00000   0.00000   0.00000   0.00000  -1.17185
  86 12  H  1S         -0.13984  -0.06295   0.10904  -0.07108   0.00000
  87        2S         -3.69298  -0.29698   0.51439  -6.65009   0.00000
                          56        57        58        59        60
                        (E")--V  (A2')--V   (E')--V   (E')--V   (E')--V
     EIGENVALUES --     0.99791   1.05861   1.08676   1.08676   1.12623
   1 1   C  1S          0.00000   0.00000   0.00131   0.00000  -0.03308
   2        2S          0.00000   0.00000   0.08629   0.00000  -0.26669
   3        2PX         0.00000   0.11724   0.00000   0.41379   0.00000
   4        2PY         0.00000   0.00000  -0.16764   0.00000   0.09412
   5        2PZ        -0.75237   0.00000   0.00000   0.00000   0.00000
   6        3S          0.00000   0.00000  28.27467   0.00000  -7.38448
   7        3PX         0.00000  49.68319   0.00000   2.86747   0.00000
   8        3PY         0.00000   0.00000  -5.86170   0.00000  -0.42785
   9        3PZ         0.71906   0.00000   0.00000   0.00000   0.00000
  10 2   F  1S          0.00000   0.00000   0.02288   0.00000   0.00280
  11        2S          0.00000   0.00000  -0.01336   0.00000  -0.06854
  12        2PX         0.00000   0.01003   0.00000  -0.12902   0.00000
  13        2PY         0.00000   0.00000  -0.03068   0.00000   0.11393
  14        2PZ         0.10101   0.00000   0.00000   0.00000   0.00000
  15        3S          0.00000   0.00000  -0.99214   0.00000   0.11161
  16        3PX         0.00000  -0.81800   0.00000  -0.10376   0.00000
  17        3PY         0.00000   0.00000   0.07902   0.00000   0.12751
  18        3PZ         0.36953   0.00000   0.00000   0.00000   0.00000
  19 3   C  1S          0.00000   0.00000   0.05180   0.08972  -0.01537
  20        2S          0.00000   0.00000   0.39317   0.68099   0.17692
  21        2PX         0.00000  -0.02781   0.00443  -0.18328   0.29368
  22        2PY         0.00000   0.04817  -0.18839   0.00443   0.12735
  23        2PZ         0.42908   0.00000   0.00000   0.00000   0.00000
  24        3S          0.00000   0.00000 -12.95592 -22.44031  -9.72541
  25        3PX         0.00000  24.07251   7.99355  11.27849  -6.70222
  26        3PY         0.00000 -41.69480   2.04833   7.99355   1.90259
  27        3PZ        -0.67657   0.00000   0.00000   0.00000   0.00000
  28 4   H  1S          0.00000   0.00000   0.11097   0.19220   0.17392
  29        2S          0.00000   0.00000  -5.10719  -8.84592   5.91207
  30 5   C  1S          0.00000   0.00000  -0.00065   0.00113   0.01654
  31        2S          0.00000   0.00000  -0.04314   0.07473   0.13334
  32        2PX         0.00000  -0.05862   0.25177  -0.02228   0.00907
  33        2PY         0.00000  -0.10153   0.26843   0.25177   0.10983
  34        2PZ         0.37618   0.00000   0.00000   0.00000   0.00000
  35        3S          0.00000   0.00000 -14.13734  24.48659   3.69224
  36        3PX         0.00000 -24.84160   3.77985  -3.67941   3.91593
  37        3PY         0.00000 -43.02691   0.68518   3.77985   6.35474
  38        3PZ        -0.35953   0.00000   0.00000   0.00000   0.00000
  39 6   F  1S          0.00000   0.00000  -0.01144   0.01982  -0.00140
  40        2S          0.00000   0.00000   0.00668  -0.01157   0.03427
  41        2PX         0.00000  -0.00502  -0.04258  -0.05526  -0.05533
  42        2PY         0.00000  -0.00869  -0.10444  -0.04258   0.01809
  43        2PZ        -0.05050   0.00000   0.00000   0.00000   0.00000
  44        3S          0.00000   0.00000   0.49607  -0.85922  -0.05580
  45        3PX         0.00000   0.40900  -0.07915   0.03333  -0.07845
  46        3PY         0.00000   0.70841  -0.05806  -0.07915  -0.00836
  47        3PZ        -0.18476   0.00000   0.00000   0.00000   0.00000
  48 7   C  1S          0.00000   0.00000  -0.10360   0.00000   0.03074
  49        2S          0.00000   0.00000  -0.78634   0.00000  -0.35384
  50        2PX         0.00000   0.05563   0.00000  -0.19094   0.00000
  51        2PY         0.00000   0.00000  -0.18073   0.00000   0.63601
  52        2PZ        -0.85816   0.00000   0.00000   0.00000   0.00000
  53        3S          0.00000   0.00000  25.91184   0.00000  19.45083
  54        3PX         0.00000 -48.14501   0.00000  -2.56675   0.00000
  55        3PY         0.00000   0.00000  15.89357   0.00000  -9.70600
  56        3PZ         1.35314   0.00000   0.00000   0.00000   0.00000
  57 8   H  1S          0.00000   0.00000  -0.22194   0.00000  -0.34784
  58        2S          0.00000   0.00000  10.21439   0.00000 -11.82414
  59 9   C  1S          0.00000   0.00000  -0.00065  -0.00113   0.01654
  60        2S          0.00000   0.00000  -0.04314  -0.07473   0.13334
  61        2PX         0.00000  -0.05862  -0.25177  -0.02228  -0.00907
  62        2PY         0.00000   0.10153   0.26843  -0.25177   0.10983
  63        2PZ         0.37618   0.00000   0.00000   0.00000   0.00000
  64        3S          0.00000   0.00000 -14.13734 -24.48659   3.69224
  65        3PX         0.00000 -24.84160  -3.77985  -3.67941  -3.91593
  66        3PY         0.00000  43.02691   0.68518  -3.77985   6.35474
  67        3PZ        -0.35953   0.00000   0.00000   0.00000   0.00000
  68 10  F  1S          0.00000   0.00000  -0.01144  -0.01982  -0.00140
  69        2S          0.00000   0.00000   0.00668   0.01157   0.03427
  70        2PX         0.00000  -0.00502   0.04258  -0.05526   0.05533
  71        2PY         0.00000   0.00869  -0.10444   0.04258   0.01809
  72        2PZ        -0.05050   0.00000   0.00000   0.00000   0.00000
  73        3S          0.00000   0.00000   0.49607   0.85922  -0.05580
  74        3PX         0.00000   0.40900   0.07915   0.03333   0.07845
  75        3PY         0.00000  -0.70841  -0.05806   0.07915  -0.00836
  76        3PZ        -0.18476   0.00000   0.00000   0.00000   0.00000
  77 11  C  1S          0.00000   0.00000   0.05180  -0.08972  -0.01537
  78        2S          0.00000   0.00000   0.39317  -0.68099   0.17692
  79        2PX         0.00000  -0.02781  -0.00443  -0.18328  -0.29368
  80        2PY         0.00000  -0.04817  -0.18839  -0.00443   0.12735
  81        2PZ         0.42908   0.00000   0.00000   0.00000   0.00000
  82        3S          0.00000   0.00000 -12.95592  22.44031  -9.72541
  83        3PX         0.00000  24.07251  -7.99355  11.27849   6.70222
  84        3PY         0.00000  41.69480   2.04833  -7.99355   1.90259
  85        3PZ        -0.67657   0.00000   0.00000   0.00000   0.00000
  86 12  H  1S          0.00000   0.00000   0.11097  -0.19220   0.17392
  87        2S          0.00000   0.00000  -5.10719   8.84592   5.91207
                          61        62        63        64        65
                        (E')--V  (A2")--V  (A1')--V  (A2")--V  (A1')--V
     EIGENVALUES --     1.12623   1.30575   1.31672   1.84007   1.87009
   1 1   C  1S          0.00000   0.00000   0.03935   0.00000   0.10509
   2        2S          0.00000   0.00000   0.03188   0.00000   0.41476
   3        2PX        -0.11507   0.00000   0.00000   0.00000   0.00000
   4        2PY         0.00000   0.00000   0.08082   0.00000   0.03814
   5        2PZ         0.00000   0.54507   0.00000  -0.48705   0.00000
   6        3S          0.00000   0.00000 -40.91222   0.00000  54.36102
   7        3PX        -8.61560   0.00000   0.00000   0.00000   0.00000
   8        3PY         0.00000   0.00000   8.82142   0.00000 -13.74643
   9        3PZ         0.00000  -0.54353   0.00000   1.54623   0.00000
  10 2   F  1S          0.00000   0.00000  -0.01015   0.00000   0.01525
  11        2S          0.00000   0.00000   0.07063   0.00000   0.14609
  12        2PX         0.01386   0.00000   0.00000   0.00000   0.00000
  13        2PY         0.00000   0.00000  -0.12156   0.00000  -0.44656
  14        2PZ         0.00000   0.21369   0.00000   0.52742   0.00000
  15        3S          0.00000   0.00000   0.77419   0.00000  -1.49682
  16        3PX         0.05365   0.00000   0.00000   0.00000   0.00000
  17        3PY         0.00000   0.00000   0.09111   0.00000   1.65761
  18        3PZ         0.00000  -0.62681   0.00000  -0.64935   0.00000
  19 3   C  1S          0.02662   0.00000  -0.03960   0.00000   0.01251
  20        2S         -0.30644   0.00000  -0.58395   0.00000   0.06192
  21        2PX        -0.46646   0.00000  -0.33171   0.00000  -0.20027
  22        2PY        -0.29368   0.00000  -0.19151   0.00000  -0.11562
  23        2PZ         0.00000  -0.58026   0.00000   0.47163   0.00000
  24        3S         16.84491   0.00000  42.87214   0.00000 -48.83252
  25        3PX         5.83647   0.00000  -7.01072   0.00000  13.73783
  26        3PY         6.70222   0.00000  -4.04764   0.00000   7.93154
  27        3PZ         0.00000   0.82057   0.00000  -1.32605   0.00000
  28 4   H  1S         -0.30124   0.00000  -0.27347   0.00000   0.67649
  29        2S        -10.24000   0.00000  -2.05658   0.00000  -5.09922
  30 5   C  1S          0.02864   0.00000   0.03935   0.00000   0.10509
  31        2S          0.23096   0.00000   0.03188   0.00000   0.41476
  32        2PX        -0.09936   0.00000   0.06999   0.00000   0.03303
  33        2PY        -0.00907   0.00000  -0.04041   0.00000  -0.01907
  34        2PZ         0.00000   0.54507   0.00000  -0.48705   0.00000
  35        3S          6.39514   0.00000 -40.91222   0.00000  54.36102
  36        3PX        -1.83301   0.00000   7.63957   0.00000 -11.90476
  37        3PY        -3.91593   0.00000  -4.41071   0.00000   6.87322
  38        3PZ         0.00000  -0.54353   0.00000   1.54623   0.00000
  39 6   F  1S         -0.00242   0.00000  -0.01015   0.00000   0.01525
  40        2S          0.05936   0.00000   0.07063   0.00000   0.14609
  41        2PX        -0.08198   0.00000  -0.10528   0.00000  -0.38673
  42        2PY         0.05533   0.00000   0.06078   0.00000   0.22328
  43        2PZ         0.00000   0.21369   0.00000   0.52742   0.00000
  44        3S         -0.09666   0.00000   0.77419   0.00000  -1.49682
  45        3PX        -0.08222   0.00000   0.07891   0.00000   1.43553
  46        3PY         0.07845   0.00000  -0.04556   0.00000  -0.82880
  47        3PZ         0.00000  -0.62681   0.00000  -0.64935   0.00000
  48 7   C  1S          0.00000   0.00000  -0.03960   0.00000   0.01251
  49        2S          0.00000   0.00000  -0.58395   0.00000   0.06192
  50        2PX         0.04220   0.00000   0.00000   0.00000   0.00000
  51        2PY         0.00000   0.00000   0.38302   0.00000   0.23125
  52        2PZ         0.00000  -0.58026   0.00000   0.47163   0.00000
  53        3S          0.00000   0.00000  42.87214   0.00000 -48.83252
  54        3PX        -5.77212   0.00000   0.00000   0.00000   0.00000
  55        3PY         0.00000   0.00000   8.09528   0.00000 -15.86308
  56        3PZ         0.00000   0.82057   0.00000  -1.32605   0.00000
  57 8   H  1S          0.00000   0.00000  -0.27347   0.00000   0.67649
  58        2S          0.00000   0.00000  -2.05658   0.00000  -5.09922
  59 9   C  1S         -0.02864   0.00000   0.03935   0.00000   0.10509
  60        2S         -0.23096   0.00000   0.03188   0.00000   0.41476
  61        2PX        -0.09936   0.00000  -0.06999   0.00000  -0.03303
  62        2PY         0.00907   0.00000  -0.04041   0.00000  -0.01907
  63        2PZ         0.00000   0.54507   0.00000  -0.48705   0.00000
  64        3S         -6.39514   0.00000 -40.91222   0.00000  54.36102
  65        3PX        -1.83301   0.00000  -7.63957   0.00000  11.90476
  66        3PY         3.91593   0.00000  -4.41071   0.00000   6.87322
  67        3PZ         0.00000  -0.54353   0.00000   1.54623   0.00000
  68 10  F  1S          0.00242   0.00000  -0.01015   0.00000   0.01525
  69        2S         -0.05936   0.00000   0.07063   0.00000   0.14609
  70        2PX        -0.08198   0.00000   0.10528   0.00000   0.38673
  71        2PY        -0.05533   0.00000   0.06078   0.00000   0.22328
  72        2PZ         0.00000   0.21369   0.00000   0.52742   0.00000
  73        3S          0.09666   0.00000   0.77419   0.00000  -1.49682
  74        3PX        -0.08222   0.00000  -0.07891   0.00000  -1.43553
  75        3PY        -0.07845   0.00000  -0.04556   0.00000  -0.82880
  76        3PZ         0.00000  -0.62681   0.00000  -0.64935   0.00000
  77 11  C  1S         -0.02662   0.00000  -0.03960   0.00000   0.01251
  78        2S          0.30644   0.00000  -0.58395   0.00000   0.06192
  79        2PX        -0.46646   0.00000   0.33171   0.00000   0.20027
  80        2PY         0.29368   0.00000  -0.19151   0.00000  -0.11562
  81        2PZ         0.00000  -0.58026   0.00000   0.47163   0.00000
  82        3S        -16.84491   0.00000  42.87214   0.00000 -48.83252
  83        3PX         5.83647   0.00000   7.01072   0.00000 -13.73783
  84        3PY        -6.70222   0.00000  -4.04764   0.00000   7.93154
  85        3PZ         0.00000   0.82057   0.00000  -1.32605   0.00000
  86 12  H  1S          0.30124   0.00000  -0.27347   0.00000   0.67649
  87        2S         10.24000   0.00000  -2.05658   0.00000  -5.09922
                          66        67        68        69        70
                        (E")--V   (E")--V   (E')--V   (E')--V   (E')--V
     EIGENVALUES --     1.88218   1.88218   1.89982   1.89982   1.98806
   1 1   C  1S          0.00000   0.00000  -0.13864   0.00000   0.10135
   2        2S          0.00000   0.00000  -0.99624   0.00000   0.21668
   3        2PX         0.00000   0.00000   0.00000   0.72928   0.00000
   4        2PY         0.00000   0.00000  -0.09343   0.00000   0.75381
   5        2PZ         0.00000  -0.08593   0.00000   0.00000   0.00000
   6        3S          0.00000   0.00000  -1.75331   0.00000  15.57830
   7        3PX         0.00000   0.00000   0.00000   1.41510   0.00000
   8        3PY         0.00000   0.00000   4.94759   0.00000  -7.60308
   9        3PZ         0.00000   2.16019   0.00000   0.00000   0.00000
  10 2   F  1S          0.00000   0.00000  -0.01045   0.00000   0.04753
  11        2S          0.00000   0.00000  -0.18398   0.00000  -0.42410
  12        2PX         0.00000   0.00000   0.00000   0.22482   0.00000
  13        2PY         0.00000   0.00000   0.44632   0.00000  -0.24824
  14        2PZ         0.00000   0.79934   0.00000   0.00000   0.00000
  15        3S          0.00000   0.00000   0.94817   0.00000  -0.68150
  16        3PX         0.00000   0.00000   0.00000  -1.40688   0.00000
  17        3PY         0.00000   0.00000  -2.24413   0.00000   2.24652
  18        3PZ         0.00000  -1.66982   0.00000   0.00000   0.00000
  19 3   C  1S          0.00000   0.00000  -0.00307  -0.00532   0.00275
  20        2S          0.00000   0.00000  -0.17100  -0.29618   0.13883
  21        2PX         0.00000   0.00000  -0.01512   0.39909  -0.27759
  22        2PY         0.00000   0.00000   0.41655  -0.01512   0.58369
  23        2PZ         0.07116   0.04109   0.00000   0.00000   0.00000
  24        3S          0.00000   0.00000   1.00788   1.74569 -13.13833
  25        3PX         0.00000   0.00000   0.92560  -2.10970   2.68157
  26        3PY         0.00000   0.00000  -3.17849   0.92560   4.57102
  27        3PZ        -0.72152  -0.41657   0.00000   0.00000   0.00000
  28 4   H  1S          0.00000   0.00000  -0.23026  -0.39883  -0.09506
  29        2S          0.00000   0.00000   0.01875   0.03248  -2.53272
  30 5   C  1S          0.00000   0.00000   0.06932  -0.12006  -0.05067
  31        2S          0.00000   0.00000   0.49812  -0.86277  -0.10834
  32        2PX         0.00000   0.00000   0.35624   0.11225  -0.03956
  33        2PY         0.00000   0.00000   0.52360   0.35624   0.68530
  34        2PZ        -0.07442   0.04297   0.00000   0.00000   0.00000
  35        3S          0.00000   0.00000   0.87665  -1.51841  -7.78915
  36        3PX         0.00000   0.00000  -1.52961   4.06446   6.65334
  37        3PY         0.00000   0.00000   2.29822  -1.52961   3.92084
  38        3PZ         1.87078  -1.08009   0.00000   0.00000   0.00000
  39 6   F  1S          0.00000   0.00000   0.00522  -0.00905  -0.02377
  40        2S          0.00000   0.00000   0.09199  -0.15933   0.21205
  41        2PX         0.00000   0.00000  -0.09591   0.39094   0.23661
  42        2PY         0.00000   0.00000   0.28019  -0.09591   0.16159
  43        2PZ         0.69225  -0.39967   0.00000   0.00000   0.00000
  44        3S          0.00000   0.00000  -0.47408   0.82114   0.34075
  45        3PX         0.00000   0.00000   0.36254  -2.03482  -1.50285
  46        3PY         0.00000   0.00000  -1.61619   0.36254  -0.35649
  47        3PZ        -1.44611   0.83491   0.00000   0.00000   0.00000
  48 7   C  1S          0.00000   0.00000   0.00614   0.00000  -0.00550
  49        2S          0.00000   0.00000   0.34200   0.00000  -0.27766
  50        2PX         0.00000   0.00000   0.00000   0.42527   0.00000
  51        2PY         0.00000   0.00000   0.39036   0.00000   0.10289
  52        2PZ         0.00000  -0.08217   0.00000   0.00000   0.00000
  53        3S          0.00000   0.00000  -2.01575   0.00000  26.27666
  54        3PX         0.00000   0.00000   0.00000  -3.71289   0.00000
  55        3PY         0.00000   0.00000  -1.57531   0.00000   9.21564
  56        3PZ         0.00000   0.83314   0.00000   0.00000   0.00000
  57 8   H  1S          0.00000   0.00000   0.46052   0.00000   0.19012
  58        2S          0.00000   0.00000  -0.03751   0.00000   5.06544
  59 9   C  1S          0.00000   0.00000   0.06932   0.12006  -0.05067
  60        2S          0.00000   0.00000   0.49812   0.86277  -0.10834
  61        2PX         0.00000   0.00000  -0.35624   0.11225   0.03956
  62        2PY         0.00000   0.00000   0.52360  -0.35624   0.68530
  63        2PZ         0.07442   0.04297   0.00000   0.00000   0.00000
  64        3S          0.00000   0.00000   0.87665   1.51841  -7.78915
  65        3PX         0.00000   0.00000   1.52961   4.06446  -6.65334
  66        3PY         0.00000   0.00000   2.29822   1.52961   3.92084
  67        3PZ        -1.87078  -1.08009   0.00000   0.00000   0.00000
  68 10  F  1S          0.00000   0.00000   0.00522   0.00905  -0.02377
  69        2S          0.00000   0.00000   0.09199   0.15933   0.21205
  70        2PX         0.00000   0.00000   0.09591   0.39094  -0.23661
  71        2PY         0.00000   0.00000   0.28019   0.09591   0.16159
  72        2PZ        -0.69225  -0.39967   0.00000   0.00000   0.00000
  73        3S          0.00000   0.00000  -0.47408  -0.82114   0.34075
  74        3PX         0.00000   0.00000  -0.36254  -2.03482   1.50285
  75        3PY         0.00000   0.00000  -1.61619  -0.36254  -0.35649
  76        3PZ         1.44611   0.83491   0.00000   0.00000   0.00000
  77 11  C  1S          0.00000   0.00000  -0.00307   0.00532   0.00275
  78        2S          0.00000   0.00000  -0.17100   0.29618   0.13883
  79        2PX         0.00000   0.00000   0.01512   0.39909   0.27759
  80        2PY         0.00000   0.00000   0.41655   0.01512   0.58369
  81        2PZ        -0.07116   0.04109   0.00000   0.00000   0.00000
  82        3S          0.00000   0.00000   1.00788  -1.74569 -13.13833
  83        3PX         0.00000   0.00000  -0.92560  -2.10970  -2.68157
  84        3PY         0.00000   0.00000  -3.17849  -0.92560   4.57102
  85        3PZ         0.72152  -0.41657   0.00000   0.00000   0.00000
  86 12  H  1S          0.00000   0.00000  -0.23026   0.39883  -0.09506
  87        2S          0.00000   0.00000   0.01875  -0.03248  -2.53272
                          71        72        73        74        75
                        (E')--V  (A2')--V   (E')--V   (E')--V  (A1')--V
     EIGENVALUES --     1.98806   2.02739   2.30272   2.30272   2.31469
   1 1   C  1S          0.00000   0.00000   0.02479   0.00000   0.04916
   2        2S          0.00000   0.00000   0.31237   0.00000   0.57613
   3        2PX        -0.66246   0.47219   0.00000   0.29572   0.00000
   4        2PY         0.00000   0.00000  -0.49824   0.00000   0.34706
   5        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
   6        3S          0.00000   0.00000  -3.69911   0.00000  22.94878
   7        3PX        -7.76215  12.81438   0.00000 -11.69794   0.00000
   8        3PY         0.00000   0.00000   0.15800   0.00000  -7.35715
   9        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  10 2   F  1S          0.00000   0.00000  -0.02442   0.00000   0.03908
  11        2S          0.00000   0.00000   0.53819   0.00000  -0.81289
  12        2PX        -0.29820   0.48708   0.00000  -0.69032   0.00000
  13        2PY         0.00000   0.00000  -0.15302   0.00000  -0.08347
  14        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        3S          0.00000   0.00000  -0.52928   0.00000   0.69694
  16        3PX         1.22416  -1.84181   0.00000   1.79634   0.00000
  17        3PY         0.00000   0.00000  -0.12514   0.00000   1.08348
  18        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  19 3   C  1S         -0.00477   0.00000  -0.01718   0.02976   0.05003
  20        2S         -0.24046   0.00000  -0.05943   0.10294   0.69008
