File: dvb_sp.fchk

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dvb_sp.out                                                              
SP        RB3LYP                                                      STO-3G              
Number of atoms                            I               20
Info1-9                                    I   N=           9
          27          27           0           0           0         111
           1          18        -502
Charge                                     I                0
Multiplicity                               I                1
Number of electrons                        I               70
Number of alpha electrons                  I               35
Number of beta electrons                   I               35
Number of basis functions                  I               60
Number of independent functions            I               60
Number of point charges in /Mol/           I                0
Number of translation vectors              I                0
Atomic numbers                             I   N=          20
           6           6           6           6           6           1
           1           1           6           6           1           1
           1           6           1           6           1           1
           6           1
Nuclear charges                            R   N=          20
  6.00000000E+00  6.00000000E+00  6.00000000E+00  6.00000000E+00  6.00000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  6.00000000E+00  6.00000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  6.00000000E+00  1.00000000E+00
  6.00000000E+00  1.00000000E+00  1.00000000E+00  6.00000000E+00  1.00000000E+00
Current cartesian coordinates              R   N=          60
  5.09243398E-01 -2.66468392E+00  0.00000000E+00 -2.01208590E+00 -1.73987085E+00
  0.00000000E+00 -2.50469971E+00  8.63661535E-01  0.00000000E+00 -5.09243398E-01
  2.66468392E+00  0.00000000E+00  2.01208590E+00  1.73987085E+00  0.00000000E+00
 -3.59885114E+00 -3.07571825E+00  0.00000000E+00 -4.46876767E+00  1.53666860E+00
  0.00000000E+00  3.59885114E+00  3.07571825E+00  0.00000000E+00 -1.14088436E+00
  5.42336282E+00  0.00000000E+00  5.09243398E-01  7.35471962E+00  0.00000000E+00
  2.56090016E+00  7.07137409E+00  0.00000000E+00 -3.17833038E+00  5.83927265E+00
  0.00000000E+00 -1.39896426E-01  9.32196232E+00  0.00000000E+00  1.14088436E+00
 -5.42336282E+00  0.00000000E+00  3.17833038E+00 -5.83927265E+00  0.00000000E+00
 -5.09243398E-01 -7.35471962E+00  0.00000000E+00 -2.56090016E+00 -7.07137409E+00
  0.00000000E+00  1.39896426E-01 -9.32196232E+00  0.00000000E+00  2.50469971E+00
 -8.63661535E-01  0.00000000E+00  4.46876767E+00 -1.53666860E+00  0.00000000E+00
Force Field                                I                0
Int Atom Types                             I   N=          20
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0
MM charges                                 R   N=          20
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
Integer atomic weights                     I   N=          20
          12          12          12          12          12           1
           1           1          12          12           1           1
           1          12           1          12           1           1
          12           1
Real atomic weights                        R   N=          20
  1.20000000E+01  1.20000000E+01  1.20000000E+01  1.20000000E+01  1.20000000E+01
  1.00782504E+00  1.00782504E+00  1.00782504E+00  1.20000000E+01  1.20000000E+01
  1.00782504E+00  1.00782504E+00  1.00782504E+00  1.20000000E+01  1.00782504E+00
  1.20000000E+01  1.00782504E+00  1.00782504E+00  1.20000000E+01  1.00782504E+00
Atom fragment info                         I   N=          20
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0
Atom residue num                           I   N=          20
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0
Nuclear spins                              I   N=          20
           0           0           0           0           0           1
           1           1           0           0           1           1