  21        2PX        -0.26316   0.14162   0.10036   0.39918   0.27639
  22        2PY         0.27759  -0.24530  -0.51506  -0.10036   0.15957
  23        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  24        3S         22.75625   0.00000 -10.75428  18.62696 -21.25897
  25        3PX        -7.66743   4.72012  -1.87336  -2.25625   6.75385
  26        3PY        -2.68157  -8.17549   4.41942   1.87336   3.89934
  27        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  28 4   H  1S          0.16465   0.00000   0.42159  -0.73022  -0.72765
  29        2S          4.38680   0.00000  -0.30064   0.52073  -2.24589
  30 5   C  1S         -0.08777   0.00000  -0.01239  -0.02147   0.04916
  31        2S         -0.18765   0.00000  -0.15619  -0.27052   0.57613
  32        2PX        -0.73097  -0.23610   0.08769   0.44761   0.30057
  33        2PY         0.03956  -0.40893  -0.34635  -0.08769  -0.17353
  34        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  35        3S        -13.49120   0.00000   1.84955   3.20352  22.94878
  36        3PX         3.76177  -6.40719   4.99694  -3.04299  -6.37148
  37        3PY        -6.65334 -11.09758   8.81295  -4.99694   3.67857
  38        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  39 6   F  1S         -0.04116   0.00000   0.01221   0.02115   0.03908
  40        2S          0.36728   0.00000  -0.26909  -0.46608  -0.81289
  41        2PX         0.11163  -0.24354   0.36518  -0.05781  -0.07229
  42        2PY        -0.23661  -0.42183   0.47948  -0.36518   0.04174
  43        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  44        3S          0.59020   0.00000   0.26464   0.45837   0.69694
  45        3PX        -1.37885   0.92091  -0.72365   0.54294   0.93832
  46        3PY         1.50285   1.59506  -1.37854   0.72365  -0.54174
  47        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  48 7   C  1S          0.00000   0.00000   0.03436   0.00000   0.05003
  49        2S          0.00000   0.00000   0.11886   0.00000   0.69008
  50        2PX        -0.74395  -0.28325   0.00000   0.57300   0.00000
  51        2PY         0.00000   0.00000  -0.34123   0.00000  -0.31915
  52        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  53        3S          0.00000   0.00000  21.50856   0.00000 -21.25897
  54        3PX        -3.02281  -9.44024   0.00000  -5.50101   0.00000
  55        3PY         0.00000   0.00000   1.17466   0.00000  -7.79867
  56        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  57 8   H  1S          0.00000   0.00000  -0.84318   0.00000  -0.72765
  58        2S          0.00000   0.00000   0.60128   0.00000  -2.24589
  59 9   C  1S          0.08777   0.00000  -0.01239   0.02147   0.04916
  60        2S          0.18765   0.00000  -0.15619   0.27052   0.57613
  61        2PX        -0.73097  -0.23610  -0.08769   0.44761  -0.30057
  62        2PY        -0.03956   0.40893  -0.34635   0.08769  -0.17353
  63        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  64        3S         13.49120   0.00000   1.84955  -3.20352  22.94878
  65        3PX         3.76177  -6.40719  -4.99694  -3.04299   6.37148
  66        3PY         6.65334  11.09758   8.81295   4.99694   3.67857
  67        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  68 10  F  1S          0.04116   0.00000   0.01221  -0.02115   0.03908
  69        2S         -0.36728   0.00000  -0.26909   0.46608  -0.81289
  70        2PX         0.11163  -0.24354  -0.36518  -0.05781   0.07229
  71        2PY         0.23661   0.42183   0.47948   0.36518   0.04174
  72        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  73        3S         -0.59020   0.00000   0.26464  -0.45837   0.69694
  74        3PX        -1.37885   0.92091   0.72365   0.54294  -0.93832
  75        3PY        -1.50285  -1.59506  -1.37854  -0.72365  -0.54174
  76        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  77 11  C  1S          0.00477   0.00000  -0.01718  -0.02976   0.05003
  78        2S          0.24046   0.00000  -0.05943  -0.10294   0.69008
  79        2PX        -0.26316   0.14162  -0.10036   0.39918  -0.27639
  80        2PY        -0.27759   0.24530  -0.51506   0.10036   0.15957
  81        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  82        3S        -22.75625   0.00000 -10.75428 -18.62696 -21.25897
  83        3PX        -7.66743   4.72012   1.87336  -2.25625  -6.75385
  84        3PY         2.68157   8.17549   4.41942  -1.87336   3.89934
  85        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  86 12  H  1S         -0.16465   0.00000   0.42159   0.73022  -0.72765
  87        2S         -4.38680   0.00000  -0.30064  -0.52073  -2.24589
                          76        77        78        79        80
                        (E')--V   (E')--V  (A1')--V   (E')--V   (E')--V
     EIGENVALUES --     2.67921   2.67921   2.97853   3.25509   3.25509
   1 1   C  1S          0.06709   0.00000   0.15187   0.25273   0.00000
   2        2S         -0.33066   0.00000   0.72651   2.41772   0.00000
   3        2PX         0.00000   0.04740   0.00000   0.00000  -1.17616
   4        2PY         0.97802   0.00000   0.65463  -0.63291   0.00000
   5        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
   6        3S         11.88210   0.00000  56.42194   2.63691   0.00000
   7        3PX         0.00000  -1.23768   0.00000   0.00000  -4.05125
   8        3PY        -0.76703   0.00000 -13.13959  -2.68658   0.00000
   9        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  10 2   F  1S         -0.01283   0.00000   0.00887  -0.00514   0.00000
  11        2S          1.12423   0.00000   0.77022   0.87734   0.00000
  12        2PX         0.00000  -0.05922   0.00000   0.00000   0.17510
  13        2PY         0.35347   0.00000   0.09295  -0.13814   0.00000
  14        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        3S         -3.93140   0.00000  -3.96397  -2.55958   0.00000
  16        3PX         0.00000   0.30984   0.00000   0.00000   0.40852
  17        3PY         0.70761   0.00000   1.70167   1.55058   0.00000
  18        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  19 3   C  1S          0.01920   0.03325   0.10089  -0.07404   0.12824
  20        2S          0.42276   0.73224   1.78789  -0.97021   1.68045
  21        2PX        -0.60625  -0.17601   0.02013   0.52018  -0.82411
  22        2PY         0.52403  -0.60625   0.01162   0.22346  -0.52018
  23        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  24        3S         -1.94241  -3.36435 -49.62655  -4.94415   8.56351
  25        3PX         2.54991   1.91423  14.29414   0.59869  -4.82848
  26        3PY        -1.03014   2.54991   8.25273   4.13717  -0.59869
  27        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  28 4   H  1S          0.09047   0.15670  -0.62709  -0.17887   0.30981
  29        2S         -1.12621  -1.95065  -5.47250  -2.05565   3.56048
  30 5   C  1S         -0.03354   0.05810   0.15187  -0.12636  -0.21887
  31        2S          0.16533  -0.28636   0.72651  -1.20886  -2.09380
  32        2PX        -0.40297   0.74537   0.56693   0.78335   0.18065
  33        2PY         0.28006  -0.40297  -0.32732   0.72389  -0.78335
  34        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  35        3S         -5.94105  10.29020  56.42194  -1.31846  -2.28363
  36        3PX        -0.20380  -0.88469 -11.37922   2.91756   1.00212
  37        3PY        -1.12002  -0.20380   6.56980   2.36679  -2.91756
  38        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  39 6   F  1S          0.00642  -0.01111   0.00887   0.00257   0.00445
  40        2S         -0.56211   0.97361   0.77022  -0.43867  -0.75980
  41        2PX        -0.17870   0.25029   0.08050  -0.01600   0.14738
  42        2PY         0.04395  -0.17870  -0.04647  -0.16586   0.01600
  43        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  44        3S          1.96570  -3.40469  -3.96397   1.27979   2.21666
  45        3PX        -0.17224   0.60816   1.47369  -0.84831  -1.06081
  46        3PY         0.40928  -0.17224  -0.85083   0.08126   0.84831
  47        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  48 7   C  1S         -0.03840   0.00000   0.10089   0.14808   0.00000
  49        2S         -0.84552   0.00000   1.78789   1.94041   0.00000
  50        2PX         0.00000   0.87405   0.00000   0.00000   0.07686
  51        2PY        -0.52602   0.00000  -0.02324   1.12443   0.00000
  52        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  53        3S          3.88482   0.00000 -49.62655   9.88829   0.00000
  54        3PX         0.00000  -2.50233   0.00000   0.00000  -3.79151
  55        3PY         3.38642   0.00000 -16.50545   5.17414   0.00000
  56        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  57 8   H  1S         -0.18094   0.00000  -0.62709   0.35774   0.00000
  58        2S          2.25242   0.00000  -5.47250   4.11129   0.00000
  59 9   C  1S         -0.03354  -0.05810   0.15187  -0.12636   0.21887
  60        2S          0.16533   0.28636   0.72651  -1.20886   2.09380
  61        2PX         0.40297   0.74537  -0.56693  -0.78335   0.18065
  62        2PY         0.28006   0.40297  -0.32732   0.72389   0.78335
  63        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  64        3S         -5.94105 -10.29020  56.42194  -1.31846   2.28363
  65        3PX         0.20380  -0.88469  11.37922  -2.91756   1.00212
  66        3PY        -1.12002   0.20380   6.56980   2.36679   2.91756
  67        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  68 10  F  1S          0.00642   0.01111   0.00887   0.00257  -0.00445
  69        2S         -0.56211  -0.97361   0.77022  -0.43867   0.75980
  70        2PX         0.17870   0.25029  -0.08050   0.01600   0.14738
  71        2PY         0.04395   0.17870  -0.04647  -0.16586  -0.01600
  72        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  73        3S          1.96570   3.40469  -3.96397   1.27979  -2.21666
  74        3PX         0.17224   0.60816  -1.47369   0.84831  -1.06081
  75        3PY         0.40928   0.17224  -0.85083   0.08126  -0.84831
  76        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  77 11  C  1S          0.01920  -0.03325   0.10089  -0.07404  -0.12824
  78        2S          0.42276  -0.73224   1.78789  -0.97021  -1.68045
  79        2PX         0.60625  -0.17601  -0.02013  -0.52018  -0.82411
  80        2PY         0.52403   0.60625   0.01162   0.22346   0.52018
  81        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  82        3S         -1.94241   3.36435 -49.62655  -4.94415  -8.56351
  83        3PX        -2.54991   1.91423 -14.29414  -0.59869  -4.82848
  84        3PY        -1.03014  -2.54991   8.25273   4.13717   0.59869
  85        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  86 12  H  1S          0.09047  -0.15670  -0.62709  -0.17887  -0.30981
  87        2S         -1.12621   1.95065  -5.47250  -2.05565  -3.56048
                          81        82        83        84        85
                       (A2')--V   (E')--V   (E')--V  (A1')--V   (E')--V
     EIGENVALUES --     3.48117   3.82688   3.82688   4.04759   4.10364
   1 1   C  1S          0.00000   0.03329   0.00000   0.18069   0.41708
   2        2S          0.00000   0.01913   0.00000   1.81786   3.91763
   3        2PX        -1.28370   0.00000  -0.95353   0.00000   0.00000
   4        2PY         0.00000  -0.33556   0.00000   1.22981   1.45818
   5        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
   6        3S          0.00000  20.07520   0.00000   6.13968  -0.99807
   7        3PX         6.76609   0.00000  -0.67514   0.00000   0.00000
   8        3PY         0.00000  -4.30709   0.00000  -1.28664  -1.04187
   9        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  10 2   F  1S          0.00000   0.00651   0.00000   0.00540   0.00501
  11        2S          0.00000   0.53531   0.00000  -0.49580  -0.72000
  12        2PX         0.34685   0.00000   0.24448   0.00000   0.00000
  13        2PY         0.00000  -0.19319   0.00000   0.56433   0.81950
  14        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  15        3S          0.00000  -1.16082   0.00000  -1.83448  -2.61496
  16        3PX        -0.43622   0.00000  -0.20175   0.00000   0.00000
  17        3PY         0.00000   0.47174   0.00000   0.78238   1.27998
  18        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  19 3   C  1S          0.00000   0.14286   0.24744  -0.05123   0.01533
  20        2S          0.00000   1.56916   2.71786  -0.59372   0.12738
  21        2PX        -0.65424   0.57119   0.58740  -0.60922   0.45185
  22        2PY         1.13318  -0.07216   0.57119  -0.35173  -0.76623
  23        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  24        3S          0.00000  -6.13964 -10.63417  -4.37494  -4.36891
  25        3PX         3.07873   6.55573   8.68035   1.79162   0.72864
  26        3PY        -5.33253   1.11045   6.55573   1.03439   4.11189
  27        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  28 4   H  1S          0.00000  -1.01280  -1.75421   0.79644  -0.08054
  29        2S          0.00000  -4.20051  -7.27550  -1.38839  -2.24045
  30 5   C  1S          0.00000  -0.01664   0.02883   0.18069  -0.20854
  31        2S          0.00000  -0.00957   0.01657   1.81786  -1.95882
  32        2PX         0.64185  -0.26759  -0.49005   1.06505  -0.79508
  33        2PY         1.11172  -0.79904  -0.26759  -0.61491   0.08106
  34        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  35        3S          0.00000 -10.03760  17.38563   6.13968   0.49903
  36        3PX        -3.38305   1.57268  -3.39910  -1.11426   2.19168
  37        3PY        -5.85961  -1.58313   1.57268   0.64332   2.75422
  38        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  39 6   F  1S          0.00000  -0.00326   0.00564   0.00540  -0.00250
  40        2S          0.00000  -0.26765   0.46359  -0.49580   0.36000
  41        2PX        -0.17343   0.18951  -0.08377   0.48872  -0.29224
  42        2PY        -0.30038   0.13506   0.18951  -0.28216   0.31332
  43        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  44        3S          0.00000   0.58041  -1.00530  -1.83448   1.30748
  45        3PX         0.21811  -0.29163   0.30336   0.67756  -0.72286
  46        3PY         0.37778  -0.03338  -0.29163  -0.39119   0.02795
  47        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  48 7   C  1S          0.00000  -0.28571   0.00000  -0.05123  -0.03066
  49        2S          0.00000  -3.13832   0.00000  -0.59372  -0.25477
  50        2PX         1.30848   0.00000  -0.40194   0.00000   0.00000
  51        2PY         0.00000   0.91718   0.00000   0.70347   0.01640
  52        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  53        3S          0.00000  12.27928   0.00000  -4.37494   8.73782
  54        3PX        -6.15747   0.00000  -2.67450   0.00000   0.00000
  55        3PY         0.00000  12.46530   0.00000  -2.06879   5.37393
  56        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  57 8   H  1S          0.00000   2.02559   0.00000   0.79644   0.16109
  58        2S          0.00000   8.40103   0.00000  -1.38839   4.48090
  59 9   C  1S          0.00000  -0.01664  -0.02883   0.18069  -0.20854
  60        2S          0.00000  -0.00957  -0.01657   1.81786  -1.95882
  61        2PX         0.64185   0.26759  -0.49005  -1.06505   0.79508
  62        2PY        -1.11172  -0.79904   0.26759  -0.61491   0.08106
  63        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  64        3S          0.00000 -10.03760 -17.38563   6.13968   0.49903
  65        3PX        -3.38305  -1.57268  -3.39910   1.11426  -2.19168
  66        3PY         5.85961  -1.58313  -1.57268   0.64332   2.75422
  67        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  68 10  F  1S          0.00000  -0.00326  -0.00564   0.00540  -0.00250
  69        2S          0.00000  -0.26765  -0.46359  -0.49580   0.36000
  70        2PX        -0.17343  -0.18951  -0.08377  -0.48872   0.29224
  71        2PY         0.30038   0.13506  -0.18951  -0.28216   0.31332
  72        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  73        3S          0.00000   0.58041   1.00530  -1.83448   1.30748
  74        3PX         0.21811   0.29163   0.30336  -0.67756   0.72286
  75        3PY        -0.37778  -0.03338   0.29163  -0.39119   0.02795
  76        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  77 11  C  1S          0.00000   0.14286  -0.24744  -0.05123   0.01533
  78        2S          0.00000   1.56916  -2.71786  -0.59372   0.12738
  79        2PX        -0.65424  -0.57119   0.58740   0.60922  -0.45185
  80        2PY        -1.13318  -0.07216  -0.57119  -0.35173  -0.76623
  81        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  82        3S          0.00000  -6.13964  10.63417  -4.37494  -4.36891
  83        3PX         3.07873  -6.55573   8.68035  -1.79162  -0.72864
  84        3PY         5.33253   1.11045  -6.55573   1.03439   4.11189
  85        3PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  86 12  H  1S          0.00000  -1.01280   1.75421   0.79644  -0.08054
  87        2S          0.00000  -4.20051   7.27550  -1.38839  -2.24045
                          86        87
                        (E')--V  (A1')--V
     EIGENVALUES --     4.10364   5.33210
   1 1   C  1S          0.00000   0.41219
   2        2S          0.00000   3.66475
   3        2PX         0.37798   0.00000
   4        2PY         0.00000  -0.74933
   5        2PZ         0.00000   0.00000
   6        3S          0.00000  18.56561
   7        3PX        -4.01959   0.00000
   8        3PY         0.00000  -4.74510
   9        3PZ         0.00000   0.00000
  10 2   F  1S          0.00000   0.00517
  11        2S          0.00000   0.36612
  12        2PX        -0.14460   0.00000
  13        2PY         0.00000   0.01571
  14        2PZ         0.00000   0.00000
  15        3S          0.00000  -2.40883
  16        3PX         0.38940   0.00000
  17        3PY         0.00000   1.41405
  18        3PZ         0.00000   0.00000
  19 3   C  1S         -0.02655  -0.22499
  20        2S         -0.22063  -2.05391
  21        2PX         0.24448   1.04994
  22        2PY        -0.45185   0.60618
  23        2PZ         0.00000   0.00000
  24        3S          7.56717 -13.57891
  25        3PX        -4.95325   6.04536
  26        3PY        -0.72864   3.49029
  27        3PZ         0.00000   0.00000
  28 4   H  1S          0.13951  -0.27242
  29        2S          3.88057  -4.23840
  30 5   C  1S         -0.36120   0.41219
  31        2S         -3.39277   3.66475
  32        2PX        -0.99914  -0.64894
  33        2PY         0.79508   0.37466
  34        2PZ         0.00000   0.00000
  35        3S          0.86435  18.56561
  36        3PX        -0.22349  -4.10938
  37        3PY        -2.19168   2.37255
  38        3PZ         0.00000   0.00000
  39 6   F  1S         -0.00434   0.00517
  40        2S          0.62354   0.36612
  41        2PX        -0.65077   0.01360
  42        2PY         0.29224  -0.00785
  43        2PZ         0.00000   0.00000
  44        3S          2.26462  -2.40883
  45        3PX        -0.86264   1.22460
  46        3PY         0.72286  -0.70702
  47        3PZ         0.00000   0.00000
  48 7   C  1S          0.00000  -0.22499
  49        2S          0.00000  -2.05391
  50        2PX         1.02711   0.00000
  51        2PY         0.00000  -1.21236
  52        2PZ         0.00000   0.00000
  53        3S          0.00000 -13.57891
  54        3PX        -3.69121   0.00000
  55        3PY         0.00000  -6.98058
  56        3PZ         0.00000   0.00000
  57 8   H  1S          0.00000  -0.27242
  58        2S          0.00000  -4.23840
  59 9   C  1S          0.36120   0.41219
  60        2S          3.39277   3.66475
  61        2PX        -0.99914   0.64894
  62        2PY        -0.79508   0.37466
  63        2PZ         0.00000   0.00000
  64        3S         -0.86435  18.56561
  65        3PX        -0.22349   4.10938
  66        3PY         2.19168   2.37255
  67        3PZ         0.00000   0.00000
  68 10  F  1S          0.00434   0.00517
  69        2S         -0.62354   0.36612
  70        2PX        -0.65077  -0.01360
  71        2PY        -0.29224  -0.00785
  72        2PZ         0.00000   0.00000
  73        3S         -2.26462  -2.40883
  74        3PX        -0.86264  -1.22460
  75        3PY        -0.72286  -0.70702
  76        3PZ         0.00000   0.00000
  77 11  C  1S          0.02655  -0.22499
  78        2S          0.22063  -2.05391
  79        2PX         0.24448  -1.04994
  80        2PY         0.45185   0.60618
  81        2PZ         0.00000   0.00000
  82        3S         -7.56717 -13.57891
  83        3PX        -4.95325  -6.04536
  84        3PY         0.72864   3.49029
  85        3PZ         0.00000   0.00000
  86 12  H  1S         -0.13951  -0.27242
  87        2S         -3.88057  -4.23840
      DENSITY MATRIX.
                           1         2         3         4         5
   1 1   C  1S          2.19763
   2        2S         -0.21166   0.44506
   3        2PX         0.00000   0.00000   1.19915
   4        2PY         0.02517   0.18356   0.00000   1.01041
   5        2PZ         0.00000   0.00000   0.00000   0.00000   0.47875
   6        3S         -0.70747   2.30524   0.00000   2.68487   0.00000
   7        3PX         0.00000   0.00000   1.09641   0.00000   0.00000
   8        3PY         0.20922  -0.69801   0.00000  -1.04704   0.00000
   9        3PZ         0.00000   0.00000   0.00000   0.00000   0.00897
  10 2   F  1S          0.03796  -0.08564   0.00000  -0.17764   0.00000
  11        2S         -0.09667   0.15907   0.00000   0.33563   0.00000
  12        2PX         0.00000   0.00000   0.00312   0.00000   0.00000
  13        2PY         0.18015  -0.44731   0.00000  -0.72572   0.00000
  14        2PZ         0.00000   0.00000   0.00000   0.00000   0.29871
  15        3S          0.04965  -0.33515   0.00000  -0.51137   0.00000
  16        3PX         0.00000   0.00000  -0.47015   0.00000   0.00000
  17        3PY         0.02168   0.04430   0.00000   0.17321   0.00000
  18        3PZ         0.00000   0.00000   0.00000   0.00000   0.02895
  19 3   C  1S          0.03904  -0.07286  -0.21271   0.10362   0.00000
  20        2S         -0.06375   0.10993   0.13363  -0.02897   0.00000
  21        2PX         0.16614  -0.17597  -0.53054   0.24576   0.00000
  22        2PY        -0.09512   0.08046   0.32204  -0.18575   0.00000
  23        2PZ         0.00000   0.00000   0.00000   0.00000   0.24936
  24        3S          0.40010  -1.64229  -0.90392  -2.60014   0.00000
  25        3PX        -0.18879   0.58585   1.06310   0.53730   0.00000
  26        3PY        -0.10150   0.37164  -0.09623   0.61192   0.00000
  27        3PZ         0.00000   0.00000   0.00000   0.00000   0.09410
  28 4   H  1S          0.01966  -0.01668  -0.06442  -0.02902   0.00000
  29        2S          0.15107  -0.37093  -0.96024  -0.22715   0.00000
  30 5   C  1S         -0.01129   0.00910   0.01555  -0.02721   0.00000
  31        2S          0.00910  -0.00356   0.07150   0.04894   0.00000
  32        2PX        -0.01579   0.07813   0.05348  -0.07367   0.00000
  33        2PY         0.02707   0.03745   0.01998   0.08448   0.00000
  34        2PZ         0.00000   0.00000   0.00000   0.00000  -0.00107
  35        3S         -0.39541   1.29573   1.26989   1.69217   0.00000
  36        3PX         0.09833  -0.22432  -0.58240  -0.08304   0.00000
  37        3PY        -0.04298   0.21915  -0.30048   0.42195   0.00000
  38        3PZ         0.00000   0.00000   0.00000   0.00000   0.04274
  39 6   F  1S          0.00681  -0.00439  -0.01864   0.01401   0.00000
  40        2S         -0.02072   0.01598   0.05188  -0.03123   0.00000
  41        2PX         0.00948  -0.00597  -0.01303   0.01849   0.00000
  42        2PY        -0.01879   0.05613   0.08343  -0.04764   0.00000
  43        2PZ         0.00000   0.00000   0.00000   0.00000  -0.04284
  44        3S         -0.00875  -0.02861   0.00420  -0.02677   0.00000
  45        3PX        -0.01450   0.01719   0.03417  -0.02531   0.00000
  46        3PY        -0.01552   0.00733   0.04376  -0.04320   0.00000
  47        3PZ         0.00000   0.00000   0.00000   0.00000  -0.03424
  48 7   C  1S         -0.00866   0.04496   0.00000  -0.03649   0.00000
  49        2S          0.03299  -0.02794   0.00000   0.05041   0.00000
  50        2PX         0.00000   0.00000  -0.12939   0.00000   0.00000
  51        2PY         0.03645  -0.08172   0.00000   0.09690   0.00000
  52        2PZ         0.00000   0.00000   0.00000   0.00000  -0.14424
  53        3S          0.38786  -0.92329   0.00000  -0.44234   0.00000
  54        3PX         0.00000   0.00000  -0.74873   0.00000   0.00000
  55        3PY         0.08458  -0.13918   0.00000  -0.14152   0.00000
  56        3PZ         0.00000   0.00000   0.00000   0.00000  -0.17425
  57 8   H  1S         -0.01452   0.03250   0.00000  -0.02141   0.00000
  58        2S         -0.00780   0.12176   0.00000   0.02749   0.00000
  59 9   C  1S         -0.01129   0.00910  -0.01555  -0.02721   0.00000
  60        2S          0.00910  -0.00356  -0.07150   0.04894   0.00000
  61        2PX         0.01579  -0.07813   0.05348   0.07367   0.00000
  62        2PY         0.02707   0.03745  -0.01998   0.08448   0.00000
  63        2PZ         0.00000   0.00000   0.00000   0.00000  -0.00107
  64        3S         -0.39541   1.29573  -1.26989   1.69217   0.00000
  65        3PX        -0.09833   0.22432  -0.58240   0.08304   0.00000
  66        3PY        -0.04298   0.21915   0.30048   0.42195   0.00000
  67        3PZ         0.00000   0.00000   0.00000   0.00000   0.04274
  68 10  F  1S          0.00681  -0.00439   0.01864   0.01401   0.00000
  69        2S         -0.02072   0.01598  -0.05188  -0.03123   0.00000
  70        2PX        -0.00948   0.00597  -0.01303  -0.01849   0.00000
  71        2PY        -0.01879   0.05613  -0.08343  -0.04764   0.00000
  72        2PZ         0.00000   0.00000   0.00000   0.00000  -0.04284
  73        3S         -0.00875  -0.02861  -0.00420  -0.02677   0.00000
  74        3PX         0.01450  -0.01719   0.03417   0.02531   0.00000
  75        3PY        -0.01552   0.00733  -0.04376  -0.04320   0.00000
  76        3PZ         0.00000   0.00000   0.00000   0.00000  -0.03424
  77 11  C  1S          0.03904  -0.07286   0.21271   0.10362   0.00000
  78        2S         -0.06375   0.10993  -0.13363  -0.02897   0.00000
  79        2PX        -0.16614   0.17597  -0.53054  -0.24576   0.00000
  80        2PY        -0.09512   0.08046  -0.32204  -0.18575   0.00000
  81        2PZ         0.00000   0.00000   0.00000   0.00000   0.24936
  82        3S          0.40010  -1.64229   0.90392  -2.60014   0.00000
  83        3PX         0.18879  -0.58585   1.06310  -0.53730   0.00000
  84        3PY        -0.10150   0.37164   0.09623   0.61192   0.00000
  85        3PZ         0.00000   0.00000   0.00000   0.00000   0.09410
  86 12  H  1S          0.01966  -0.01668   0.06442  -0.02902   0.00000
  87        2S          0.15107  -0.37093   0.96024  -0.22715   0.00000
                           6         7         8         9        10
   6        3S         30.30948
   7        3PX         0.00000   1.90564
   8        3PY        -8.34354   0.00000   2.47386
   9        3PZ         0.00000   0.00000   0.00000   0.05663
  10 2   F  1S         -0.07814   0.00000   0.06929   0.00000   2.11143
  11        2S          0.52040   0.00000  -0.21836   0.00000  -0.21334
  12        2PX         0.00000   0.03198   0.00000   0.00000   0.00000
  13        2PY        -3.86179   0.00000   1.30907   0.00000   0.02264
  14        2PZ         0.00000   0.00000   0.00000  -0.12775   0.00000
  15        3S         -3.56863   0.00000   1.16602   0.00000  -0.16455
  16        3PX         0.00000  -0.45508   0.00000   0.00000   0.00000
  17        3PY         0.29836   0.00000  -0.12228   0.00000  -0.08168
  18        3PZ         0.00000   0.00000   0.00000  -0.10055   0.00000
  19 3   C  1S          0.11250  -0.03583  -0.02418   0.00000  -0.00850
  20        2S          0.58334   0.07171  -0.15920   0.00000   0.00207
  21        2PX        -0.33969  -0.29113   0.00350   0.00000   0.00173
  22        2PY        -0.79107   0.71371   0.25713   0.00000   0.04112
  23        2PZ         0.00000   0.00000   0.00000   0.08386   0.00000
  24        3S        -23.95095  -1.20137   6.74036   0.00000   0.16705
  25        3PX         7.96468   1.06925  -2.11618   0.00000  -0.01132
  26        3PY         4.37636  -1.03659  -1.34415   0.00000  -0.05602
  27        3PZ         0.00000   0.00000   0.00000  -0.01016   0.00000
  28 4   H  1S         -0.45019   0.10344   0.09787   0.00000   0.01674
  29        2S         -4.32799  -0.20734   1.16298   0.00000   0.01206
  30 5   C  1S         -0.39541   0.01195   0.10664   0.00000   0.00681
  31        2S          1.29573   0.07763  -0.30384   0.00000  -0.00439
  32        2PX         2.10041   0.00480  -0.42206   0.00000   0.00282
  33        2PY         0.25367  -0.63950  -0.16525   0.00000  -0.02315
  34        2PZ         0.00000   0.00000   0.00000   0.04274   0.00000
  35        3S         22.55184   0.59660  -5.84845   0.00000  -0.10747
  36        3PX        -4.76661  -0.91630   1.06351   0.00000  -0.00892
  37        3PY         3.44089  -0.89668  -1.01262   0.00000  -0.04429
  38        3PZ         0.00000   0.00000   0.00000   0.05419   0.00000
  39 6   F  1S         -0.10747  -0.04281   0.01442   0.00000  -0.00059
  40        2S          0.34115   0.09251  -0.05721   0.00000  -0.00015
  41        2PX        -1.73823  -0.17466   0.34630   0.00000   0.00030
  42        2PY         1.39577   0.17603  -0.29410   0.00000   0.00317
  43        2PZ         0.00000   0.00000   0.00000  -0.09700   0.00000
  44        3S         -2.22222  -0.17109   0.47608   0.00000  -0.00336
  45        3PX         0.14221   0.19026  -0.00963   0.00000   0.00511
  46        3PY        -0.32324   0.23042   0.09270   0.00000   0.00853
  47        3PZ         0.00000   0.00000   0.00000  -0.09141   0.00000
  48 7   C  1S          0.42134   0.00000  -0.09452   0.00000   0.00065
  49        2S          0.44433   0.00000  -0.09752   0.00000  -0.00092
  50        2PX         0.00000   0.31793   0.00000   0.00000   0.00000
  51        2PY        -1.03904   0.00000   0.13901   0.00000  -0.00279
  52        2PZ         0.00000   0.00000   0.00000   0.10492   0.00000
  53        3S        -18.70977   0.00000   4.20045   0.00000  -0.00777
  54        3PX         0.00000  -1.08657   0.00000   0.00000   0.00000
  55        3PY        -4.42485   0.00000   1.00746   0.00000  -0.00721
  56        3PZ         0.00000   0.00000   0.00000   0.00323   0.00000
  57 8   H  1S          0.51824   0.00000  -0.07068   0.00000  -0.00200
  58        2S          0.51726   0.00000  -0.12883   0.00000  -0.02617
  59 9   C  1S         -0.39541  -0.01195   0.10664   0.00000   0.00681
  60        2S          1.29573  -0.07763  -0.30384   0.00000  -0.00439
  61        2PX        -2.10041   0.00480   0.42206   0.00000  -0.00282
  62        2PY         0.25367   0.63950  -0.16525   0.00000  -0.02315
  63        2PZ         0.00000   0.00000   0.00000   0.04274   0.00000
  64        3S         22.55184  -0.59660  -5.84845   0.00000  -0.10747
  65        3PX         4.76661  -0.91630  -1.06351   0.00000   0.00892
  66        3PY         3.44089   0.89668  -1.01262   0.00000  -0.04429
  67        3PZ         0.00000   0.00000   0.00000   0.05419   0.00000
  68 10  F  1S         -0.10747   0.04281   0.01442   0.00000  -0.00059
  69        2S          0.34115  -0.09251  -0.05721   0.00000  -0.00015
  70        2PX         1.73823  -0.17466  -0.34630   0.00000  -0.00030
  71        2PY         1.39577  -0.17603  -0.29410   0.00000   0.00317
  72        2PZ         0.00000   0.00000   0.00000  -0.09700   0.00000
  73        3S         -2.22222   0.17109   0.47608   0.00000  -0.00336
  74        3PX        -0.14221   0.19026   0.00963   0.00000  -0.00511
  75        3PY        -0.32324  -0.23042   0.09270   0.00000   0.00853
  76        3PZ         0.00000   0.00000   0.00000  -0.09141   0.00000
  77 11  C  1S          0.11250   0.03583  -0.02418   0.00000  -0.00850
  78        2S          0.58334  -0.07171  -0.15920   0.00000   0.00207
  79        2PX         0.33969  -0.29113  -0.00350   0.00000  -0.00173
  80        2PY        -0.79107  -0.71371   0.25713   0.00000   0.04112
  81        2PZ         0.00000   0.00000   0.00000   0.08386   0.00000
  82        3S        -23.95095   1.20137   6.74036   0.00000   0.16705
  83        3PX        -7.96468   1.06925   2.11618   0.00000   0.01132
  84        3PY         4.37636   1.03659  -1.34415   0.00000  -0.05602
  85        3PZ         0.00000   0.00000   0.00000  -0.01016   0.00000
  86 12  H  1S         -0.45019  -0.10344   0.09787   0.00000   0.01674
  87        2S         -4.32799   0.20734   1.16298   0.00000   0.01206
                          11        12        13        14        15
  11        2S          0.55900
  12        2PX         0.00000   1.11127
  13        2PY        -0.05792   0.00000   0.95009
  14        2PZ         0.00000   0.00000   0.00000   0.91577
  15        3S          0.30097   0.00000   0.88507   0.00000   1.07187
  16        3PX         0.00000   0.76326   0.00000   0.00000   0.00000
  17        3PY         0.18711   0.00000  -0.04826   0.00000   0.06346
  18        3PZ         0.00000   0.00000   0.00000   0.54598   0.00000
  19 3   C  1S          0.02354   0.03468  -0.01335   0.00000  -0.01436
  20        2S         -0.00452  -0.22665  -0.06560   0.00000  -0.07395
  21        2PX        -0.02539   0.17288   0.01859   0.00000  -0.04056
  22        2PY        -0.10712  -0.19903   0.05555   0.00000  -0.06767
  23        2PZ         0.00000   0.00000   0.00000  -0.22909   0.00000
  24        3S         -0.53468  -0.85780   3.05001   0.00000   2.87216
  25        3PX         0.12082   0.09799  -0.90994   0.00000  -0.81943
  26        3PY         0.15596   0.01669  -0.70697   0.00000  -0.60990
  27        3PZ         0.00000   0.00000   0.00000  -0.08967   0.00000
  28 4   H  1S         -0.05714  -0.06617   0.05402   0.00000  -0.01628
  29        2S         -0.10865   0.16426   0.54242   0.00000   0.39071
  30 5   C  1S         -0.02072  -0.01153   0.01760   0.00000  -0.00875
  31        2S          0.01598   0.04563  -0.03323   0.00000  -0.02861
  32        2PX        -0.00111   0.00514   0.00800   0.00000  -0.02108
  33        2PY         0.06054   0.07294  -0.06581   0.00000   0.01703
  34        2PZ         0.00000   0.00000   0.00000  -0.04284   0.00000
  35        3S          0.34115   0.33966  -2.20324   0.00000  -2.22222
  36        3PX        -0.00329  -0.03807   0.26744   0.00000   0.32675
  37        3PY         0.10872   0.09717  -0.43070   0.00000  -0.38621
  38        3PZ         0.00000   0.00000   0.00000  -0.09700   0.00000
  39 6   F  1S         -0.00015   0.00290  -0.00132   0.00000  -0.00336
  40        2S          0.00404  -0.01463  -0.00086   0.00000   0.00576
  41        2PX        -0.00806   0.00587   0.00137   0.00000   0.01320
  42        2PY        -0.01224  -0.01258   0.01234   0.00000  -0.03117
  43        2PZ         0.00000   0.00000   0.00000   0.04249   0.00000
  44        3S          0.00576  -0.02040   0.02702   0.00000   0.07510
  45        3PX        -0.01521  -0.00981   0.00644   0.00000  -0.01970
  46        3PY        -0.02616  -0.02043   0.02818   0.00000  -0.00649
  47        3PZ         0.00000   0.00000   0.00000   0.06095   0.00000
  48 7   C  1S          0.00063   0.00000   0.00406   0.00000  -0.00473
  49        2S         -0.00353   0.00000  -0.00231   0.00000  -0.02033
  50        2PX         0.00000   0.02915   0.00000   0.00000   0.00000
  51        2PY         0.00315   0.00000  -0.01629   0.00000  -0.00463
  52        2PZ         0.00000   0.00000   0.00000   0.11307   0.00000
  53        3S         -0.06327   0.00000   1.14000   0.00000   1.33677
  54        3PX         0.00000   0.04817   0.00000   0.00000   0.00000
  55        3PY         0.02573   0.00000   0.22963   0.00000   0.35923
  56        3PZ         0.00000   0.00000   0.00000   0.23494   0.00000
  57 8   H  1S          0.00575   0.00000  -0.00528   0.00000  -0.00196
  58        2S          0.08595   0.00000  -0.09346   0.00000   0.03136
  59 9   C  1S         -0.02072   0.01153   0.01760   0.00000  -0.00875
  60        2S          0.01598  -0.04563  -0.03323   0.00000  -0.02861
  61        2PX         0.00111   0.00514  -0.00800   0.00000   0.02108
  62        2PY         0.06054  -0.07294  -0.06581   0.00000   0.01703
  63        2PZ         0.00000   0.00000   0.00000  -0.04284   0.00000
  64        3S          0.34115  -0.33966  -2.20324   0.00000  -2.22222
  65        3PX         0.00329  -0.03807  -0.26744   0.00000  -0.32675
  66        3PY         0.10872  -0.09717  -0.43070   0.00000  -0.38621
  67        3PZ         0.00000   0.00000   0.00000  -0.09700   0.00000
  68 10  F  1S         -0.00015  -0.00290  -0.00132   0.00000  -0.00336
  69        2S          0.00404   0.01463  -0.00086   0.00000   0.00576
  70        2PX         0.00806   0.00587  -0.00137   0.00000  -0.01320
  71        2PY        -0.01224   0.01258   0.01234   0.00000  -0.03117
  72        2PZ         0.00000   0.00000   0.00000   0.04249   0.00000
  73        3S          0.00576   0.02040   0.02702   0.00000   0.07510
  74        3PX         0.01521  -0.00981  -0.00644   0.00000   0.01970
  75        3PY        -0.02616   0.02043   0.02818   0.00000  -0.00649
  76        3PZ         0.00000   0.00000   0.00000   0.06095   0.00000
  77 11  C  1S          0.02354  -0.03468  -0.01335   0.00000  -0.01436
  78        2S         -0.00452   0.22665  -0.06560   0.00000  -0.07395
  79        2PX         0.02539   0.17288  -0.01859   0.00000   0.04056
  80        2PY        -0.10712   0.19903   0.05555   0.00000  -0.06767
  81        2PZ         0.00000   0.00000   0.00000  -0.22909   0.00000
  82        3S         -0.53468   0.85780   3.05001   0.00000   2.87216
  83        3PX        -0.12082   0.09799   0.90994   0.00000   0.81943
  84        3PY         0.15596  -0.01669  -0.70697   0.00000  -0.60990
  85        3PZ         0.00000   0.00000   0.00000  -0.08967   0.00000
  86 12  H  1S         -0.05714   0.06617   0.05402   0.00000  -0.01628
  87        2S         -0.10865  -0.16426   0.54242   0.00000   0.39071
                          16        17        18        19        20
  16        3PX         0.71349
  17        3PY         0.00000   0.07140
  18        3PZ         0.00000   0.00000   0.38451
  19 3   C  1S          0.09980   0.02118   0.00000   2.18526
  20        2S         -0.20596  -0.00512   0.00000  -0.12810   0.28244
  21        2PX         0.31234   0.03402   0.00000   0.03302  -0.00645
  22        2PY        -0.29253  -0.02731   0.00000   0.01906  -0.00372
  23        2PZ         0.00000   0.00000  -0.26446   0.00000   0.00000
  24        3S         -0.22649  -0.37385   0.00000  -0.32779  -0.32998
  25        3PX        -0.34369   0.05133   0.00000  -0.11368   0.23755
  26        3PY         0.10340   0.08461   0.00000  -0.06563   0.13715
  27        3PZ         0.00000   0.00000  -0.09617   0.00000   0.00000
  28 4   H  1S         -0.03410  -0.00502   0.00000  -0.11400   0.16113
  29        2S          0.44339  -0.00429   0.00000   0.21652  -0.21898
  30 5   C  1S         -0.02070  -0.00480   0.00000   0.03904  -0.06375
  31        2S          0.01495   0.01122   0.00000  -0.07286   0.10993
  32        2PX        -0.01586   0.00358   0.00000  -0.01662   0.04173
  33        2PY         0.07265   0.00684   0.00000  -0.23603   0.13021
  34        2PZ         0.00000   0.00000  -0.03424   0.00000   0.00000
  35        3S         -0.20883   0.28478   0.00000   0.11250   0.58334
  36        3PX         0.21269  -0.02259   0.00000  -0.03885  -0.10202
  37        3PY         0.21747   0.07026   0.00000  -0.01894   0.14170
  38        3PZ         0.00000   0.00000  -0.09141   0.00000   0.00000
  39 6   F  1S          0.00995   0.00016   0.00000  -0.00850   0.00207
  40        2S         -0.03026  -0.00010   0.00000   0.02354  -0.00452
  41        2PX         0.01263  -0.00651   0.00000   0.00578  -0.17014
  42        2PY        -0.03338   0.00574   0.00000   0.03671  -0.16348
  43        2PZ         0.00000   0.00000   0.06095   0.00000   0.00000
  44        3S         -0.01547  -0.01381   0.00000  -0.01436  -0.07395
  45        3PX        -0.02423   0.00015   0.00000   0.06825  -0.10742
  46        3PY        -0.03429  -0.00452   0.00000   0.07584  -0.17581
  47        3PZ         0.00000   0.00000   0.06889   0.00000   0.00000
  48 7   C  1S          0.00000   0.00181   0.00000  -0.01841   0.01902
  49        2S          0.00000   0.00783   0.00000   0.01902  -0.03620
  50        2PX         0.06658   0.00000   0.00000   0.03833  -0.02515
  51        2PY         0.00000   0.01426   0.00000   0.03240  -0.05730
  52        2PZ         0.00000   0.00000   0.11830   0.00000   0.00000