           1           0           1           0           1           1
           0           1
Nuclear ZEff                               R   N=          20
 -3.60000000E+00 -3.60000000E+00 -3.60000000E+00 -3.60000000E+00 -3.60000000E+00
 -1.00000000E+00 -1.00000000E+00 -1.00000000E+00 -3.60000000E+00 -3.60000000E+00
 -1.00000000E+00 -1.00000000E+00 -1.00000000E+00 -3.60000000E+00 -1.00000000E+00
 -3.60000000E+00 -1.00000000E+00 -1.00000000E+00 -3.60000000E+00 -1.00000000E+00
Nuclear QMom                               R   N=          20
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
Nuclear GFac                               R   N=          20
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  2.79284600E+00  2.79284600E+00  2.79284600E+00  0.00000000E+00  0.00000000E+00
  2.79284600E+00  2.79284600E+00  2.79284600E+00  0.00000000E+00  2.79284600E+00
  0.00000000E+00  2.79284600E+00  2.79284600E+00  0.00000000E+00  2.79284600E+00
MicOpt                                     I   N=          20
          -1          -1          -1          -1          -1          -1
          -1          -1          -1          -1          -1          -1
          -1          -1          -1          -1          -1          -1
          -1          -1
Number of contracted shells                I               30
Number of primitive shells                 I               90
Pure/Cartesian d shells                    I                0
Pure/Cartesian f shells                    I                0
Highest angular momentum                   I                1
Largest degree of contraction              I                3
Shell types                                I   N=          30
           0          -1           0          -1           0          -1
           0          -1           0          -1           0           0
           0           0          -1           0          -1           0
           0           0           0          -1           0           0
          -1           0           0           0          -1           0
Number of primitives per shell             I   N=          30
           3           3           3           3           3           3
           3           3           3           3           3           3
           3           3           3           3           3           3
           3           3           3           3           3           3
           3           3           3           3           3           3
Shell to atom map                          I   N=          30
           1           1           2           2           3           3
           4           4           5           5           6           7
           8           9           9          10          10          11
          12          13          14          14          15          16
          16          17          18          19          19          20
Primitive exponents                        R   N=          90
  7.16168373E+01  1.30450963E+01  3.53051216E+00  2.94124936E+00  6.83483096E-01
  2.22289916E-01  7.16168373E+01  1.30450963E+01  3.53051216E+00  2.94124936E+00
  6.83483096E-01  2.22289916E-01  7.16168373E+01  1.30450963E+01  3.53051216E+00
  2.94124936E+00  6.83483096E-01  2.22289916E-01  7.16168373E+01  1.30450963E+01
  3.53051216E+00  2.94124936E+00  6.83483096E-01  2.22289916E-01  7.16168373E+01
  1.30450963E+01  3.53051216E+00  2.94124936E+00  6.83483096E-01  2.22289916E-01
  3.42525091E+00  6.23913730E-01  1.68855404E-01  3.42525091E+00  6.23913730E-01
  1.68855404E-01  3.42525091E+00  6.23913730E-01  1.68855404E-01  7.16168373E+01
  1.30450963E+01  3.53051216E+00  2.94124936E+00  6.83483096E-01  2.22289916E-01
  7.16168373E+01  1.30450963E+01  3.53051216E+00  2.94124936E+00  6.83483096E-01
  2.22289916E-01  3.42525091E+00  6.23913730E-01  1.68855404E-01  3.42525091E+00
  6.23913730E-01  1.68855404E-01  3.42525091E+00  6.23913730E-01  1.68855404E-01
  7.16168373E+01  1.30450963E+01  3.53051216E+00  2.94124936E+00  6.83483096E-01
  2.22289916E-01  3.42525091E+00  6.23913730E-01  1.68855404E-01  7.16168373E+01
  1.30450963E+01  3.53051216E+00  2.94124936E+00  6.83483096E-01  2.22289916E-01