  53        3S          0.00000  -0.10697   0.00000  -0.18835  -0.54501
  54        3PX         0.34398   0.00000   0.00000   0.03115  -0.00140
  55        3PY         0.00000  -0.04576   0.00000  -0.13361  -0.09745
  56        3PZ         0.00000   0.00000   0.22856   0.00000   0.00000
  57 8   H  1S          0.00000  -0.00641   0.00000  -0.01715   0.01268
  58        2S          0.00000  -0.01132   0.00000  -0.13654   0.08628
  59 9   C  1S          0.02070  -0.00480   0.00000  -0.00866   0.03299
  60        2S         -0.01495   0.01122   0.00000   0.04496  -0.02794
  61        2PX        -0.01586  -0.00358   0.00000   0.03160  -0.04366
  62        2PY        -0.07265   0.00684   0.00000   0.01825  -0.02521
  63        2PZ         0.00000   0.00000  -0.03424   0.00000   0.00000
  64        3S          0.20883   0.28478   0.00000   0.42134   0.44433
  65        3PX         0.21269   0.02259   0.00000   0.08186   0.08445
  66        3PY        -0.21747   0.07026   0.00000   0.04726   0.04876
  67        3PZ         0.00000   0.00000  -0.09141   0.00000   0.00000
  68 10  F  1S         -0.00995   0.00016   0.00000   0.00065  -0.00092
  69        2S          0.03026  -0.00010   0.00000   0.00063  -0.00353
  70        2PX         0.01263   0.00651   0.00000  -0.00352   0.00200
  71        2PY         0.03338   0.00574   0.00000  -0.00203   0.00116
  72        2PZ         0.00000   0.00000   0.06095   0.00000   0.00000
  73        3S          0.01547  -0.01381   0.00000  -0.00473  -0.02033
  74        3PX        -0.02423  -0.00015   0.00000  -0.00157  -0.00678
  75        3PY         0.03429  -0.00452   0.00000  -0.00091  -0.00391
  76        3PZ         0.00000   0.00000   0.06889   0.00000   0.00000
  77 11  C  1S         -0.09980   0.02118   0.00000  -0.01841   0.01902
  78        2S          0.20596  -0.00512   0.00000   0.01902  -0.03620
  79        2PX         0.31234  -0.03402   0.00000   0.04723  -0.06220
  80        2PY         0.29253  -0.02731   0.00000   0.01700   0.00687
  81        2PZ         0.00000   0.00000  -0.26446   0.00000   0.00000
  82        3S          0.22649  -0.37385   0.00000  -0.18835  -0.54501
  83        3PX        -0.34369  -0.05133   0.00000  -0.10013  -0.08509
  84        3PY        -0.10340   0.08461   0.00000   0.09378   0.04751
  85        3PZ         0.00000   0.00000  -0.09617   0.00000   0.00000
  86 12  H  1S          0.03410  -0.00502   0.00000  -0.01715   0.01268
  87        2S         -0.44339  -0.00429   0.00000  -0.13654   0.08628
                          21        22        23        24        25
  21        2PX         0.83663
  22        2PY        -0.07591   0.92428
  23        2PZ         0.00000   0.00000   0.80621
  24        3S         -0.21322  -0.12310   0.00000  25.53024
  25        3PX        -0.77499  -0.11547   0.00000  -7.46880   3.53895
  26        3PY        -0.11547  -0.64166   0.00000  -4.31211   1.19808
  27        3PZ         0.00000   0.00000   0.48055   0.00000   0.00000
  28 4   H  1S          0.37649   0.21737   0.00000   0.03635  -0.38362
  29        2S          1.13312   0.65421   0.00000   3.28036  -2.58095
  30 5   C  1S          0.00070   0.19144   0.00000   0.40010  -0.18229
  31        2S         -0.01831  -0.19263   0.00000  -1.64229   0.61477
  32        2PX        -0.02608  -0.04549   0.00000  -2.70374   0.91570
  33        2PY         0.03080  -0.69020   0.00000   0.51725  -0.01113
  34        2PZ         0.00000   0.00000   0.24936   0.00000   0.00000
  35        3S         -0.85493   0.10136   0.00000 -23.95095   7.77238
  36        3PX         0.43063  -0.41321   0.00000   5.23664  -2.10599
  37        3PY         0.29700  -0.46463   0.00000  -4.41060   0.79664
  38        3PZ         0.00000   0.00000   0.08386   0.00000   0.00000
  39 6   F  1S          0.03648  -0.01906   0.00000   0.16705  -0.05418
  40        2S         -0.10547   0.03157   0.00000  -0.53468   0.19547
  41        2PX         0.00675   0.11450   0.00000   2.21248  -0.89252
  42        2PY        -0.10311   0.22168   0.00000  -2.26788   0.58855
  43        2PZ         0.00000   0.00000  -0.22909   0.00000   0.00000
  44        3S         -0.07888  -0.00130   0.00000   2.87216  -0.93790
  45        3PX        -0.05433   0.24572   0.00000  -0.43700   0.04453
  46        3PY        -0.08083   0.33936   0.00000  -0.00922  -0.12074
  47        3PZ         0.00000   0.00000  -0.26446   0.00000   0.00000
  48 7   C  1S         -0.00889  -0.04940   0.00000  -0.18835   0.13128
  49        2S          0.03705   0.05043   0.00000  -0.54501   0.08369
  50        2PX         0.05704   0.02587   0.00000   0.59943  -0.11736
  51        2PY         0.03562   0.09254   0.00000  -0.04649  -0.34738
  52        2PZ         0.00000   0.00000  -0.13129   0.00000   0.00000
  53        3S          0.33997  -0.49588   0.00000  16.86871  -5.12084
  54        3PX         0.50008  -0.31630   0.00000  -0.62191  -0.63327
  55        3PY         0.00910  -0.50053   0.00000   5.55398  -1.09218
  56        3PZ         0.00000   0.00000  -0.24882   0.00000   0.00000
  57 8   H  1S         -0.01807  -0.04299   0.00000   0.06077   0.16746
  58        2S         -0.02015  -0.57754   0.00000   1.69547   0.29192
  59 9   C  1S         -0.03157  -0.01822   0.00000   0.38786  -0.07325
  60        2S          0.07077   0.04086   0.00000  -0.92329   0.12053
  61        2PX         0.04033   0.09799   0.00000   0.38308  -0.29332
  62        2PY         0.09799  -0.07282   0.00000   0.22117   0.26293
  63        2PZ         0.00000   0.00000  -0.14424   0.00000   0.00000
  64        3S          0.89983   0.51952   0.00000 -18.70977   3.83203
  65        3PX         0.18374  -0.07747   0.00000  -3.63770   0.48395
  66        3PY        -0.07747   0.27320   0.00000  -2.10023   0.90674
  67        3PZ         0.00000   0.00000   0.10492   0.00000   0.00000
  68 10  F  1S          0.00241   0.00139   0.00000  -0.00777   0.00624
  69        2S         -0.00273  -0.00157   0.00000  -0.06327  -0.02228
  70        2PX        -0.00493  -0.01968   0.00000  -0.98727   0.18427
  71        2PY        -0.01968   0.01779   0.00000  -0.57000   0.07857
  72        2PZ         0.00000   0.00000   0.11307   0.00000   0.00000
  73        3S          0.00401   0.00231   0.00000   1.33677  -0.31110
  74        3PX         0.02734  -0.02265   0.00000   0.09264   0.05167
  75        3PY        -0.02265   0.05350   0.00000   0.05348  -0.16876
  76        3PZ         0.00000   0.00000   0.11830   0.00000   0.00000
  77 11  C  1S         -0.04723   0.01700   0.00000  -0.18835   0.10013
  78        2S          0.06220   0.00687   0.00000  -0.54501   0.08509
  79        2PX         0.11029   0.00488   0.00000   0.25946  -0.38341
  80        2PY        -0.00488   0.03929   0.00000   0.54236  -0.51918
  81        2PZ         0.00000   0.00000  -0.13129   0.00000   0.00000
  82        3S         -0.25946   0.54236   0.00000  16.86871  -4.49893
  83        3PX        -0.38341   0.51918   0.00000   4.49893  -0.83807
  84        3PY         0.19377   0.38295   0.00000  -3.31558   0.97394
  85        3PZ         0.00000   0.00000  -0.24882   0.00000   0.00000
  86 12  H  1S         -0.04627   0.00585   0.00000   0.06077   0.01820
  87        2S         -0.51024   0.27132   0.00000   1.69547  -0.07063
                          26        27        28        29        30
  26        3PY         2.15552
  27        3PZ         0.00000   0.38237
  28 4   H  1S         -0.22149   0.00000   0.35770
  29        2S         -1.49011   0.00000   0.66486   3.12941
  30 5   C  1S         -0.11274   0.00000   0.01966   0.15107   2.19763
  31        2S          0.32154   0.00000  -0.01668  -0.37093  -0.21166
  32        2PX         0.62240   0.00000  -0.05735  -0.67684   0.02179
  33        2PY         0.75932   0.00000  -0.04128  -0.71802  -0.01258
  34        2PZ         0.00000   0.09410   0.00000   0.00000   0.00000
  35        3S          4.70944   0.00000  -0.45019  -4.32799  -0.70747
  36        3PX        -0.28295   0.00000   0.13648   0.90350   0.18119
  37        3PY         1.83109   0.00000   0.04065  -0.76105  -0.10461
  38        3PZ         0.00000  -0.01016   0.00000   0.00000   0.00000
  39 6   F  1S          0.01820   0.00000   0.01674   0.01206   0.03796
  40        2S          0.02666   0.00000  -0.05714  -0.10865  -0.09667
  41        2PX        -0.33807   0.00000   0.01370   0.55188   0.15601
  42        2PY         0.28354   0.00000  -0.08432  -0.12895  -0.09008
  43        2PZ         0.00000  -0.08967   0.00000   0.00000   0.00000
  44        3S         -0.40469   0.00000  -0.01628   0.39071   0.04965
  45        3PX        -0.17281   0.00000  -0.02140   0.21797   0.01877
  46        3PY        -0.30361   0.00000  -0.02702   0.38613  -0.01084
  47        3PZ         0.00000  -0.09617   0.00000   0.00000   0.00000
  48 7   C  1S          0.03983   0.00000  -0.01715  -0.13654   0.03904
  49        2S          0.04993   0.00000   0.01268   0.08628  -0.06375
  50        2PX        -0.67278   0.00000   0.02820   0.49009  -0.16545
  51        2PY         0.11690   0.00000   0.03715   0.30622  -0.09633
  52        2PZ         0.00000  -0.24882   0.00000   0.00000   0.00000
  53        3S         -2.23840   0.00000   0.06077   1.69547   0.40010
  54        3PX         0.85569   0.00000   0.14926   0.36255   0.00649
  55        3PY        -0.76980   0.00000  -0.10719  -0.12777   0.21424
  56        3PZ         0.00000  -0.18963   0.00000   0.00000   0.00000
  57 8   H  1S         -0.07567   0.00000  -0.02157  -0.12414   0.01966
  58        2S         -0.25009   0.00000  -0.12414  -0.76083   0.15107
  59 9   C  1S         -0.04229   0.00000  -0.01452  -0.00780  -0.01129
  60        2S          0.06959   0.00000   0.03250   0.12176   0.00910
  61        2PX         0.26293   0.00000   0.01854  -0.02381   0.03134
  62        2PY        -0.59693   0.00000   0.01070  -0.01375   0.00014
  63        2PZ         0.00000  -0.17425   0.00000   0.00000   0.00000
  64        3S          2.21243   0.00000   0.51824   0.51726  -0.39541
  65        3PX         0.90674   0.00000   0.06121   0.11157  -0.08638
  66        3PY        -0.56306   0.00000   0.03534   0.06441  -0.06367
  67        3PZ         0.00000   0.00323   0.00000   0.00000   0.00000
  68 10  F  1S          0.00360   0.00000  -0.00200  -0.02617   0.00681
  69        2S         -0.01286   0.00000   0.00575   0.08595  -0.02072
  70        2PX         0.07857   0.00000   0.00457   0.08094  -0.02101
  71        2PY         0.09354   0.00000   0.00264   0.04673   0.00119
  72        2PZ         0.00000   0.23494   0.00000   0.00000   0.00000
  73        3S         -0.17962   0.00000  -0.00196   0.03136  -0.00875
  74        3PX        -0.16876   0.00000   0.00555   0.00980  -0.00619
  75        3PY         0.24655   0.00000   0.00321   0.00566   0.02032
  76        3PZ         0.00000   0.22856   0.00000   0.00000   0.00000
  77 11  C  1S          0.09378   0.00000  -0.01715  -0.13654  -0.00866
  78        2S          0.04751   0.00000   0.01268   0.08628   0.03299
  79        2PX        -0.19377   0.00000   0.04627   0.51024   0.03157
  80        2PY         0.38295   0.00000   0.00585   0.27132  -0.01822
  81        2PZ         0.00000  -0.24882   0.00000   0.00000   0.00000
  82        3S         -3.31558   0.00000   0.06077   1.69547   0.38786
  83        3PX        -0.97394   0.00000  -0.01820   0.07063   0.07325
  84        3PY        -0.56500   0.00000   0.18286   0.37786  -0.04229
  85        3PZ         0.00000  -0.18963   0.00000   0.00000   0.00000
  86 12  H  1S          0.18286   0.00000  -0.02157  -0.12414  -0.01452
  87        2S          0.37786   0.00000  -0.12414  -0.76083  -0.00780
                          31        32        33        34        35
  31        2S          0.44506
  32        2PX         0.15897   1.05760
  33        2PY        -0.09178   0.08173   1.15197
  34        2PZ         0.00000   0.00000   0.00000   0.47875
  35        3S          2.30524   2.32517  -1.34244   0.00000  30.30948
  36        3PX        -0.60450  -0.51118   0.92814   0.00000  -7.22572
  37        3PY         0.34901   0.92814   0.56055   0.00000   4.17177
  38        3PZ         0.00000   0.00000   0.00000   0.00897   0.00000
  39 6   F  1S         -0.08564  -0.15384   0.08882   0.00000  -0.07814
  40        2S          0.15907   0.29066  -0.16781   0.00000   0.52040
  41        2PX        -0.38739  -0.54351   0.31560   0.00000  -3.34440
  42        2PY         0.22366   0.31560  -0.17909   0.00000   1.93089
  43        2PZ         0.00000   0.00000   0.00000   0.29871   0.00000
  44        3S         -0.33515  -0.44286   0.25568   0.00000  -3.56863
  45        3PX         0.03837   0.01237  -0.27858   0.00000   0.25838
  46        3PY        -0.02215  -0.27858  -0.30931   0.00000  -0.14918
  47        3PZ         0.00000   0.00000   0.00000   0.02895   0.00000
  48 7   C  1S         -0.07286   0.19610   0.13240   0.00000   0.11250
  49        2S          0.10993  -0.09190  -0.10124   0.00000   0.58334
  50        2PX         0.15767  -0.51781  -0.32939   0.00000  -0.51524
  51        2PY         0.11217  -0.25310  -0.19847   0.00000   0.68971
  52        2PZ         0.00000   0.00000   0.00000   0.24936   0.00000
  53        3S         -1.64229  -1.79983   2.08288   0.00000 -23.95095
  54        3PX         0.02892   0.53373   0.40187   0.00000  -0.19230
  55        3PY        -0.69318  -0.23166   1.14130   0.00000  -9.08580
  56        3PZ         0.00000   0.00000   0.00000   0.09410   0.00000
  57 8   H  1S         -0.01668   0.00708   0.07030   0.00000  -0.45019
  58        2S         -0.37093   0.28340   0.94517   0.00000  -4.32799
  59 9   C  1S          0.00910  -0.03134   0.00014   0.00000  -0.39541
  60        2S         -0.00356   0.00663  -0.08639   0.00000   1.29573
  61        2PX        -0.00663   0.09997  -0.04683   0.00000  -0.83052
  62        2PY        -0.08639   0.04683   0.03798   0.00000  -1.94584
  63        2PZ         0.00000   0.00000   0.00000  -0.00107   0.00000
  64        3S          1.29573   0.83052  -1.94584   0.00000  22.55184
  65        3PX         0.30195   0.33693  -0.23030   0.00000   5.36320
  66        3PY         0.08469  -0.44774  -0.49738   0.00000   2.40756
  67        3PZ         0.00000   0.00000   0.00000   0.04274   0.00000
  68 10  F  1S         -0.00439   0.02146   0.00914   0.00000  -0.10747
  69        2S          0.01598  -0.05298  -0.02931   0.00000   0.34115
  70        2PX         0.05159  -0.08312  -0.04296   0.00000   2.07789
  71        2PY        -0.02290   0.02198   0.02245   0.00000   0.80747
  72        2PZ         0.00000   0.00000   0.00000  -0.04284   0.00000
  73        3S         -0.02861  -0.02529   0.00975   0.00000  -2.22222
  74        3PX        -0.00225  -0.03185  -0.00564   0.00000  -0.35104
  75        3PY        -0.01856   0.06342   0.02282   0.00000   0.03846
  76        3PZ         0.00000   0.00000   0.00000  -0.03424   0.00000
  77 11  C  1S          0.04496  -0.03160   0.01825   0.00000   0.42134
  78        2S         -0.02794   0.04366  -0.02521   0.00000   0.44433
  79        2PX        -0.07077   0.04033  -0.09799   0.00000  -0.89983
  80        2PY         0.04086  -0.09799  -0.07282   0.00000   0.51952
  81        2PZ         0.00000   0.00000   0.00000  -0.14424   0.00000
  82        3S         -0.92329  -0.38308   0.22117   0.00000 -18.70977
  83        3PX        -0.12053  -0.29332  -0.26293   0.00000  -3.83203
  84        3PY         0.06959  -0.26293  -0.59693   0.00000   2.21243
  85        3PZ         0.00000   0.00000   0.00000  -0.17425   0.00000
  86 12  H  1S          0.03250  -0.01854   0.01070   0.00000   0.51824
  87        2S          0.12176   0.02381  -0.01375   0.00000   0.51726
                          36        37        38        39        40
  36        3PX         2.33180
  37        3PY        -0.24604   2.04769
  38        3PZ         0.00000   0.00000   0.05663
  39 6   F  1S          0.06000  -0.03464   0.00000   2.11143
  40        2S         -0.18910   0.10918   0.00000  -0.21334   0.55900
  41        2PX         0.98980  -0.55300   0.00000   0.01960  -0.05016
  42        2PY        -0.55300   0.35126   0.00000  -0.01132   0.02896
  43        2PZ         0.00000   0.00000  -0.12775   0.00000   0.00000
  44        3S          1.00980  -0.58301   0.00000  -0.16455   0.30097
  45        3PX        -0.20548  -0.14411   0.00000  -0.07074   0.16205
  46        3PY        -0.14411  -0.37188   0.00000   0.04084  -0.09356
  47        3PZ         0.00000   0.00000  -0.10055   0.00000   0.00000
  48 7   C  1S         -0.00302   0.04312   0.00000  -0.00850   0.02354
  49        2S         -0.17373   0.01750   0.00000   0.00207  -0.00452
  50        2PX        -0.19049  -0.77181   0.00000   0.03474  -0.08007
  51        2PY        -0.06161   0.15649   0.00000  -0.02206   0.07555
  52        2PZ         0.00000   0.00000   0.08386   0.00000   0.00000
  53        3S          6.43801  -2.32976   0.00000   0.16705  -0.53468
  54        3PX         0.62438   1.29343   0.00000  -0.04285   0.07465
  55        3PY         2.37302  -0.89929   0.00000   0.03782  -0.18261
  56        3PZ         0.00000   0.00000  -0.01016   0.00000   0.00000
  57 8   H  1S          0.03304  -0.13852   0.00000   0.01674  -0.05714
  58        2S          1.11083  -0.40193   0.00000   0.01206  -0.10865
  59 9   C  1S          0.08638  -0.06367   0.00000   0.00681  -0.02072
  60        2S         -0.30195   0.08469   0.00000  -0.00439   0.01598
  61        2PX         0.33693   0.44774   0.00000  -0.02146   0.05298
  62        2PY         0.23030  -0.49738   0.00000   0.00914  -0.02931
  63        2PZ         0.00000   0.00000   0.04274   0.00000   0.00000
  64        3S         -5.36320   2.40756   0.00000  -0.10747   0.34115
  65        3PX        -1.06077   0.98010   0.00000  -0.03389   0.09580
  66        3PY        -0.98010  -0.86814   0.00000   0.02987  -0.05151
  67        3PZ         0.00000   0.00000   0.05419   0.00000   0.00000
  68 10  F  1S          0.03389   0.02987   0.00000  -0.00059  -0.00015
  69        2S         -0.09580  -0.05151   0.00000  -0.00015   0.00404
  70        2PX        -0.49042   0.00627   0.00000   0.00259  -0.00657
  71        2PY        -0.16400   0.02165   0.00000  -0.00185   0.01310
  72        2PZ         0.00000   0.00000  -0.09700   0.00000   0.00000
  73        3S          0.49784  -0.08987   0.00000  -0.00336   0.00576
  74        3PX         0.02149  -0.13298   0.00000   0.00483  -0.01505
  75        3PY         0.10707   0.26147   0.00000  -0.00870   0.02625
  76        3PZ         0.00000   0.00000  -0.09141   0.00000   0.00000
  77 11  C  1S         -0.08186   0.04726   0.00000   0.00065   0.00063
  78        2S         -0.08445   0.04876   0.00000  -0.00092  -0.00353
  79        2PX         0.18374   0.07747   0.00000  -0.00241   0.00273
  80        2PY         0.07747   0.27320   0.00000   0.00139  -0.00157
  81        2PZ         0.00000   0.00000   0.10492   0.00000   0.00000
  82        3S          3.63770  -2.10023   0.00000  -0.00777  -0.06327
  83        3PX         0.48395  -0.90674   0.00000  -0.00624   0.02228
  84        3PY        -0.90674  -0.56306   0.00000   0.00360  -0.01286
  85        3PZ         0.00000   0.00000   0.00323   0.00000   0.00000
  86 12  H  1S         -0.06121   0.03534   0.00000  -0.00200   0.00575
  87        2S         -0.11157   0.06441   0.00000  -0.02617   0.08595
                          41        42        43        44        45
  41        2PX         0.99038
  42        2PY         0.06979   1.07097
  43        2PZ         0.00000   0.00000   0.91577
  44        3S          0.76649  -0.44253   0.00000   1.07187
  45        3PX         0.15462   0.35140   0.00000   0.05496   0.23192
  46        3PY         0.35140   0.56038   0.00000  -0.03173   0.27803
  47        3PZ         0.00000   0.00000   0.54598   0.00000   0.00000
  48 7   C  1S         -0.02890  -0.02336   0.00000  -0.01436  -0.03156
  49        2S          0.05651   0.22909   0.00000  -0.07395   0.09855
  50        2PX         0.16301   0.20472   0.00000  -0.03832   0.16954
  51        2PY        -0.01289   0.06541   0.00000   0.06896   0.04842
  52        2PZ         0.00000   0.00000  -0.22909   0.00000   0.00000
  53        3S          3.07028  -0.78212   0.00000   2.87216  -0.21052
  54        3PX        -0.11894   0.10855   0.00000  -0.11848  -0.08946
  55        3PY         1.03518  -0.49004   0.00000   1.01459  -0.19810
  56        3PZ         0.00000   0.00000  -0.08967   0.00000   0.00000
  57 8   H  1S          0.07987   0.03029   0.00000  -0.01628   0.01270
  58        2S          0.38762  -0.41346   0.00000   0.39071  -0.22541
  59 9   C  1S          0.02101   0.00119   0.00000  -0.00875   0.00619
  60        2S         -0.05159  -0.02290   0.00000  -0.02861   0.00225
  61        2PX        -0.08312  -0.02198   0.00000   0.02529  -0.03185
  62        2PY         0.04296   0.02245   0.00000   0.00975   0.00564
  63        2PZ         0.00000   0.00000  -0.04284   0.00000   0.00000
  64        3S         -2.07789   0.80747   0.00000  -2.22222   0.35104
  65        3PX        -0.49042   0.16400   0.00000  -0.49784   0.02149
  66        3PY        -0.00627   0.02165   0.00000  -0.08987   0.13298
  67        3PZ         0.00000   0.00000  -0.09700   0.00000   0.00000
  68 10  F  1S         -0.00259  -0.00185   0.00000  -0.00336  -0.00483
  69        2S          0.00657   0.01310   0.00000   0.00576   0.01505
  70        2PX         0.01557   0.00697   0.00000  -0.03360   0.02473
  71        2PY        -0.00697   0.00263   0.00000   0.00416  -0.00048
  72        2PZ         0.00000   0.00000   0.04249   0.00000   0.00000
  73        3S          0.03360   0.00416   0.00000   0.07510  -0.00423
  74        3PX         0.02473   0.00048   0.00000   0.00423   0.00533
  75        3PY        -0.02639  -0.00637   0.00000   0.02030  -0.01722
  76        3PZ         0.00000   0.00000   0.06095   0.00000   0.00000
  77 11  C  1S          0.00352  -0.00203   0.00000  -0.00473   0.00157
  78        2S         -0.00200   0.00116   0.00000  -0.02033   0.00678
  79        2PX        -0.00493   0.01968   0.00000  -0.00401   0.02734
  80        2PY         0.01968   0.01779   0.00000   0.00231   0.02265
  81        2PZ         0.00000   0.00000   0.11307   0.00000   0.00000
  82        3S          0.98727  -0.57000   0.00000   1.33677  -0.09264
  83        3PX         0.18427  -0.07857   0.00000   0.31110   0.05167
  84        3PY        -0.07857   0.09354   0.00000  -0.17962   0.16876
  85        3PZ         0.00000   0.00000   0.23494   0.00000   0.00000
  86 12  H  1S         -0.00457   0.00264   0.00000  -0.00196  -0.00555
  87        2S         -0.08094   0.04673   0.00000   0.03136  -0.00980
                          46        47        48        49        50
  46        3PY         0.55296
  47        3PZ         0.00000   0.38451
  48 7   C  1S         -0.09702   0.00000   2.18526
  49        2S          0.18093   0.00000  -0.12810   0.28244
  50        2PX         0.37497   0.00000   0.00000   0.00000   0.96811
  51        2PY         0.11549   0.00000  -0.03813   0.00744   0.00000
  52        2PZ         0.00000  -0.26446   0.00000   0.00000   0.00000
  53        3S          0.38307   0.00000  -0.32779  -0.32998   0.00000
  54        3PX        -0.25017   0.00000   0.00000   0.00000  -0.57500
  55        3PY        -0.16962   0.00000   0.13126  -0.27430   0.00000
  56        3PZ         0.00000  -0.09617   0.00000   0.00000   0.00000
  57 8   H  1S          0.03204   0.00000  -0.11400   0.16113   0.00000
  58        2S         -0.38184   0.00000   0.21652  -0.21898   0.00000
  59 9   C  1S          0.02032   0.00000   0.03904  -0.06375   0.16545
  60        2S         -0.01856   0.00000  -0.07286   0.10993  -0.15767
  61        2PX        -0.06342   0.00000  -0.19610   0.09190  -0.51781
  62        2PY         0.02282   0.00000   0.13240  -0.10124   0.32939
  63        2PZ         0.00000  -0.03424   0.00000   0.00000   0.00000
  64        3S          0.03846   0.00000   0.11250   0.58334   0.51524
  65        3PX        -0.10707   0.00000   0.00302   0.17373  -0.19049
  66        3PY         0.26147   0.00000   0.04312   0.01750   0.77181
  67        3PZ         0.00000  -0.09141   0.00000   0.00000   0.00000
  68 10  F  1S         -0.00870   0.00000  -0.00850   0.00207  -0.03474
  69        2S          0.02625   0.00000   0.02354  -0.00452   0.08007
  70        2PX         0.02639   0.00000   0.02890  -0.05651   0.16301
  71        2PY        -0.00637   0.00000  -0.02336   0.22909  -0.20472
  72        2PZ         0.00000   0.06095   0.00000   0.00000   0.00000
  73        3S          0.02030   0.00000  -0.01436  -0.07395   0.03832
  74        3PX         0.01722   0.00000   0.03156  -0.09855   0.16954
  75        3PY        -0.03408   0.00000  -0.09702   0.18093  -0.37497
  76        3PZ         0.00000   0.06889   0.00000   0.00000   0.00000
  77 11  C  1S         -0.00091   0.00000  -0.01841   0.01902  -0.03833
  78        2S         -0.00391   0.00000   0.01902  -0.03620   0.02515
  79        2PX         0.02265   0.00000   0.00889  -0.03705   0.05704
  80        2PY         0.05350   0.00000  -0.04940   0.05043  -0.02587
  81        2PZ         0.00000   0.11830   0.00000   0.00000   0.00000
  82        3S          0.05348   0.00000  -0.18835  -0.54501  -0.59943
  83        3PX         0.16876   0.00000  -0.13128  -0.08369  -0.11736
  84        3PY         0.24655   0.00000   0.03983   0.04993   0.67278
  85        3PZ         0.00000   0.22856   0.00000   0.00000   0.00000
  86 12  H  1S          0.00321   0.00000  -0.01715   0.01268  -0.02820
  87        2S          0.00566   0.00000  -0.13654   0.08628  -0.49009
                          51        52        53        54        55
  51        2PY         0.79281
  52        2PZ         0.00000   0.80621
  53        3S          0.24620   0.00000  25.53024
  54        3PX         0.00000   0.00000   0.00000   1.46381
  55        3PY        -0.84166   0.00000   8.62423   0.00000   4.23066
  56        3PZ         0.00000   0.48055   0.00000   0.00000   0.00000
  57 8   H  1S         -0.43473   0.00000   0.03635   0.00000   0.44297
  58        2S         -1.30842   0.00000   3.28036   0.00000   2.98022
  59 9   C  1S         -0.09633   0.00000   0.40010  -0.00649   0.21424
  60        2S          0.11217   0.00000  -1.64229  -0.02892  -0.69318
  61        2PX         0.25310   0.00000   1.79983   0.53373   0.23166
  62        2PY        -0.19847   0.00000   2.08288  -0.40187   1.14130
  63        2PZ         0.00000   0.24936   0.00000   0.00000   0.00000
  64        3S          0.68971   0.00000 -23.95095   0.19230  -9.08580
  65        3PX         0.06161   0.00000  -6.43801   0.62438  -2.37302
  66        3PY         0.15649   0.00000  -2.32976  -1.29343  -0.89929
  67        3PZ         0.00000   0.08386   0.00000   0.00000   0.00000
  68 10  F  1S         -0.02206   0.00000   0.16705   0.04285   0.03782
  69        2S          0.07555   0.00000  -0.53468  -0.07465  -0.18261
  70        2PX         0.01289   0.00000  -3.07028  -0.11894  -1.03518
  71        2PY         0.06541   0.00000  -0.78212  -0.10855  -0.49004
  72        2PZ         0.00000  -0.22909   0.00000   0.00000   0.00000
  73        3S          0.06896   0.00000   2.87216   0.11848   1.01459
  74        3PX        -0.04842   0.00000   0.21052  -0.08946   0.19810
  75        3PY         0.11549   0.00000   0.38307   0.25017  -0.16962
  76        3PZ         0.00000  -0.26446   0.00000   0.00000   0.00000
  77 11  C  1S          0.03240   0.00000  -0.18835  -0.03115  -0.13361
  78        2S         -0.05730   0.00000  -0.54501   0.00140  -0.09745
  79        2PX        -0.03562   0.00000  -0.33997   0.50008  -0.00910
  80        2PY         0.09254   0.00000  -0.49588   0.31630  -0.50053
  81        2PZ         0.00000  -0.13129   0.00000   0.00000   0.00000
  82        3S         -0.04649   0.00000  16.86871   0.62191   5.55398
  83        3PX         0.34738   0.00000   5.12084  -0.63327   1.09218
  84        3PY         0.11690   0.00000  -2.23840  -0.85569  -0.76980
  85        3PZ         0.00000  -0.24882   0.00000   0.00000   0.00000
  86 12  H  1S          0.03715   0.00000   0.06077  -0.14926  -0.10719
  87        2S          0.30622   0.00000   1.69547  -0.36255  -0.12777
                          56        57        58        59        60
  56        3PZ         0.38237
  57 8   H  1S          0.00000   0.35770
  58        2S          0.00000   0.66486   3.12941
  59 9   C  1S          0.00000   0.01966   0.15107   2.19763
  60        2S          0.00000  -0.01668  -0.37093  -0.21166   0.44506
  61        2PX         0.00000  -0.00708  -0.28340  -0.02179  -0.15897
  62        2PY         0.00000   0.07030   0.94517  -0.01258  -0.09178
  63        2PZ         0.09410   0.00000   0.00000   0.00000   0.00000
  64        3S          0.00000  -0.45019  -4.32799  -0.70747   2.30524
  65        3PX         0.00000  -0.03304  -1.11083  -0.18119   0.60450
  66        3PY         0.00000  -0.13852  -0.40193  -0.10461   0.34901
  67        3PZ        -0.01016   0.00000   0.00000   0.00000   0.00000
  68 10  F  1S          0.00000   0.01674   0.01206   0.03796  -0.08564
  69        2S          0.00000  -0.05714  -0.10865  -0.09667   0.15907
  70        2PX         0.00000  -0.07987  -0.38762  -0.15601   0.38739
  71        2PY         0.00000   0.03029  -0.41346  -0.09008   0.22366
  72        2PZ        -0.08967   0.00000   0.00000   0.00000   0.00000
  73        3S          0.00000  -0.01628   0.39071   0.04965  -0.33515
  74        3PX         0.00000  -0.01270   0.22541  -0.01877  -0.03837
  75        3PY         0.00000   0.03204  -0.38184  -0.01084  -0.02215
  76        3PZ        -0.09617   0.00000   0.00000   0.00000   0.00000
  77 11  C  1S          0.00000  -0.01715  -0.13654   0.03904  -0.07286
  78        2S          0.00000   0.01268   0.08628  -0.06375   0.10993
  79        2PX         0.00000   0.01807   0.02015  -0.00070   0.01831
  80        2PY         0.00000  -0.04299  -0.57754   0.19144  -0.19263
  81        2PZ        -0.24882   0.00000   0.00000   0.00000   0.00000
  82        3S          0.00000   0.06077   1.69547   0.40010  -1.64229
  83        3PX         0.00000  -0.16746  -0.29192   0.18229  -0.61477
  84        3PY         0.00000  -0.07567  -0.25009  -0.11274   0.32154
  85        3PZ        -0.18963   0.00000   0.00000   0.00000   0.00000
  86 12  H  1S          0.00000  -0.02157  -0.12414   0.01966  -0.01668
  87        2S          0.00000  -0.12414  -0.76083   0.15107  -0.37093
                          61        62        63        64        65
  61        2PX         1.05760
  62        2PY        -0.08173   1.15197
  63        2PZ         0.00000   0.00000   0.47875
  64        3S         -2.32517  -1.34244   0.00000  30.30948
  65        3PX        -0.51118  -0.92814   0.00000   7.22572   2.33180
  66        3PY        -0.92814   0.56055   0.00000   4.17177   0.24604
  67        3PZ         0.00000   0.00000   0.00897   0.00000   0.00000
  68 10  F  1S          0.15384   0.08882   0.00000  -0.07814  -0.06000
  69        2S         -0.29066  -0.16781   0.00000   0.52040   0.18910
  70        2PX        -0.54351  -0.31560   0.00000   3.34440   0.98980
  71        2PY        -0.31560  -0.17909   0.00000   1.93089   0.55300
  72        2PZ         0.00000   0.00000   0.29871   0.00000   0.00000
  73        3S          0.44286   0.25568   0.00000  -3.56863  -1.00980
  74        3PX         0.01237   0.27858   0.00000  -0.25838  -0.20548
  75        3PY         0.27858  -0.30931   0.00000  -0.14918   0.14411
  76        3PZ         0.00000   0.00000   0.02895   0.00000   0.00000
  77 11  C  1S          0.01662  -0.23603   0.00000   0.11250   0.03885
  78        2S         -0.04173   0.13021   0.00000   0.58334   0.10202
  79        2PX        -0.02608  -0.03080   0.00000   0.85493   0.43063
  80        2PY         0.04549  -0.69020   0.00000   0.10136   0.41321
  81        2PZ         0.00000   0.00000   0.24936   0.00000   0.00000
  82        3S          2.70374   0.51725   0.00000 -23.95095  -5.23664
  83        3PX         0.91570   0.01113   0.00000  -7.77238  -2.10599
  84        3PY        -0.62240   0.75932   0.00000   4.70944   0.28295
  85        3PZ         0.00000   0.00000   0.09410   0.00000   0.00000
  86 12  H  1S          0.05735  -0.04128   0.00000  -0.45019  -0.13648
  87        2S          0.67684  -0.71802   0.00000  -4.32799  -0.90350
                          66        67        68        69        70
  66        3PY         2.04769
  67        3PZ         0.00000   0.05663
  68 10  F  1S         -0.03464   0.00000   2.11143
  69        2S          0.10918   0.00000  -0.21334   0.55900
  70        2PX         0.55300   0.00000  -0.01960   0.05016   0.99038
  71        2PY         0.35126   0.00000  -0.01132   0.02896  -0.06979
  72        2PZ         0.00000  -0.12775   0.00000   0.00000   0.00000
  73        3S         -0.58301   0.00000  -0.16455   0.30097  -0.76649
  74        3PX         0.14411   0.00000   0.07074  -0.16205   0.15462
  75        3PY        -0.37188   0.00000   0.04084  -0.09356  -0.35140
  76        3PZ         0.00000  -0.10055   0.00000   0.00000   0.00000
  77 11  C  1S         -0.01894   0.00000  -0.00850   0.02354  -0.00578
  78        2S          0.14170   0.00000   0.00207  -0.00452   0.17014
  79        2PX        -0.29700   0.00000  -0.03648   0.10547   0.00675
  80        2PY        -0.46463   0.00000  -0.01906   0.03157  -0.11450
  81        2PZ         0.00000   0.08386   0.00000   0.00000   0.00000
  82        3S         -4.41060   0.00000   0.16705  -0.53468  -2.21248
  83        3PX        -0.79664   0.00000   0.05418  -0.19547  -0.89252
  84        3PY         1.83109   0.00000   0.01820   0.02666   0.33807
  85        3PZ         0.00000  -0.01016   0.00000   0.00000   0.00000
  86 12  H  1S          0.04065   0.00000   0.01674  -0.05714  -0.01370
  87        2S         -0.76105   0.00000   0.01206  -0.10865  -0.55188
                          71        72        73        74        75
  71        2PY         1.07097
  72        2PZ         0.00000   0.91577
  73        3S         -0.44253   0.00000   1.07187
  74        3PX        -0.35140   0.00000  -0.05496   0.23192
  75        3PY         0.56038   0.00000  -0.03173  -0.27803   0.55296
  76        3PZ         0.00000   0.54598   0.00000   0.00000   0.00000
  77 11  C  1S          0.03671   0.00000  -0.01436  -0.06825   0.07584
  78        2S         -0.16348   0.00000  -0.07395   0.10742  -0.17581
  79        2PX         0.10311   0.00000   0.07888  -0.05433   0.08083
  80        2PY         0.22168   0.00000  -0.00130  -0.24572   0.33936
  81        2PZ         0.00000  -0.22909   0.00000   0.00000   0.00000
  82        3S         -2.26788   0.00000   2.87216   0.43700  -0.00922
  83        3PX        -0.58855   0.00000   0.93790   0.04453   0.12074
  84        3PY         0.28354   0.00000  -0.40469   0.17281  -0.30361
  85        3PZ         0.00000  -0.08967   0.00000   0.00000   0.00000
  86 12  H  1S         -0.08432   0.00000  -0.01628   0.02140  -0.02702
  87        2S         -0.12895   0.00000   0.39071  -0.21797   0.38613
                          76        77        78        79        80
  76        3PZ         0.38451
  77 11  C  1S          0.00000   2.18526
  78        2S          0.00000  -0.12810   0.28244
  79        2PX         0.00000  -0.03302   0.00645   0.83663
  80        2PY         0.00000   0.01906  -0.00372   0.07591   0.92428
  81        2PZ        -0.26446   0.00000   0.00000   0.00000   0.00000
  82        3S          0.00000  -0.32779  -0.32998   0.21322  -0.12310
  83        3PX         0.00000   0.11368  -0.23755  -0.77499   0.11547
  84        3PY         0.00000  -0.06563   0.13715   0.11547  -0.64166
  85        3PZ        -0.09617   0.00000   0.00000   0.00000   0.00000
  86 12  H  1S          0.00000  -0.11400   0.16113  -0.37649   0.21737
  87        2S          0.00000   0.21652  -0.21898  -1.13312   0.65421
                          81        82        83        84        85
  81        2PZ         0.80621
  82        3S          0.00000  25.53024
  83        3PX         0.00000   7.46880   3.53895
  84        3PY         0.00000  -4.31211  -1.19808   2.15552
  85        3PZ         0.48055   0.00000   0.00000   0.00000   0.38237
  86 12  H  1S          0.00000   0.03635   0.38362  -0.22149   0.00000
  87        2S          0.00000   3.28036   2.58095  -1.49011   0.00000
                          86        87
  86 12  H  1S          0.35770
  87        2S          0.66486   3.12941
    Full Mulliken population analysis:
                           1         2         3         4         5
   1 1   C  1S          2.19763
   2        2S         -0.04637   0.44506
   3        2PX         0.00000   0.00000   1.19915
   4        2PY         0.00000   0.00000   0.00000   1.01041
   5        2PZ         0.00000   0.00000   0.00000   0.00000   0.47875
   6        3S         -0.13036   1.87248   0.00000   0.00000   0.00000
   7        3PX         0.00000   0.00000   0.62468   0.00000   0.00000
   8        3PY         0.00000   0.00000   0.00000  -0.59655   0.00000
   9        3PZ         0.00000   0.00000   0.00000   0.00000   0.00511
  10 2   F  1S          0.00013  -0.00868   0.00000  -0.02800   0.00000
  11        2S         -0.01085   0.07488   0.00000   0.19855   0.00000
  12        2PX         0.00000   0.00000   0.00098   0.00000   0.00000
  13        2PY        -0.03365   0.12976   0.00000   0.17092   0.00000
  14        2PZ         0.00000   0.00000   0.00000   0.00000   0.09378
  15        3S          0.00851  -0.22890   0.00000  -0.23189   0.00000
  16        3PX         0.00000   0.00000  -0.27000   0.00000   0.00000
  17        3PY        -0.00545  -0.02740   0.00000   0.01994   0.00000
  18        3PZ         0.00000   0.00000   0.00000   0.00000   0.01662
  19 3   C  1S          0.00010  -0.00883  -0.03583  -0.01008   0.00000
  20        2S         -0.00772   0.05744   0.05864   0.00734   0.00000
  21        2PX        -0.02799   0.07722   0.06239   0.07070   0.00000
  22        2PY        -0.00925   0.02038   0.09265  -0.03986   0.00000
  23        2PZ         0.00000   0.00000   0.00000   0.00000   0.09493
  24        3S          0.04792  -0.95556  -0.21011   0.34894   0.00000
  25        3PX         0.02524  -0.29497   0.20303   0.06532   0.00000
  26        3PY        -0.00784   0.10803  -0.01170   0.20277   0.00000
  27        3PZ         0.00000   0.00000   0.00000   0.00000   0.03779
  28 4   H  1S          0.00029  -0.00298  -0.01695   0.00084   0.00000
  29        2S          0.01113  -0.14814  -0.24444   0.00632   0.00000
  30 5   C  1S          0.00000   0.00009   0.00018   0.00054   0.00000
  31        2S          0.00009  -0.00050   0.00745  -0.00883   0.00000
  32        2PX         0.00018  -0.00814  -0.00068  -0.01114   0.00000
  33        2PY         0.00054   0.00676   0.00302  -0.01583   0.00000
  34        2PZ         0.00000   0.00000   0.00000   0.00000  -0.00008
  35        3S         -0.02001   0.38617   0.14685  -0.33893   0.00000
  36        3PX        -0.00555   0.05804  -0.05551  -0.01502   0.00000
  37        3PY        -0.00420   0.09821  -0.05436  -0.04794   0.00000
  38        3PZ         0.00000   0.00000   0.00000   0.00000   0.00854
  39 6   F  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  40        2S          0.00000   0.00003   0.00019   0.00014   0.00000
  41        2PX         0.00000   0.00001   0.00004   0.00010   0.00000
  42        2PY         0.00000   0.00017   0.00043   0.00026   0.00000
  43        2PZ         0.00000   0.00000   0.00000   0.00000  -0.00004
  44        3S         -0.00001  -0.00095   0.00015   0.00113   0.00000
  45        3PX         0.00006  -0.00104  -0.00146  -0.00201   0.00000
  46        3PY        -0.00008   0.00054   0.00348   0.00319   0.00000
  47        3PZ         0.00000   0.00000   0.00000   0.00000  -0.00078
  48 7   C  1S          0.00000   0.00012   0.00000   0.00027   0.00000
  49        2S          0.00009  -0.00194   0.00000  -0.00587   0.00000
  50        2PX         0.00000   0.00000  -0.00447   0.00000   0.00000
  51        2PY         0.00027  -0.00951   0.00000  -0.01704   0.00000