  3.42525091E+00  6.23913730E-01  1.68855404E-01  3.42525091E+00  6.23913730E-01
  1.68855404E-01  7.16168373E+01  1.30450963E+01  3.53051216E+00  2.94124936E+00
  6.83483096E-01  2.22289916E-01  3.42525091E+00  6.23913730E-01  1.68855404E-01
Contraction coefficients                   R   N=          90
  1.54328967E-01  5.35328142E-01  4.44634542E-01 -9.99672292E-02  3.99512826E-01
  7.00115469E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01 -9.99672292E-02
  3.99512826E-01  7.00115469E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01
 -9.99672292E-02  3.99512826E-01  7.00115469E-01  1.54328967E-01  5.35328142E-01
  4.44634542E-01 -9.99672292E-02  3.99512826E-01  7.00115469E-01  1.54328967E-01
  5.35328142E-01  4.44634542E-01 -9.99672292E-02  3.99512826E-01  7.00115469E-01
  1.54328967E-01  5.35328142E-01  4.44634542E-01  1.54328967E-01  5.35328142E-01
  4.44634542E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01  1.54328967E-01
  5.35328142E-01  4.44634542E-01 -9.99672292E-02  3.99512826E-01  7.00115469E-01
  1.54328967E-01  5.35328142E-01  4.44634542E-01 -9.99672292E-02  3.99512826E-01
  7.00115469E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01  1.54328967E-01
  5.35328142E-01  4.44634542E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01
  1.54328967E-01  5.35328142E-01  4.44634542E-01 -9.99672292E-02  3.99512826E-01
  7.00115469E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01  1.54328967E-01
  5.35328142E-01  4.44634542E-01 -9.99672292E-02  3.99512826E-01  7.00115469E-01
  1.54328967E-01  5.35328142E-01  4.44634542E-01  1.54328967E-01  5.35328142E-01
  4.44634542E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01 -9.99672292E-02
  3.99512826E-01  7.00115469E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01
P(S=P) Contraction coefficients            R   N=          90
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.55916275E-01  6.07683719E-01
  3.91957393E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.55916275E-01
  6.07683719E-01  3.91957393E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00
  1.55916275E-01  6.07683719E-01  3.91957393E-01  0.00000000E+00  0.00000000E+00
  0.00000000E+00  1.55916275E-01  6.07683719E-01  3.91957393E-01  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.55916275E-01  6.07683719E-01  3.91957393E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.55916275E-01  6.07683719E-01  3.91957393E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.55916275E-01  6.07683719E-01
  3.91957393E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.55916275E-01  6.07683719E-01
  3.91957393E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.55916275E-01  6.07683719E-01  3.91957393E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.55916275E-01
  6.07683719E-01  3.91957393E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00
Coordinates of each shell                  R   N=          90
  5.09243398E-01 -2.66468392E+00  0.00000000E+00  5.09243398E-01 -2.66468392E+00
  0.00000000E+00 -2.01208590E+00 -1.73987085E+00  0.00000000E+00 -2.01208590E+00
 -1.73987085E+00  0.00000000E+00 -2.50469971E+00  8.63661535E-01  0.00000000E+00
 -2.50469971E+00  8.63661535E-01  0.00000000E+00 -5.09243398E-01  2.66468392E+00
  0.00000000E+00 -5.09243398E-01  2.66468392E+00  0.00000000E+00  2.01208590E+00
  1.73987085E+00  0.00000000E+00  2.01208590E+00  1.73987085E+00  0.00000000E+00
 -3.59885114E+00 -3.07571825E+00  0.00000000E+00 -4.46876767E+00  1.53666860E+00
  0.00000000E+00  3.59885114E+00  3.07571825E+00  0.00000000E+00 -1.14088436E+00
  5.42336282E+00  0.00000000E+00 -1.14088436E+00  5.42336282E+00  0.00000000E+00
  5.09243398E-01  7.35471962E+00  0.00000000E+00  5.09243398E-01  7.35471962E+00
  0.00000000E+00  2.56090016E+00  7.07137409E+00  0.00000000E+00 -3.17833038E+00
  5.83927265E+00  0.00000000E+00 -1.39896426E-01  9.32196232E+00  0.00000000E+00
  1.14088436E+00 -5.42336282E+00  0.00000000E+00  1.14088436E+00 -5.42336282E+00
  0.00000000E+00  3.17833038E+00 -5.83927265E+00  0.00000000E+00 -5.09243398E-01
 -7.35471962E+00  0.00000000E+00 -5.09243398E-01 -7.35471962E+00  0.00000000E+00