  52        2PZ         0.00000   0.00000   0.00000   0.00000  -0.00498
  53        3S          0.01276  -0.19679   0.00000   0.08338   0.00000
  54        3PX         0.00000   0.00000  -0.10558   0.00000   0.00000
  55        3PY         0.00717  -0.05956   0.00000   0.03562   0.00000
  56        3PZ         0.00000   0.00000   0.00000   0.00000  -0.02457
  57 8   H  1S          0.00000   0.00011   0.00000   0.00017   0.00000
  58        2S         -0.00007   0.00946   0.00000  -0.00237   0.00000
  59 9   C  1S          0.00000   0.00009   0.00018   0.00054   0.00000
  60        2S          0.00009  -0.00050   0.00745  -0.00883   0.00000
  61        2PX         0.00018  -0.00814  -0.00068  -0.01114   0.00000
  62        2PY         0.00054   0.00676   0.00302  -0.01583   0.00000
  63        2PZ         0.00000   0.00000   0.00000   0.00000  -0.00008
  64        3S         -0.02001   0.38617   0.14685  -0.33893   0.00000
  65        3PX        -0.00555   0.05804  -0.05551  -0.01502   0.00000
  66        3PY        -0.00420   0.09821  -0.05436  -0.04794   0.00000
  67        3PZ         0.00000   0.00000   0.00000   0.00000   0.00854
  68 10  F  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  69        2S          0.00000   0.00003   0.00019   0.00014   0.00000
  70        2PX         0.00000   0.00001   0.00004   0.00010   0.00000
  71        2PY         0.00000   0.00017   0.00043   0.00026   0.00000
  72        2PZ         0.00000   0.00000   0.00000   0.00000  -0.00004
  73        3S         -0.00001  -0.00095   0.00015   0.00113   0.00000
  74        3PX         0.00006  -0.00104  -0.00146  -0.00201   0.00000
  75        3PY        -0.00008   0.00054   0.00348   0.00319   0.00000
  76        3PZ         0.00000   0.00000   0.00000   0.00000  -0.00078
  77 11  C  1S          0.00010  -0.00883  -0.03583  -0.01008   0.00000
  78        2S         -0.00772   0.05744   0.05864   0.00734   0.00000
  79        2PX        -0.02799   0.07722   0.06239   0.07070   0.00000
  80        2PY        -0.00925   0.02038   0.09265  -0.03986   0.00000
  81        2PZ         0.00000   0.00000   0.00000   0.00000   0.09493
  82        3S          0.04792  -0.95556  -0.21011   0.34894   0.00000
  83        3PX         0.02524  -0.29497   0.20303   0.06532   0.00000
  84        3PY        -0.00784   0.10803  -0.01170   0.20277   0.00000
  85        3PZ         0.00000   0.00000   0.00000   0.00000   0.03779
  86 12  H  1S          0.00029  -0.00298  -0.01695   0.00084   0.00000
  87        2S          0.01113  -0.14814  -0.24444   0.00632   0.00000
                           6         7         8         9        10
   6        3S         30.30948
   7        3PX         0.00000   1.90564
   8        3PY         0.00000   0.00000   2.47386
   9        3PZ         0.00000   0.00000   0.00000   0.05663
  10 2   F  1S         -0.00586   0.00000   0.00555   0.00000   2.11143
  11        2S          0.21034   0.00000  -0.08440   0.00000  -0.05212
  12        2PX         0.00000   0.00628   0.00000   0.00000   0.00000
  13        2PY         0.41076   0.00000   0.12156   0.00000   0.00000
  14        2PZ         0.00000   0.00000   0.00000  -0.02507   0.00000
  15        3S         -2.63453   0.00000   0.63425   0.00000  -0.02824
  16        3PX         0.00000  -0.31349   0.00000   0.00000   0.00000
  17        3PY        -0.11139   0.00000  -0.05060   0.00000   0.00000
  18        3PZ         0.00000   0.00000   0.00000  -0.06927   0.00000
  19 3   C  1S          0.01347  -0.00479   0.00187   0.00000   0.00000
  20        2S          0.33942   0.03610   0.04628   0.00000   0.00002
  21        2PX         0.07896  -0.05560   0.00043   0.00000  -0.00002
  22        2PY        -0.10616   0.08677   0.08520   0.00000   0.00071
  23        2PZ         0.00000   0.00000   0.00000   0.03367   0.00000
  24        3S        -19.15610  -0.55621  -1.80169   0.00000   0.00565
  25        3PX        -3.68746   0.56864  -0.32743   0.00000   0.00044
  26        3PY         1.16980  -0.16039  -0.95498   0.00000  -0.00327
  27        3PZ         0.00000   0.00000   0.00000  -0.00812   0.00000
  28 4   H  1S         -0.13952   0.05035  -0.00521   0.00000   0.00003
  29        2S         -2.70784  -0.12342  -0.07571   0.00000   0.00032
  30 5   C  1S         -0.02001   0.00067  -0.01043   0.00000   0.00000
  31        2S          0.38617   0.02009   0.13617   0.00000   0.00000
  32        2PX        -0.24289   0.00046  -0.07636   0.00000   0.00000
  33        2PY         0.05081  -0.11570   0.01877   0.00000   0.00000
  34        2PZ         0.00000   0.00000   0.00000   0.00854   0.00000
  35        3S         11.53812   0.17669   3.00005   0.00000  -0.00074
  36        3PX         1.41168  -0.31172   0.31579   0.00000   0.00007
  37        3PY         1.76506  -0.26626   0.00272   0.00000  -0.00093
  38        3PZ         0.00000   0.00000   0.00000   0.02772   0.00000
  39 6   F  1S         -0.00074  -0.00061  -0.00025   0.00000   0.00000
  40        2S          0.01618   0.00812   0.00611   0.00000   0.00000
  41        2PX         0.04061   0.00377   0.01846   0.00000   0.00000
  42        2PY         0.03962   0.00938   0.01249   0.00000   0.00000
  43        2PZ         0.00000   0.00000   0.00000  -0.00216   0.00000
  44        3S         -0.31511  -0.03457  -0.11689   0.00000   0.00000
  45        3PX        -0.01972  -0.01243  -0.00231   0.00000   0.00000
  46        3PY        -0.05447   0.05534  -0.01478   0.00000   0.00000
  47        3PZ         0.00000   0.00000   0.00000  -0.01210   0.00000
  48 7   C  1S          0.01386   0.00000   0.00801   0.00000   0.00000
  49        2S          0.09470   0.00000   0.04173   0.00000   0.00000
  50        2PX         0.00000   0.04483   0.00000   0.00000   0.00000
  51        2PY        -0.19586   0.00000  -0.03499   0.00000   0.00000
  52        2PZ         0.00000   0.00000   0.00000   0.01480   0.00000
  53        3S         -7.65607   0.00000  -2.29777   0.00000  -0.00002
  54        3PX         0.00000  -0.44463   0.00000   0.00000   0.00000
  55        3PY        -2.42053   0.00000  -0.32448   0.00000  -0.00008
  56        3PZ         0.00000   0.00000   0.00000   0.00132   0.00000
  57 8   H  1S          0.02620   0.00000   0.01028   0.00000   0.00000
  58        2S          0.10757   0.00000   0.04694   0.00000  -0.00002
  59 9   C  1S         -0.02001   0.00067  -0.01043   0.00000   0.00000
  60        2S          0.38617   0.02009   0.13617   0.00000   0.00000
  61        2PX        -0.24289   0.00046  -0.07636   0.00000   0.00000
  62        2PY         0.05081  -0.11570   0.01877   0.00000   0.00000
  63        2PZ         0.00000   0.00000   0.00000   0.00854   0.00000
  64        3S         11.53812   0.17669   3.00005   0.00000  -0.00074
  65        3PX         1.41168  -0.31172   0.31579   0.00000   0.00007
  66        3PY         1.76506  -0.26626   0.00272   0.00000  -0.00093
  67        3PZ         0.00000   0.00000   0.00000   0.02772   0.00000
  68 10  F  1S         -0.00074  -0.00061  -0.00025   0.00000   0.00000
  69        2S          0.01618   0.00812   0.00611   0.00000   0.00000
  70        2PX         0.04061   0.00377   0.01846   0.00000   0.00000
  71        2PY         0.03962   0.00938   0.01249   0.00000   0.00000
  72        2PZ         0.00000   0.00000   0.00000  -0.00216   0.00000
  73        3S         -0.31511  -0.03457  -0.11689   0.00000   0.00000
  74        3PX        -0.01972  -0.01243  -0.00231   0.00000   0.00000
  75        3PY        -0.05447   0.05534  -0.01478   0.00000   0.00000
  76        3PZ         0.00000   0.00000   0.00000  -0.01210   0.00000
  77 11  C  1S          0.01347  -0.00479   0.00187   0.00000   0.00000
  78        2S          0.33942   0.03610   0.04628   0.00000   0.00002
  79        2PX         0.07896  -0.05560   0.00043   0.00000  -0.00002
  80        2PY        -0.10616   0.08677   0.08520   0.00000   0.00071
  81        2PZ         0.00000   0.00000   0.00000   0.03367   0.00000
  82        3S        -19.15610  -0.55621  -1.80169   0.00000   0.00565
  83        3PX        -3.68746   0.56864  -0.32743   0.00000   0.00044
  84        3PY         1.16980  -0.16039  -0.95498   0.00000  -0.00327
  85        3PZ         0.00000   0.00000   0.00000  -0.00812   0.00000
  86 12  H  1S         -0.13952   0.05035  -0.00521   0.00000   0.00003
  87        2S         -2.70784  -0.12342  -0.07571   0.00000   0.00032
                          11        12        13        14        15
  11        2S          0.55900
  12        2PX         0.00000   1.11127
  13        2PY         0.00000   0.00000   0.95009
  14        2PZ         0.00000   0.00000   0.00000   0.91577
  15        3S          0.22979   0.00000   0.00000   0.00000   1.07187
  16        3PX         0.00000   0.38126   0.00000   0.00000   0.00000
  17        3PY         0.00000   0.00000  -0.02411   0.00000   0.00000
  18        3PZ         0.00000   0.00000   0.00000   0.27273   0.00000
  19 3   C  1S          0.00002   0.00005   0.00003   0.00000  -0.00050
  20        2S         -0.00038  -0.01289   0.00565   0.00000  -0.01866
  21        2PX         0.00213  -0.00411   0.00173   0.00000   0.00660
  22        2PY        -0.01358  -0.01856  -0.00574   0.00000  -0.01667
  23        2PZ         0.00000   0.00000   0.00000  -0.00866   0.00000
  24        3S         -0.10583  -0.04718  -0.25390   0.00000   1.22341
  25        3PX        -0.02444   0.00372  -0.07862   0.00000   0.27469
  26        3PY         0.04775   0.00144   0.02528   0.00000  -0.30945
  27        3PZ         0.00000   0.00000   0.00000  -0.00852   0.00000
  28 4   H  1S         -0.00138  -0.00200  -0.00109   0.00000  -0.00208
  29        2S         -0.01738   0.01176  -0.02586   0.00000   0.14119
  30 5   C  1S          0.00000   0.00000   0.00000   0.00000  -0.00001
  31        2S          0.00003   0.00006   0.00012   0.00000  -0.00095
  32        2PX         0.00000   0.00000   0.00003   0.00000   0.00041
  33        2PY         0.00033   0.00025   0.00056   0.00000   0.00087
  34        2PZ         0.00000   0.00000   0.00000  -0.00004   0.00000
  35        3S          0.01618   0.00438   0.07586   0.00000  -0.31511
  36        3PX         0.00016  -0.00034   0.00955   0.00000  -0.03646
  37        3PY         0.01407   0.00347   0.03143   0.00000  -0.11500
  38        3PZ         0.00000   0.00000   0.00000  -0.00216   0.00000
  39 6   F  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  40        2S          0.00000   0.00000   0.00000   0.00000   0.00000
  41        2PX         0.00000   0.00000   0.00000   0.00000  -0.00001
  42        2PY         0.00000   0.00000   0.00000   0.00000  -0.00002
  43        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  44        3S          0.00000  -0.00001  -0.00002   0.00000   0.00071
  45        3PX         0.00002   0.00001   0.00001   0.00000   0.00028
  46        3PY        -0.00006  -0.00004  -0.00008   0.00000  -0.00016
  47        3PZ         0.00000   0.00000   0.00000   0.00002   0.00000
  48 7   C  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  49        2S          0.00000   0.00000   0.00000   0.00000  -0.00024
  50        2PX         0.00000   0.00000   0.00000   0.00000   0.00000
  51        2PY         0.00000   0.00000   0.00003   0.00000  -0.00010
  52        2PZ         0.00000   0.00000   0.00000   0.00001   0.00000
  53        3S         -0.00147   0.00000  -0.02314   0.00000   0.10937
  54        3PX         0.00000   0.00052   0.00000   0.00000   0.00000
  55        3PY         0.00198   0.00000  -0.01320   0.00000   0.07507
  56        3PZ         0.00000   0.00000   0.00000   0.00254   0.00000
  57 8   H  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  58        2S          0.00043   0.00000   0.00048   0.00000   0.00077
  59 9   C  1S          0.00000   0.00000   0.00000   0.00000  -0.00001
  60        2S          0.00003   0.00006   0.00012   0.00000  -0.00095
  61        2PX         0.00000   0.00000   0.00003   0.00000   0.00041
  62        2PY         0.00033   0.00025   0.00056   0.00000   0.00087
  63        2PZ         0.00000   0.00000   0.00000  -0.00004   0.00000
  64        3S          0.01618   0.00438   0.07586   0.00000  -0.31511
  65        3PX         0.00016  -0.00034   0.00955   0.00000  -0.03646
  66        3PY         0.01407   0.00347   0.03143   0.00000  -0.11500
  67        3PZ         0.00000   0.00000   0.00000  -0.00216   0.00000
  68 10  F  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  69        2S          0.00000   0.00000   0.00000   0.00000   0.00000
  70        2PX         0.00000   0.00000   0.00000   0.00000  -0.00001
  71        2PY         0.00000   0.00000   0.00000   0.00000  -0.00002
  72        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  73        3S          0.00000  -0.00001  -0.00002   0.00000   0.00071
  74        3PX         0.00002   0.00001   0.00001   0.00000   0.00028
  75        3PY        -0.00006  -0.00004  -0.00008   0.00000  -0.00016
  76        3PZ         0.00000   0.00000   0.00000   0.00002   0.00000
  77 11  C  1S          0.00002   0.00005   0.00003   0.00000  -0.00050
  78        2S         -0.00038  -0.01289   0.00565   0.00000  -0.01866
  79        2PX         0.00213  -0.00411   0.00173   0.00000   0.00660
  80        2PY        -0.01358  -0.01856  -0.00574   0.00000  -0.01667
  81        2PZ         0.00000   0.00000   0.00000  -0.00866   0.00000
  82        3S         -0.10583  -0.04718  -0.25390   0.00000   1.22341
  83        3PX        -0.02444   0.00372  -0.07862   0.00000   0.27469
  84        3PY         0.04775   0.00144   0.02528   0.00000  -0.30945
  85        3PZ         0.00000   0.00000   0.00000  -0.00852   0.00000
  86 12  H  1S         -0.00138  -0.00200  -0.00109   0.00000  -0.00208
  87        2S         -0.01738   0.01176  -0.02586   0.00000   0.14119
                          16        17        18        19        20
  16        3PX         0.71349
  17        3PY         0.00000   0.07140
  18        3PZ         0.00000   0.00000   0.38451
  19 3   C  1S          0.00544  -0.00175   0.00000   2.18526
  20        2S         -0.05129   0.00193   0.00000  -0.02806   0.28244
  21        2PX         0.00629   0.00890   0.00000   0.00000   0.00000
  22        2PY        -0.07652   0.00554   0.00000   0.00000   0.00000
  23        2PZ         0.00000   0.00000  -0.05103   0.00000   0.00000
  24        3S         -0.05211   0.13019   0.00000  -0.06040  -0.26803
  25        3PX        -0.07437   0.01407   0.00000   0.00000   0.00000
  26        3PY         0.02834  -0.00147   0.00000   0.00000   0.00000
  27        3PZ         0.00000   0.00000  -0.03823   0.00000   0.00000
  28 4   H  1S         -0.00816   0.00080   0.00000  -0.02258   0.10588
  29        2S          0.14110   0.00091   0.00000   0.03192  -0.15056
  30 5   C  1S         -0.00005   0.00003   0.00000   0.00010  -0.00772
  31        2S          0.00050  -0.00100   0.00000  -0.00883   0.05744
  32        2PX        -0.00005   0.00019   0.00000   0.00000   0.00000
  33        2PY         0.00387  -0.00082   0.00000  -0.04591   0.06598
  34        2PZ         0.00000   0.00000  -0.00078   0.00000   0.00000
  35        3S         -0.01600  -0.05820   0.00000   0.01347   0.33942
  36        3PX         0.01532  -0.00363   0.00000   0.00000   0.00000
  37        3PY         0.03498  -0.02086   0.00000  -0.00292   0.08238
  38        3PZ         0.00000   0.00000  -0.01210   0.00000   0.00000
  39 6   F  1S          0.00000   0.00000   0.00000   0.00000   0.00002
  40        2S         -0.00004   0.00000   0.00000   0.00002  -0.00038
  41        2PX        -0.00001  -0.00001   0.00000  -0.00001   0.00785
  42        2PY        -0.00006  -0.00002   0.00000   0.00008  -0.01509
  43        2PZ         0.00000   0.00000   0.00002   0.00000   0.00000
  44        3S         -0.00022   0.00034   0.00000  -0.00050  -0.01866
  45        3PX         0.00030   0.00001   0.00000  -0.00301   0.02169
  46        3PY        -0.00130   0.00026   0.00000   0.00670  -0.07105
  47        3PZ         0.00000   0.00000   0.00065   0.00000   0.00000
  48 7   C  1S          0.00000   0.00000   0.00000   0.00000   0.00018
  49        2S          0.00000  -0.00030   0.00000   0.00018  -0.00503
  50        2PX         0.00053   0.00000   0.00000   0.00044  -0.00262
  51        2PY         0.00000  -0.00093   0.00000   0.00064  -0.01034
  52        2PZ         0.00000   0.00000   0.00094   0.00000   0.00000
  53        3S          0.00000   0.01534   0.00000  -0.00953  -0.16243
  54        3PX         0.02626   0.00000   0.00000   0.00176  -0.00036
  55        3PY         0.00000   0.01327   0.00000  -0.01307  -0.04367
  56        3PZ         0.00000   0.00000   0.01745   0.00000   0.00000
  57 8   H  1S          0.00000   0.00001   0.00000   0.00000   0.00016
  58        2S          0.00000   0.00059   0.00000  -0.00251   0.01158
  59 9   C  1S         -0.00005   0.00003   0.00000   0.00000   0.00009
  60        2S          0.00050  -0.00100   0.00000   0.00012  -0.00194
  61        2PX        -0.00005   0.00019   0.00000   0.00020  -0.00440
  62        2PY         0.00387  -0.00082   0.00000   0.00007  -0.00147
  63        2PZ         0.00000   0.00000  -0.00078   0.00000   0.00000
  64        3S         -0.01600  -0.05820   0.00000   0.01386   0.09470
  65        3PX         0.01532  -0.00363   0.00000   0.00601   0.03130
  66        3PY         0.03498  -0.02086   0.00000   0.00200   0.01043
  67        3PZ         0.00000   0.00000  -0.01210   0.00000   0.00000
  68 10  F  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  69        2S         -0.00004   0.00000   0.00000   0.00000   0.00000
  70        2PX        -0.00001  -0.00001   0.00000   0.00000   0.00000
  71        2PY        -0.00006  -0.00002   0.00000   0.00000   0.00000
  72        2PZ         0.00000   0.00000   0.00002   0.00000   0.00000
  73        3S         -0.00022   0.00034   0.00000   0.00000  -0.00024
  74        3PX         0.00030   0.00001   0.00000   0.00000  -0.00023
  75        3PY        -0.00130   0.00026   0.00000   0.00000  -0.00008
  76        3PZ         0.00000   0.00000   0.00065   0.00000   0.00000
  77 11  C  1S          0.00544  -0.00175   0.00000   0.00000   0.00018
  78        2S         -0.05129   0.00193   0.00000   0.00018  -0.00503
  79        2PX         0.00629   0.00890   0.00000   0.00109  -0.01296
  80        2PY        -0.07652   0.00554   0.00000   0.00000   0.00000
  81        2PZ         0.00000   0.00000  -0.05103   0.00000   0.00000
  82        3S         -0.05211   0.13019   0.00000  -0.00953  -0.16243
  83        3PX        -0.07437   0.01407   0.00000  -0.01131  -0.04403
  84        3PY         0.02834  -0.00147   0.00000   0.00000   0.00000
  85        3PZ         0.00000   0.00000  -0.03823   0.00000   0.00000
  86 12  H  1S         -0.00816   0.00080   0.00000   0.00000   0.00016
  87        2S          0.14110   0.00091   0.00000  -0.00251   0.01158
                          21        22        23        24        25
  21        2PX         0.83663
  22        2PY         0.00000   0.92428
  23        2PZ         0.00000   0.00000   0.80621
  24        3S          0.00000   0.00000   0.00000  25.53024
  25        3PX        -0.44156   0.00000   0.00000   0.00000   3.53895
  26        3PY         0.00000  -0.36559   0.00000   0.00000   0.00000
  27        3PZ         0.00000   0.00000   0.27380   0.00000   0.00000
  28 4   H  1S          0.19309   0.06436   0.00000   0.02066  -0.13909
  29        2S          0.20609   0.06870   0.00000   2.96288  -0.89890
  30 5   C  1S          0.00000  -0.03724   0.00000   0.04792   0.00000
  31        2S          0.00000   0.09761   0.00000  -0.95556   0.00000
  32        2PX        -0.00993   0.00000   0.00000   0.00000   0.36770
  33        2PY         0.00000   0.19580   0.00000   0.13883   0.00000
  34        2PZ         0.00000   0.00000   0.09493   0.00000   0.00000
  35        3S          0.00000  -0.02720   0.00000 -19.15610   0.00000
  36        3PX         0.17292   0.00000   0.00000   0.00000  -1.68438
  37        3PY         0.00000  -0.05612   0.00000  -2.35790   0.00000