 -2.56090016E+00 -7.07137409E+00  0.00000000E+00  1.39896426E-01 -9.32196232E+00
  0.00000000E+00  2.50469971E+00 -8.63661535E-01  0.00000000E+00  2.50469971E+00
 -8.63661535E-01  0.00000000E+00  4.46876767E+00 -1.53666860E+00  0.00000000E+00
Constraint Structure                       R   N=          60
  5.09243398E-01 -2.66468392E+00  0.00000000E+00 -2.01208590E+00 -1.73987085E+00
  0.00000000E+00 -2.50469971E+00  8.63661535E-01  0.00000000E+00 -5.09243398E-01
  2.66468392E+00  0.00000000E+00  2.01208590E+00  1.73987085E+00  0.00000000E+00
 -3.59885114E+00 -3.07571825E+00  0.00000000E+00 -4.46876767E+00  1.53666860E+00
  0.00000000E+00  3.59885114E+00  3.07571825E+00  0.00000000E+00 -1.14088436E+00
  5.42336282E+00  0.00000000E+00  5.09243398E-01  7.35471962E+00  0.00000000E+00
  2.56090016E+00  7.07137409E+00  0.00000000E+00 -3.17833038E+00  5.83927265E+00
  0.00000000E+00 -1.39896426E-01  9.32196232E+00  0.00000000E+00  1.14088436E+00
 -5.42336282E+00  0.00000000E+00  3.17833038E+00 -5.83927265E+00  0.00000000E+00
 -5.09243398E-01 -7.35471962E+00  0.00000000E+00 -2.56090016E+00 -7.07137409E+00
  0.00000000E+00  1.39896426E-01 -9.32196232E+00  0.00000000E+00  2.50469971E+00
 -8.63661535E-01  0.00000000E+00  4.46876767E+00 -1.53666860E+00  0.00000000E+00
Num ILSW                                   I              100
ILSW                                       I   N=         100
           0           0           0           0           2           0
           0           0           0           0         402          -1
           0           0           0           0           0           0
           0           0           0           0           0           0
           1           0           0           0           0           0
           0           0      100000           0          -1           0
           0           0           0           0           0           0
           0           0           0           1           0           0
           0           0           1           0           0           0
           0           0           4          40           0           0
           0           0           5           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0
Num RLSW                                   I               40
RLSW                                       R   N=          40
  8.00000000E-01  7.20000000E-01  1.00000000E+00  8.10000000E-01  2.00000000E-01
  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00  1.00000000E+00
MxBond                                     I                3
NBond                                      I   N=          20
           3           3           3           3           3           1
           1           1           3           3           1           1
           1           3           1           3           1           1
           3           1
IBond                                      I   N=          60
           2          14          19           1           3           6
           2           4           7           3           5           9
           4           8          19           2           0           0
           3           0           0           5           0           0
           4          10          12           9          11          13
          10           0           0           9           0           0
          10           0           0           1          15          16
          14           0           0          14          17          18
          16           0           0          16           0           0
           1           5          20          19           0           0
RBond                                      R   N=          60
  1.50000000E+00  1.00000000E+00  1.50000000E+00  1.50000000E+00  1.50000000E+00
  1.00000000E+00  1.50000000E+00  1.50000000E+00  1.00000000E+00  1.50000000E+00
  1.50000000E+00  1.00000000E+00  1.50000000E+00  1.00000000E+00  1.50000000E+00
  1.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00
  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00
  2.00000000E+00  1.00000000E+00  2.00000000E+00  1.00000000E+00  1.00000000E+00