  38        3PZ         0.00000   0.00000   0.03367   0.00000   0.00000
  39 6   F  1S          0.00034   0.00035   0.00000   0.00565  -0.00169
  40        2S         -0.00716  -0.00429   0.00000  -0.10583   0.03206
  41        2PX        -0.00002   0.00928   0.00000  -0.09866  -0.05131
  42        2PY        -0.00836  -0.02758   0.00000  -0.20242   0.04421
  43        2PZ         0.00000   0.00000  -0.00866   0.00000   0.00000
  44        3S         -0.01041   0.00034   0.00000   1.22341  -0.25492
  45        3PX        -0.00431   0.05587   0.00000   0.08152   0.01240
  46        3PY        -0.01838  -0.08897   0.00000  -0.00344  -0.02877
  47        3PZ         0.00000   0.00000  -0.05103   0.00000   0.00000
  48 7   C  1S          0.00010   0.00098   0.00000  -0.00953  -0.00741
  49        2S         -0.00386  -0.00910   0.00000  -0.16243  -0.02165
  50        2PX        -0.00073  -0.00391   0.00000   0.06932  -0.01119
  51        2PY        -0.00539  -0.01734   0.00000  -0.00931   0.06285
  52        2PZ         0.00000   0.00000  -0.00980   0.00000   0.00000
  53        3S         -0.03931   0.09932   0.00000   8.63048   1.51659
  54        3PX         0.04766   0.05723   0.00000  -0.18419  -0.21543
  55        3PY        -0.00165   0.05686   0.00000   2.84900   0.32431
  56        3PZ         0.00000   0.00000  -0.04971   0.00000   0.00000
  57 8   H  1S          0.00018   0.00105   0.00000   0.00562  -0.01440
  58        2S          0.00099   0.07112   0.00000   0.50900  -0.04959
  59 9   C  1S          0.00020   0.00007   0.00000   0.01276   0.00538
  60        2S         -0.00713  -0.00238   0.00000  -0.19679  -0.04467
  61        2PX        -0.00497  -0.00893   0.00000   0.06254   0.04503
  62        2PY        -0.00893   0.00132   0.00000   0.02085  -0.04471
  63        2PZ         0.00000   0.00000  -0.00498   0.00000   0.00000
  64        3S         -0.14689  -0.04896   0.00000  -7.65607  -1.81539
  65        3PX        -0.02821   0.01317   0.00000  -1.72333  -0.06740
  66        3PY         0.01317   0.01170   0.00000  -0.57444  -0.28712
  67        3PZ         0.00000   0.00000   0.01480   0.00000   0.00000
  68 10  F  1S          0.00000   0.00000   0.00000  -0.00002  -0.00006
  69        2S          0.00000   0.00000   0.00000  -0.00147   0.00149
  70        2PX         0.00001   0.00002   0.00000  -0.01735  -0.00744
  71        2PY         0.00002  -0.00001   0.00000  -0.00578  -0.00232
  72        2PZ         0.00000   0.00000   0.00001   0.00000   0.00000
  73        3S         -0.00008  -0.00003   0.00000   0.10937   0.05630
  74        3PX        -0.00128   0.00072   0.00000   0.01151  -0.01025
  75        3PY         0.00072  -0.00055   0.00000   0.00384   0.02677
  76        3PZ         0.00000   0.00000   0.00094   0.00000   0.00000
  77 11  C  1S          0.00109   0.00000   0.00000  -0.00953  -0.01131
  78        2S         -0.01296   0.00000   0.00000  -0.16243  -0.04403
  79        2PX        -0.03029   0.00000   0.00000   0.06001   0.08361
  80        2PY         0.00000   0.00293   0.00000   0.00000   0.00000
  81        2PZ         0.00000   0.00000  -0.00980   0.00000   0.00000
  82        3S          0.06001   0.00000   0.00000   8.63048   2.66481
  83        3PX         0.08361   0.00000   0.00000   2.66481   0.14592
  84        3PY         0.00000   0.07650   0.00000   0.00000   0.00000
  85        3PZ         0.00000   0.00000  -0.04971   0.00000   0.00000
  86 12  H  1S          0.00121   0.00002   0.00000   0.00562  -0.00420
  87        2S          0.06689   0.00522   0.00000   0.50900   0.03217
                          26        27        28        29        30
  26        3PY         2.15552
  27        3PZ         0.00000   0.38237
  28 4   H  1S         -0.04636   0.00000   0.35770
  29        2S         -0.29963   0.00000   0.43767   3.12941
  30 5   C  1S          0.01741   0.00000   0.00029   0.01113   2.19763
  31        2S         -0.18694   0.00000  -0.00298  -0.14814  -0.04637
  32        2PX         0.00000   0.00000  -0.00612  -0.06983   0.00000
  33        2PY         0.09172   0.00000  -0.01000  -0.16829   0.00000
  34        2PZ         0.00000   0.03779   0.00000   0.00000   0.00000
  35        3S         -2.51766   0.00000  -0.13952  -2.70784  -0.13036
  36        3PX         0.00000   0.00000   0.02692   0.21797   0.00000
  37        3PY         0.81021   0.00000   0.01822  -0.41710   0.00000
  38        3PZ         0.00000  -0.00812   0.00000   0.00000   0.00000
  39 6   F  1S         -0.00114   0.00000   0.00003   0.00032   0.00013
  40        2S         -0.00875   0.00000  -0.00138  -0.01738  -0.01085
  41        2PX        -0.02539   0.00000  -0.00003  -0.00304  -0.02524
  42        2PY        -0.01568   0.00000  -0.00306  -0.01107  -0.00841
  43        2PZ         0.00000  -0.00852   0.00000   0.00000   0.00000
  44        3S          0.22015   0.00000  -0.00208   0.14119   0.00851
  45        3PX        -0.04117   0.00000   0.00039  -0.00533  -0.00408
  46        3PY         0.02410   0.00000  -0.00776   0.14735  -0.00136
  47        3PZ         0.00000  -0.03823   0.00000   0.00000   0.00000
  48 7   C  1S         -0.00390   0.00000   0.00000  -0.00251   0.00010
  49        2S         -0.02238   0.00000   0.00016   0.01158  -0.00772
  50        2PX         0.12172   0.00000   0.00046   0.04029  -0.02787
  51        2PY        -0.01328   0.00000   0.00077   0.03182  -0.00937
  52        2PZ         0.00000  -0.04971   0.00000   0.00000   0.00000
  53        3S          1.14822   0.00000   0.00562   0.50900   0.04792
  54        3PX        -0.25409   0.00000   0.02159   0.10355   0.00087
  55        3PY         0.00206   0.00000  -0.01960  -0.04613   0.01654
  56        3PZ         0.00000  -0.09702   0.00000   0.00000   0.00000
  57 8   H  1S          0.01640   0.00000  -0.00001  -0.00431   0.00029
  58        2S          0.10701   0.00000  -0.00431  -0.12435   0.01113
  59 9   C  1S          0.00179   0.00000   0.00000  -0.00007   0.00000
  60        2S         -0.01489   0.00000   0.00011   0.00946   0.00009
  61        2PX        -0.04471   0.00000   0.00013  -0.00178   0.00072
  62        2PY        -0.02557   0.00000   0.00004  -0.00059   0.00000
  63        2PZ         0.00000  -0.02457   0.00000   0.00000   0.00000
  64        3S         -0.60513   0.00000   0.02620   0.10757  -0.02001
  65        3PX        -0.28712   0.00000   0.00771   0.03520  -0.00976
  66        3PY        -0.12747   0.00000   0.00257   0.01173   0.00000
  67        3PZ         0.00000   0.00132   0.00000   0.00000   0.00000
  68 10  F  1S         -0.00002   0.00000   0.00000  -0.00002   0.00000
  69        2S          0.00050   0.00000   0.00000   0.00043   0.00000
  70        2PX        -0.00232   0.00000   0.00000   0.00036   0.00000
  71        2PY        -0.00059   0.00000   0.00000   0.00012   0.00000
  72        2PZ         0.00000   0.00254   0.00000   0.00000   0.00000
  73        3S          0.01877   0.00000   0.00000   0.00077  -0.00001
  74        3PX         0.02677   0.00000   0.00001   0.00044  -0.00004
  75        3PY        -0.00376   0.00000   0.00000   0.00015   0.00002
  76        3PZ         0.00000   0.01745   0.00000   0.00000   0.00000
  77 11  C  1S          0.00000   0.00000   0.00000  -0.00251   0.00000
  78        2S          0.00000   0.00000   0.00016   0.01158   0.00009
  79        2PX         0.00000   0.00000   0.00121   0.06689   0.00020
  80        2PY         0.07650   0.00000   0.00002   0.00522   0.00007
  81        2PZ         0.00000  -0.04971   0.00000   0.00000   0.00000
  82        3S          0.00000   0.00000   0.00562   0.50900   0.01276
  83        3PX         0.00000   0.00000  -0.00420   0.03217   0.00538
  84        3PY        -0.28907   0.00000   0.00619   0.02525   0.00179
  85        3PZ         0.00000  -0.09702   0.00000   0.00000   0.00000
  86 12  H  1S          0.00619   0.00000  -0.00001  -0.00431   0.00000
  87        2S          0.02525   0.00000  -0.00431  -0.12435  -0.00007
                          31        32        33        34        35
  31        2S          0.44506
  32        2PX         0.00000   1.05760
  33        2PY         0.00000   0.00000   1.15197
  34        2PZ         0.00000   0.00000   0.00000   0.47875
  35        3S          1.87248   0.00000   0.00000   0.00000  30.30948
  36        3PX         0.00000  -0.29124   0.00000   0.00000   0.00000
  37        3PY         0.00000   0.00000   0.31937   0.00000   0.00000
  38        3PZ         0.00000   0.00000   0.00000   0.00511   0.00000
  39 6   F  1S         -0.00868  -0.02100  -0.00700   0.00000  -0.00586
  40        2S          0.07488   0.14892   0.04964   0.00000   0.21034
  41        2PX         0.09732   0.05335   0.07509   0.00000   0.30807
  42        2PY         0.03244   0.07509  -0.03162   0.00000   0.10269
  43        2PZ         0.00000   0.00000   0.00000   0.09378   0.00000
  44        3S         -0.22890  -0.17391  -0.05797   0.00000  -2.63453
  45        3PX        -0.02055   0.00284  -0.05539   0.00000  -0.08354
  46        3PY        -0.00685  -0.05539  -0.14213   0.00000  -0.02785
  47        3PZ         0.00000   0.00000   0.00000   0.01662   0.00000
  48 7   C  1S         -0.00883  -0.03303  -0.01288   0.00000   0.01347
  49        2S          0.05744   0.04033   0.02565   0.00000   0.33942
  50        2PX         0.06919   0.06089   0.09476   0.00000  -0.11976
  51        2PY         0.02842   0.07281  -0.04259   0.00000   0.09256
  52        2PZ         0.00000   0.00000   0.00000   0.09493   0.00000
  53        3S         -0.95556   0.41836  -0.27953   0.00000 -19.15610
  54        3PX         0.01456   0.10193  -0.04886   0.00000  -0.08903
  55        3PY        -0.20150   0.02816   0.37818   0.00000  -2.42863
  56        3PZ         0.00000   0.00000   0.00000   0.03779   0.00000
  57 8   H  1S         -0.00298  -0.00111  -0.01501   0.00000  -0.13952
  58        2S         -0.14814  -0.04290  -0.19521   0.00000  -2.70784
  59 9   C  1S          0.00009   0.00072   0.00000   0.00000  -0.02001
  60        2S         -0.00050  -0.00138   0.00000   0.00000   0.38617
  61        2PX        -0.00138  -0.02746   0.00000   0.00000  -0.19208
  62        2PY         0.00000   0.00000   0.00283   0.00000   0.00000
  63        2PZ         0.00000   0.00000   0.00000  -0.00008   0.00000
  64        3S          0.38617  -0.19208   0.00000   0.00000  11.53812
  65        3PX         0.15625  -0.07347   0.00000   0.00000   3.17674
  66        3PY         0.00000   0.00000  -0.09936   0.00000   0.00000
  67        3PZ         0.00000   0.00000   0.00000   0.00854   0.00000
  68 10  F  1S          0.00000   0.00000   0.00000   0.00000  -0.00074
  69        2S          0.00003   0.00030   0.00003   0.00000   0.01618
  70        2PX         0.00019   0.00079   0.00007   0.00000   0.07536
  71        2PY        -0.00001  -0.00004   0.00001   0.00000   0.00488
  72        2PZ         0.00000   0.00000   0.00000  -0.00004   0.00000
  73        3S         -0.00095   0.00137  -0.00009   0.00000  -0.31511
  74        3PX        -0.00021   0.00430   0.00015   0.00000  -0.07558
  75        3PY        -0.00029  -0.00167   0.00042   0.00000   0.00138
  76        3PZ         0.00000   0.00000   0.00000  -0.00078   0.00000
  77 11  C  1S          0.00012   0.00020   0.00007   0.00000   0.01386
  78        2S         -0.00194  -0.00440  -0.00147   0.00000   0.09470
  79        2PX        -0.00713  -0.00497  -0.00893   0.00000  -0.14689
  80        2PY        -0.00238  -0.00893   0.00132   0.00000  -0.04896
  81        2PZ         0.00000   0.00000   0.00000  -0.00498   0.00000
  82        3S         -0.19679   0.06254   0.02085   0.00000  -7.65607
  83        3PX        -0.04467   0.04503  -0.04471   0.00000  -1.81539
  84        3PY        -0.01489  -0.04471  -0.02557   0.00000  -0.60513
  85        3PZ         0.00000   0.00000   0.00000  -0.02457   0.00000
  86 12  H  1S          0.00011   0.00013   0.00004   0.00000   0.02620
  87        2S          0.00946  -0.00178  -0.00059   0.00000   0.10757
                          36        37        38        39        40
  36        3PX         2.33180
  37        3PY         0.00000   2.04769
  38        3PZ         0.00000   0.00000   0.05663
  39 6   F  1S          0.00416   0.00139   0.00000   2.11143
  40        2S         -0.06330  -0.02110   0.00000  -0.05212   0.55900
  41        2PX         0.11750  -0.02476   0.00000   0.00000   0.00000
  42        2PY        -0.02476   0.05986   0.00000   0.00000   0.00000
  43        2PZ         0.00000   0.00000  -0.02507   0.00000   0.00000
  44        3S          0.47568   0.15856   0.00000  -0.02824   0.22979
  45        3PX        -0.09916  -0.01716   0.00000   0.00000   0.00000
  46        3PY        -0.01716  -0.23061   0.00000   0.00000   0.00000
  47        3PZ         0.00000   0.00000  -0.06927   0.00000   0.00000
  48 7   C  1S          0.00040  -0.00333   0.00000   0.00000   0.00002
  49        2S          0.08747  -0.00509   0.00000   0.00002  -0.00038
  50        2PX        -0.03638   0.09383   0.00000   0.00072  -0.01215
  51        2PY         0.00749   0.05186   0.00000  -0.00003   0.00069
  52        2PZ         0.00000   0.00000   0.03367   0.00000   0.00000
  53        3S         -2.98064   0.62274   0.00000   0.00565  -0.10583
  54        3PX         0.33205  -0.20013   0.00000  -0.00299   0.02734
  55        3PY        -0.36718  -0.63892   0.00000   0.00016  -0.00404
  56        3PZ         0.00000   0.00000  -0.00812   0.00000   0.00000
  57 8   H  1S         -0.00956   0.05470   0.00000   0.00003  -0.00138
  58        2S         -0.39324   0.19412   0.00000   0.00032  -0.01738
  59 9   C  1S         -0.00976   0.00000   0.00000   0.00000   0.00000
  60        2S          0.15625   0.00000   0.00000   0.00000   0.00003
  61        2PX        -0.07347   0.00000   0.00000   0.00000   0.00030
  62        2PY         0.00000  -0.09936   0.00000   0.00000   0.00003
  63        2PZ         0.00000   0.00000   0.00854   0.00000   0.00000
  64        3S          3.17674   0.00000   0.00000  -0.00074   0.01618
  65        3PX         0.18470   0.00000   0.00000  -0.00075   0.01306
  66        3PY         0.00000  -0.44417   0.00000  -0.00011   0.00117
  67        3PZ         0.00000   0.00000   0.02772   0.00000   0.00000
  68 10  F  1S         -0.00075  -0.00011   0.00000   0.00000   0.00000
  69        2S          0.01306   0.00117   0.00000   0.00000   0.00000
  70        2PX         0.04091  -0.00011   0.00000   0.00000   0.00000
  71        2PY         0.00289   0.00042   0.00000   0.00000   0.00000
  72        2PZ         0.00000   0.00000  -0.00216   0.00000   0.00000
  73        3S         -0.15616   0.00469   0.00000   0.00000   0.00000
  74        3PX        -0.00739   0.01055   0.00000   0.00000  -0.00004
  75        3PY        -0.00849   0.03114   0.00000   0.00000   0.00000
  76        3PZ         0.00000   0.00000  -0.01210   0.00000   0.00000
  77 11  C  1S          0.00601   0.00200   0.00000   0.00000   0.00000
  78        2S          0.03130   0.01043   0.00000   0.00000   0.00000
  79        2PX        -0.02821   0.01317   0.00000   0.00000   0.00000
  80        2PY         0.01317   0.01170   0.00000   0.00000   0.00000
  81        2PZ         0.00000   0.00000   0.01480   0.00000   0.00000
  82        3S         -1.72333  -0.57444   0.00000  -0.00002  -0.00147
  83        3PX        -0.06740  -0.28712   0.00000  -0.00006   0.00149
  84        3PY        -0.28712  -0.12747   0.00000  -0.00002   0.00050
  85        3PZ         0.00000   0.00000   0.00132   0.00000   0.00000
  86 12  H  1S          0.00771   0.00257   0.00000   0.00000   0.00000
  87        2S          0.03520   0.01173   0.00000  -0.00002   0.00043
                          41        42        43        44        45
  41        2PX         0.99038
  42        2PY         0.00000   1.07097
  43        2PZ         0.00000   0.00000   0.91577
  44        3S          0.00000   0.00000   0.00000   1.07187
  45        3PX         0.07724   0.00000   0.00000   0.00000   0.23192
  46        3PY         0.00000   0.27992   0.00000   0.00000   0.00000
  47        3PZ         0.00000   0.00000   0.27273   0.00000   0.00000
  48 7   C  1S          0.00007   0.00000   0.00000  -0.00050   0.00311
  49        2S         -0.00582  -0.00142   0.00000  -0.01866  -0.04444
  50        2PX        -0.02676  -0.00249   0.00000  -0.01129  -0.06336
  51        2PY         0.00016   0.00243   0.00000   0.00123  -0.00166
  52        2PZ         0.00000   0.00000  -0.00866   0.00000   0.00000
  53        3S         -0.30578   0.00470   0.00000   1.22341   0.08771
  54        3PX         0.01096  -0.00123   0.00000  -0.07192   0.01756
  55        3PY        -0.01169  -0.04623   0.00000   0.03715   0.00710
  56        3PZ         0.00000   0.00000  -0.00852   0.00000   0.00000
  57 8   H  1S         -0.00260  -0.00049   0.00000  -0.00208  -0.00327
  58        2S         -0.02987   0.01577   0.00000   0.14119   0.07725
  59 9   C  1S          0.00000   0.00000   0.00000  -0.00001  -0.00004
  60        2S          0.00019  -0.00001   0.00000  -0.00095  -0.00021
  61        2PX         0.00079  -0.00004   0.00000   0.00137   0.00430
  62        2PY         0.00007   0.00001   0.00000  -0.00009   0.00015
  63        2PZ         0.00000   0.00000  -0.00004   0.00000   0.00000
  64        3S          0.07536   0.00488   0.00000  -0.31511  -0.07558
  65        3PX         0.04091   0.00289   0.00000  -0.15616  -0.00739
  66        3PY        -0.00011   0.00042   0.00000   0.00469   0.01055
  67        3PZ         0.00000   0.00000  -0.00216   0.00000   0.00000
  68 10  F  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  69        2S          0.00000   0.00000   0.00000   0.00000  -0.00004
  70        2PX         0.00000   0.00000   0.00000  -0.00003  -0.00010
  71        2PY         0.00000   0.00000   0.00000   0.00000   0.00000
  72        2PZ         0.00000   0.00000   0.00000   0.00000   0.00000
  73        3S         -0.00003   0.00000   0.00000   0.00071   0.00012
  74        3PX        -0.00010   0.00000   0.00000   0.00012  -0.00042
  75        3PY         0.00000   0.00000   0.00000   0.00000   0.00000
  76        3PZ         0.00000   0.00000   0.00002   0.00000   0.00000
  77 11  C  1S          0.00000   0.00000   0.00000   0.00000   0.00000
  78        2S          0.00000   0.00000   0.00000  -0.00024  -0.00023
  79        2PX         0.00001   0.00002   0.00000  -0.00008  -0.00128
  80        2PY         0.00002  -0.00001   0.00000  -0.00003   0.00072
  81        2PZ         0.00000   0.00000   0.00001   0.00000   0.00000
  82        3S         -0.01735  -0.00578   0.00000   0.10937   0.01151
  83        3PX        -0.00744  -0.00232   0.00000   0.05630  -0.01025
  84        3PY        -0.00232  -0.00059   0.00000   0.01877   0.02677
  85        3PZ         0.00000   0.00000   0.00254   0.00000   0.00000
  86 12  H  1S          0.00000   0.00000   0.00000   0.00000   0.00001
  87        2S          0.00036   0.00012   0.00000   0.00077   0.00044
                          46        47        48        49        50
  46        3PY         0.55296
  47        3PZ         0.00000   0.38451
  48 7   C  1S          0.00058   0.00000   2.18526
  49        2S         -0.00492   0.00000  -0.02806   0.28244
  50        2PX        -0.01282   0.00000   0.00000   0.00000   0.96811
  51        2PY         0.02205   0.00000   0.00000   0.00000   0.00000
  52        2PZ         0.00000  -0.05103   0.00000   0.00000   0.00000
  53        3S         -0.00963   0.00000  -0.06040  -0.26803   0.00000
  54        3PX         0.00896   0.00000   0.00000   0.00000  -0.32761
  55        3PY        -0.06705   0.00000   0.00000   0.00000   0.00000
  56        3PZ         0.00000  -0.03823   0.00000   0.00000   0.00000
  57 8   H  1S         -0.00409   0.00000  -0.02258   0.10588   0.00000
  58        2S          0.06476   0.00000   0.03192  -0.15056   0.00000
  59 9   C  1S          0.00002   0.00000   0.00010  -0.00772  -0.02787
  60        2S         -0.00029   0.00000  -0.00883   0.05744   0.06919
  61        2PX        -0.00167   0.00000  -0.03303   0.04033   0.06089
  62        2PY         0.00042   0.00000  -0.01288   0.02565   0.09476
  63        2PZ         0.00000  -0.00078   0.00000   0.00000   0.00000
  64        3S          0.00138   0.00000   0.01347   0.33942  -0.11976
  65        3PX        -0.00849   0.00000   0.00040   0.08747  -0.03638
  66        3PY         0.03114   0.00000  -0.00333  -0.00509   0.09383
  67        3PZ         0.00000  -0.01210   0.00000   0.00000   0.00000
  68 10  F  1S          0.00000   0.00000   0.00000   0.00002   0.00072
  69        2S          0.00000   0.00000   0.00002  -0.00038  -0.01215
  70        2PX         0.00000   0.00000   0.00007  -0.00582  -0.02676
  71        2PY         0.00000   0.00000   0.00000  -0.00142  -0.00249
  72        2PZ         0.00000   0.00002   0.00000   0.00000   0.00000
  73        3S          0.00000   0.00000  -0.00050  -0.01866  -0.01129
  74        3PX         0.00000   0.00000   0.00311  -0.04444  -0.06336
  75        3PY        -0.00032   0.00000   0.00058  -0.00492  -0.01282
  76        3PZ         0.00000   0.00065   0.00000   0.00000   0.00000
  77 11  C  1S          0.00000   0.00000   0.00000   0.00018   0.00044
  78        2S         -0.00008   0.00000   0.00018  -0.00503  -0.00262
  79        2PX         0.00072   0.00000   0.00010  -0.00386  -0.00073
  80        2PY        -0.00055   0.00000   0.00098  -0.00910  -0.00391
  81        2PZ         0.00000   0.00094   0.00000   0.00000   0.00000
  82        3S          0.00384   0.00000  -0.00953  -0.16243   0.06932
  83        3PX         0.02677   0.00000  -0.00741  -0.02165  -0.01119
  84        3PY        -0.00376   0.00000  -0.00390  -0.02238   0.12172
  85        3PZ         0.00000   0.01745   0.00000   0.00000   0.00000
  86 12  H  1S          0.00000   0.00000   0.00000   0.00016   0.00046
  87        2S          0.00015   0.00000  -0.00251   0.01158   0.04029
                          51        52        53        54        55
  51        2PY         0.79281
  52        2PZ         0.00000   0.80621
  53        3S          0.00000   0.00000  25.53024
  54        3PX         0.00000   0.00000   0.00000   1.46381
  55        3PY        -0.47954   0.00000   0.00000   0.00000   4.23066
  56        3PZ         0.00000   0.27380   0.00000   0.00000   0.00000
  57 8   H  1S          0.25745   0.00000   0.02066   0.00000  -0.18546
  58        2S          0.27478   0.00000   2.96288   0.00000  -1.19853
  59 9   C  1S         -0.00937   0.00000   0.04792   0.00087   0.01654
  60        2S          0.02842   0.00000  -0.95556   0.01456  -0.20150
  61        2PX         0.07281   0.00000   0.41836   0.10193   0.02816
  62        2PY        -0.04259   0.00000  -0.27953  -0.04886   0.37818
  63        2PZ         0.00000   0.09493   0.00000   0.00000   0.00000
  64        3S          0.09256   0.00000 -19.15610  -0.08903  -2.42863
  65        3PX         0.00749   0.00000  -2.98064   0.33205  -0.36718
  66        3PY         0.05186   0.00000   0.62274  -0.20013  -0.63892
  67        3PZ         0.00000   0.03367   0.00000   0.00000   0.00000
  68 10  F  1S         -0.00003   0.00000   0.00565  -0.00299   0.00016
  69        2S          0.00069   0.00000  -0.10583   0.02734  -0.00404
  70        2PX         0.00016   0.00000  -0.30578   0.01096  -0.01169
  71        2PY         0.00243   0.00000   0.00470  -0.00123  -0.04623
  72        2PZ         0.00000  -0.00866   0.00000   0.00000   0.00000
  73        3S          0.00123   0.00000   1.22341  -0.07192   0.03715
  74        3PX        -0.00166   0.00000   0.08771   0.01756   0.00710
  75        3PY         0.02205   0.00000  -0.00963   0.00896  -0.06705
  76        3PZ         0.00000  -0.05103   0.00000   0.00000   0.00000
  77 11  C  1S          0.00064   0.00000  -0.00953   0.00176  -0.01307
  78        2S         -0.01034   0.00000  -0.16243  -0.00036  -0.04367
  79        2PX        -0.00539   0.00000  -0.03931   0.04766  -0.00165
  80        2PY        -0.01734   0.00000   0.09932   0.05723   0.05686
  81        2PZ         0.00000  -0.00980   0.00000   0.00000   0.00000
  82        3S         -0.00931   0.00000   8.63048  -0.18419   2.84900
  83        3PX         0.06285   0.00000   1.51659  -0.21543   0.32431
  84        3PY        -0.01328   0.00000   1.14822  -0.25409   0.00206
  85        3PZ         0.00000  -0.04971   0.00000   0.00000   0.00000
  86 12  H  1S          0.00077   0.00000   0.00562   0.02159  -0.01960
  87        2S          0.03182   0.00000   0.50900   0.10355  -0.04613
                          56        57        58        59        60
  56        3PZ         0.38237
  57 8   H  1S          0.00000   0.35770
  58        2S          0.00000   0.43767   3.12941
  59 9   C  1S          0.00000   0.00029   0.01113   2.19763
  60        2S          0.00000  -0.00298  -0.14814  -0.04637   0.44506
  61        2PX         0.00000  -0.00111  -0.04290   0.00000   0.00000
  62        2PY         0.00000  -0.01501  -0.19521   0.00000   0.00000
  63        2PZ         0.03779   0.00000   0.00000   0.00000   0.00000
  64        3S          0.00000  -0.13952  -2.70784  -0.13036   1.87248
  65        3PX         0.00000  -0.00956  -0.39324   0.00000   0.00000
  66        3PY         0.00000   0.05470   0.19412   0.00000   0.00000
  67        3PZ        -0.00812   0.00000   0.00000   0.00000   0.00000
  68 10  F  1S          0.00000   0.00003   0.00032   0.00013  -0.00868
  69        2S          0.00000  -0.00138  -0.01738  -0.01085   0.07488
  70        2PX         0.00000  -0.00260  -0.02987  -0.02524   0.09732
  71        2PY         0.00000  -0.00049   0.01577  -0.00841   0.03244
  72        2PZ        -0.00852   0.00000   0.00000   0.00000   0.00000
  73        3S          0.00000  -0.00208   0.14119   0.00851  -0.22890
  74        3PX         0.00000  -0.00327   0.07725  -0.00408  -0.02055
  75        3PY         0.00000  -0.00409   0.06476  -0.00136  -0.00685
  76        3PZ        -0.03823   0.00000   0.00000   0.00000   0.00000
  77 11  C  1S          0.00000   0.00000  -0.00251   0.00010  -0.00883
  78        2S          0.00000   0.00016   0.01158  -0.00772   0.05744
  79        2PX         0.00000   0.00018   0.00099   0.00000   0.00000
  80        2PY         0.00000   0.00105   0.07112  -0.03724   0.09761
  81        2PZ        -0.04971   0.00000   0.00000   0.00000   0.00000
  82        3S          0.00000   0.00562   0.50900   0.04792  -0.95556
  83        3PX         0.00000  -0.01440  -0.04959   0.00000   0.00000
  84        3PY         0.00000   0.01640   0.10701   0.01741  -0.18694
  85        3PZ        -0.09702   0.00000   0.00000   0.00000   0.00000
  86 12  H  1S          0.00000  -0.00001  -0.00431   0.00029  -0.00298
  87        2S          0.00000  -0.00431  -0.12435   0.01113  -0.14814
                          61        62        63        64        65
  61        2PX         1.05760
  62        2PY         0.00000   1.15197
  63        2PZ         0.00000   0.00000   0.47875
  64        3S          0.00000   0.00000   0.00000  30.30948
  65        3PX        -0.29124   0.00000   0.00000   0.00000   2.33180
  66        3PY         0.00000   0.31937   0.00000   0.00000   0.00000
  67        3PZ         0.00000   0.00000   0.00511   0.00000   0.00000
  68 10  F  1S         -0.02100  -0.00700   0.00000  -0.00586   0.00416
  69        2S          0.14892   0.04964   0.00000   0.21034  -0.06330
  70        2PX         0.05335   0.07509   0.00000   0.30807   0.11750
  71        2PY         0.07509  -0.03162   0.00000   0.10269  -0.02476
  72        2PZ         0.00000   0.00000   0.09378   0.00000   0.00000
  73        3S         -0.17391  -0.05797   0.00000  -2.63453   0.47568
  74        3PX         0.00284  -0.05539   0.00000  -0.08354  -0.09916
  75        3PY        -0.05539  -0.14213   0.00000  -0.02785  -0.01716
  76        3PZ         0.00000   0.00000   0.01662   0.00000   0.00000
  77 11  C  1S          0.00000  -0.04591   0.00000   0.01347   0.00000
  78        2S          0.00000   0.06598   0.00000   0.33942   0.00000
  79        2PX        -0.00993   0.00000   0.00000   0.00000   0.17292
  80        2PY         0.00000   0.19580   0.00000  -0.02720   0.00000
  81        2PZ         0.00000   0.00000   0.09493   0.00000   0.00000
  82        3S          0.00000   0.13883   0.00000 -19.15610   0.00000
  83        3PX         0.36770   0.00000   0.00000   0.00000  -1.68438
  84        3PY         0.00000   0.09172   0.00000  -2.51766   0.00000
  85        3PZ         0.00000   0.00000   0.03779   0.00000   0.00000
  86 12  H  1S         -0.00612  -0.01000   0.00000  -0.13952   0.02692
  87        2S         -0.06983  -0.16829   0.00000  -2.70784   0.21797
                          66        67        68        69        70
  66        3PY         2.04769
  67        3PZ         0.00000   0.05663
  68 10  F  1S          0.00139   0.00000   2.11143
  69        2S         -0.02110   0.00000  -0.05212   0.55900
  70        2PX        -0.02476   0.00000   0.00000   0.00000   0.99038
  71        2PY         0.05986   0.00000   0.00000   0.00000   0.00000
  72        2PZ         0.00000  -0.02507   0.00000   0.00000   0.00000
  73        3S          0.15856   0.00000  -0.02824   0.22979   0.00000
  74        3PX        -0.01716   0.00000   0.00000   0.00000   0.07724
  75        3PY        -0.23061   0.00000   0.00000   0.00000   0.00000
  76        3PZ         0.00000  -0.06927   0.00000   0.00000   0.00000
  77 11  C  1S         -0.00292   0.00000   0.00000   0.00002  -0.00001
  78        2S          0.08238   0.00000   0.00002  -0.00038   0.00785
  79        2PX         0.00000   0.00000   0.00034  -0.00716  -0.00002
  80        2PY        -0.05612   0.00000   0.00035  -0.00429   0.00928
  81        2PZ         0.00000   0.03367   0.00000   0.00000   0.00000
  82        3S         -2.35790   0.00000   0.00565  -0.10583  -0.09866
  83        3PX         0.00000   0.00000  -0.00169   0.03206  -0.05131
  84        3PY         0.81021   0.00000  -0.00114  -0.00875  -0.02539
  85        3PZ         0.00000  -0.00812   0.00000   0.00000   0.00000
  86 12  H  1S          0.01822   0.00000   0.00003  -0.00138  -0.00003
  87        2S         -0.41710   0.00000   0.00032  -0.01738  -0.00304
                          71        72        73        74        75
  71        2PY         1.07097
  72        2PZ         0.00000   0.91577
  73        3S          0.00000   0.00000   1.07187
  74        3PX         0.00000   0.00000   0.00000   0.23192
  75        3PY         0.27992   0.00000   0.00000   0.00000   0.55296
  76        3PZ         0.00000   0.27273   0.00000   0.00000   0.00000
  77 11  C  1S          0.00008   0.00000  -0.00050  -0.00301   0.00670
  78        2S         -0.01509   0.00000  -0.01866   0.02169  -0.07105
  79        2PX        -0.00836   0.00000  -0.01041  -0.00431  -0.01838
  80        2PY        -0.02758   0.00000   0.00034   0.05587  -0.08897
  81        2PZ         0.00000  -0.00866   0.00000   0.00000   0.00000
  82        3S         -0.20242   0.00000   1.22341   0.08152  -0.00344
  83        3PX         0.04421   0.00000  -0.25492   0.01240  -0.02877
  84        3PY        -0.01568   0.00000   0.22015  -0.04117   0.02410
  85        3PZ         0.00000  -0.00852   0.00000   0.00000   0.00000
  86 12  H  1S         -0.00306   0.00000  -0.00208   0.00039  -0.00776
  87        2S         -0.01107   0.00000   0.14119  -0.00533   0.14735
                          76        77        78        79        80
  76        3PZ         0.38451
  77 11  C  1S          0.00000   2.18526
  78        2S          0.00000  -0.02806   0.28244
  79        2PX         0.00000   0.00000   0.00000   0.83663
  80        2PY         0.00000   0.00000   0.00000   0.00000   0.92428
  81        2PZ        -0.05103   0.00000   0.00000   0.00000   0.00000
  82        3S          0.00000  -0.06040  -0.26803   0.00000   0.00000
  83        3PX         0.00000   0.00000   0.00000  -0.44156   0.00000
  84        3PY         0.00000   0.00000   0.00000   0.00000  -0.36559
  85        3PZ        -0.03823   0.00000   0.00000   0.00000   0.00000
  86 12  H  1S          0.00000  -0.02258   0.10588   0.19309   0.06436
  87        2S          0.00000   0.03192  -0.15056   0.20609   0.06870
                          81        82        83        84        85
  81        2PZ         0.80621
  82        3S          0.00000  25.53024
  83        3PX         0.00000   0.00000   3.53895
  84        3PY         0.00000   0.00000   0.00000   2.15552
  85        3PZ         0.27380   0.00000   0.00000   0.00000   0.38237
  86 12  H  1S          0.00000   0.02066  -0.13909  -0.04636   0.00000
  87        2S          0.00000   2.96288  -0.89890  -0.29963   0.00000
                          86        87
  86 12  H  1S          0.35770
  87        2S          0.43767   3.12941
     Gross orbital populations:
                           1
   1 1   C  1S          2.00559
   2        2S          0.73672
   3        2PX         1.33969
   4        2PY         1.07344
   5        2PZ         0.84542
   6        3S          0.69053
   7        3PX         0.57266
   8        3PY         0.46990
   9        3PZ         0.07863
  10 2   F  1S          1.99863
  11        2S          0.96142
  12        2PX         1.38033
  13        2PY         1.25937
  14        2PZ         1.22103
  15        3S          0.67186
  16        3PX         0.44996
  17        3PY         0.05122
  18        3PZ         0.42005
  19 3   C  1S          2.00262
  20        2S          0.56853
  21        2PX         1.12073
  22        2PY         1.12156
  23        2PZ         1.10959
  24        3S         -1.13834
  25        3PX        -0.53081
  26        3PY        -0.19800
  27        3PZ         0.32528
  28 4   H  1S          0.76328
  29        2S          0.62911
  30 5   C  1S          2.00559
  31        2S          0.73672
  32        2PX         1.14000
  33        2PY         1.27313
  34        2PZ         0.84542
  35        3S          0.69053
  36        3PX         0.49559
  37        3PY         0.54697
  38        3PZ         0.07863
  39 6   F  1S          1.99863
  40        2S          0.96142
  41        2PX         1.28961
  42        2PY         1.35009
  43        2PZ         1.22103
  44        3S          0.67186
  45        3PX         0.15090
  46        3PY         0.35027
  47        3PZ         0.42005
  48 7   C  1S          2.00262
  49        2S          0.56853
  50        2PX         1.12198
  51        2PY         1.12031
  52        2PZ         1.10959
  53        3S         -1.13834
  54        3PX        -0.03160
  55        3PY        -0.69721
  56        3PZ         0.32528
  57 8   H  1S          0.76328
  58        2S          0.62911
  59 9   C  1S          2.00559
  60        2S          0.73672
  61        2PX         1.14000
  62        2PY         1.27313
  63        2PZ         0.84542
  64        3S          0.69053
  65        3PX         0.49559
  66        3PY         0.54697
  67        3PZ         0.07863
  68 10  F  1S          1.99863
  69        2S          0.96142
  70        2PX         1.28961
  71        2PY         1.35009
  72        2PZ         1.22103
  73        3S          0.67186
  74        3PX         0.15090
  75        3PY         0.35027
  76        3PZ         0.42005
  77 11  C  1S          2.00262
  78        2S          0.56853
  79        2PX         1.12073
  80        2PY         1.12156
  81        2PZ         1.10959
  82        3S         -1.13834
  83        3PX        -0.53081
  84        3PY        -0.19800
  85        3PZ         0.32528
  86 12  H  1S          0.76328
  87        2S          0.62911
          Condensed to atoms (all electrons):
              1          2          3          4          5          6
  1  C   43.534600  -2.036644 -24.397253  -3.395295  17.946078  -0.372509
  2  F   -2.036644   9.447439   0.522262   0.238154  -0.372509   0.000570
  3  C  -24.397253   0.522262  34.862229   2.096444 -24.397253   0.522262
  4  H   -3.395295   0.238154   2.096444   4.362455  -3.395295   0.238154
  5  C   17.946078  -0.372509 -24.397253  -3.395295  43.534600  -2.036644
  6  F   -0.372509   0.000570   0.522262   0.238154  -2.036644   9.447439
  7  C  -13.445706   0.223853  13.540565   0.656597 -24.397253   0.522262
  8  H    0.198289   0.002263   0.656597  -0.132987  -3.395295   0.238154
  9  C   17.946078  -0.372509 -13.445706   0.198289  17.946078  -0.372509
 10  F   -0.372509   0.000570   0.223853   0.002263  -0.372509   0.000570
 11  C  -24.397253   0.522262  13.540565   0.656597 -13.445706   0.223853
 12  H   -3.395295   0.238154   0.656597  -0.132987   0.198289   0.002263
              7          8          9         10         11         12
  1  C  -13.445706   0.198289  17.946078  -0.372509 -24.397253  -3.395295
  2  F    0.223853   0.002263  -0.372509   0.000570   0.522262   0.238154
  3  C   13.540565   0.656597 -13.445706   0.223853  13.540565   0.656597
  4  H    0.656597  -0.132987   0.198289   0.002263   0.656597  -0.132987
  5  C  -24.397253  -3.395295  17.946078  -0.372509 -13.445706   0.198289
  6  F    0.522262   0.238154  -0.372509   0.000570   0.223853   0.002263
  7  C   34.862229   2.096444 -24.397253   0.522262  13.540565   0.656597
  8  H    2.096444   4.362455  -3.395295   0.238154   0.656597  -0.132987
  9  C  -24.397253  -3.395295  43.534600  -2.036644 -24.397253  -3.395295
 10  F    0.522262   0.238154  -2.036644   9.447439   0.522262   0.238154
 11  C   13.540565   0.656597 -24.397253   0.522262  34.862229   2.096444
 12  H    0.656597  -0.132987  -3.395295   0.238154   2.096444   4.362455
 Total atomic charges:
              1
  1  C   -1.812580
  2  F    0.586133
  3  C    1.618837
  4  H   -0.392390
  5  C   -1.812580
  6  F    0.586133
  7  C    1.618837
  8  H   -0.392390
  9  C   -1.812580
 10  F    0.586133
 11  C    1.618837
 12  H   -0.392390
 Sum of Mulliken charges=   0.00000
 Atomic charges with hydrogens summed into heavy atoms:
              1
  1  C   -1.812580
  2  F    0.586133
  3  C    1.226448
  4  H    0.000000
  5  C   -1.812580
  6  F    0.586133
  7  C    1.226448
  8  H    0.000000
  9  C   -1.812580
 10  F    0.586133
 11  C    1.226448
 12  H    0.000000
 Sum of Mulliken charges=   0.00000
 Electronic spatial extent (au):  <R**2>=   441.0285
 Charge=     0.0000 electrons
 Dipole moment (Debye):
    X=     0.0000    Y=     0.0000    Z=     0.0000  Tot=     0.0000
 Quadrupole moment (Debye-Ang):
   XX=   -41.3293   YY=   -41.3293   ZZ=   -36.7718
   XY=     0.0000   XZ=     0.0000   YZ=     0.0000
 Octapole moment (Debye-Ang**2):
  XXX=     0.0000  YYY=     0.0289  ZZZ=     0.0000  XYY=     0.0000
  XXY=    -0.0289  XXZ=     0.0000  XZZ=     0.0000  YZZ=     0.0000
  YYZ=     0.0000  XYZ=     0.0000
 Hexadecapole moment (Debye-Ang**3):
 XXXX=  -199.5681 YYYY=  -199.5681 ZZZZ=   -25.2176 XXXY=     0.0000
 XXXZ=     0.0000 YYYX=     0.0000 YYYZ=     0.0000 ZZZX=     0.0000
 ZZZY=     0.0000 XXYY=   -66.5227 XXZZ=   -33.8204 YYZZ=   -33.8204
 XXYZ=     0.0000 YYXZ=     0.0000 ZZXY=     0.0000
 N-N= 7.250131532363D+02 E-N=-2.713473338505D+03  KE= 5.777207919546D+02
 Symmetry A1   KE= 3.500865410818D+02
 Symmetry A2   KE= 1.019704304499D+01
 Symmetry B1   KE= 1.971312339351D+02
 Symmetry B2   KE= 2.030597389270D+01

 Test job not archived.
 1\1\GINC-CHMSGI\SP\RHF\6-31G\C6H3F3\NATALENSE\18-Feb-1998\0\\# RHF/6-3
 1G SCF=DIRECT POP=FULL TEST GFINPUT\\C6f3h3, very small BASIS.\\0,1\C\
 F,1,0.698196\C,1,0.86113,2,120.\H,3,0.586857,1,120.,2,0.,0\C,3,0.86113
 ,1,120.,4,180.,0\F,5,0.698196,3,120.,4,0.,0\C,5,0.86113,3,120.,6,180.,
 0\H,7,0.586857,5,120.,6,0.,0\C,7,0.86113,5,120.,8,180.,0\F,9,0.698196,
 7,120.,8,0.,0\C,9,0.86113,7,120.,10,180.,0\H,11,0.586857,9,120.,10,0.,
 0\\Version=SGI-G94RevD.4\State=1-A1'\HF=-514.1003962\RMSD=1.927e-04\Di
 pole=0.,0.,0.\PG=D03H [3C2(H1C1.C1F1)]\\@


 A warm smile is the universal language of kindness.
                             -- William Arthur Ward
 Job cpu time:  0 days  0 hours  0 minutes 25.3 seconds.
 File lengths (MBytes):  RWF=   10 Int=    0 D2E=    0 Chk=    1 Scr=    1
 Normal termination of Gaussian 94