  1.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00
  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00
  1.00000000E+00  2.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  2.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00  0.00000000E+00
  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00  1.50000000E+00
  1.50000000E+00  1.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
Virial Ratio                               R      2.017190243892651E+00
SCF Energy                                 R     -3.823082665788634E+02
Total Energy                               R     -3.823082665788634E+02
RMS Density                                R      3.542899300386534E-09
External E-field                           R   N=          35
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
IOpCl                                      I                0
IROHF                                      I                0
Alpha Orbital Energies                     R   N=          60
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  6.39713913E-01  6.82798233E-01  7.17249408E-01  7.79560422E-01  7.94579696E-01
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 -9.36214448E-02  6.14008953E-02 -4.65595903E-01  5.97567717E-01  4.77429079E-01
  0.00000000E+00 -1.73729953E-01 -7.10388930E-02  5.36158510E-01  3.80193728E-01
  5.50047998E-01  0.00000000E+00  1.13284349E-02  9.36214448E-02 -4.64031012E-02
  3.35439906E-01 -1.96282626E-01 -1.32422574E-01  0.00000000E+00 -1.81957448E-02
 -4.98601221E-03  3.29873076E-02  7.00276277E-01  6.58822613E-02  0.00000000E+00
 -7.07964182E-03  4.80660966E-02  4.46416270E-01 -4.02626261E-01  0.00000000E+00
  7.08519295E-03 -4.89812046E-02 -2.24620101E-01 -5.41557003E-01  0.00000000E+00
 -4.98601221E-03  3.29873076E-02 -7.00276277E-01 -6.58822613E-02  0.00000000E+00
 -7.07964182E-03  4.80660966E-02 -4.46416270E-01  4.02626261E-01  0.00000000E+00
  4.17359096E-02 -6.60114795E-03  4.17359096E-02 -2.70684324E-02  2.15385255E-01
  4.21080653E-01  3.30656096E-01  0.00000000E+00  4.14829949E-02 -3.24489210E-01
  2.47429137E-01  3.24889517E-01  0.00000000E+00 -3.39920259E-02  1.58359586E-01
 -4.71829334E-02 -2.70684324E-02  2.15385255E-01 -4.21080653E-01 -3.30656096E-01
  0.00000000E+00  1.58359586E-01  4.14829949E-02 -3.24489210E-01 -2.47429137E-01
 -3.24889517E-01  0.00000000E+00 -3.39920259E-02 -4.71829334E-02  7.08519295E-03
 -4.89812046E-02  2.24620101E-01  5.41557003E-01  0.00000000E+00 -6.60114795E-03
 -4.43902563E-02  3.30321678E-01 -1.86532364E-01  6.53444634E-01  0.00000000E+00
  5.72776575E-02 -4.18030877E-01 -4.91930333E-01 -4.00905175E-01  0.00000000E+00
 -5.13597925E-02  3.72350668E-01  5.71782040E-01 -2.27203757E-01  0.00000000E+00
  4.43902563E-02 -3.30321678E-01 -1.86532364E-01  6.53444634E-01  0.00000000E+00
 -5.72776575E-02  4.18030877E-01 -4.91930333E-01 -4.00905175E-01  0.00000000E+00
 -2.75587546E-01  2.69648802E-01  2.75587546E-01  1.25417739E-02 -7.68319584E-02
 -2.55325260E-02  3.62516633E-01  0.00000000E+00  1.01207206E-02 -8.59250528E-02
  2.20134415E-01  1.10129158E-02  0.00000000E+00 -1.35639249E-01 -4.54918200E-02
  6.41788126E-02 -1.25417739E-02  7.68319584E-02 -2.55325260E-02  3.62516633E-01
  0.00000000E+00  4.54918200E-02 -1.01207206E-02  8.59250528E-02  2.20134415E-01
  1.10129158E-02  0.00000000E+00  1.35639249E-01 -6.41788126E-02  5.13597925E-02
 -3.72350668E-01  5.71782040E-01 -2.27203757E-01  0.00000000E+00 -2.69648802E-01
Total SCF Density                          R   N=        1830
  2.06611641E+00 -2.06251318E-01  8.42028709E-01  2.34970491E-04  3.43888003E-03
  6.03782273E-01  1.23097176E-03 -1.89626832E-02  2.97009585E-03  5.96751896E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  7.72475427E-01
  2.48336371E-02 -6.53067482E-02  1.07000057E-01 -3.58493533E-02  0.00000000E+00
  2.06661314E+00 -6.58598626E-02  9.14659591E-02 -2.74318614E-01  8.82374273E-02
  0.00000000E+00 -2.04098827E-01  8.26293922E-01 -1.05425334E-01  2.70565229E-01
 -4.15155129E-01  1.46401055E-01  0.00000000E+00  3.89018014E-03 -1.94821015E-02
  6.12008771E-01  3.97148175E-02 -9.75470861E-02  1.59241108E-01 -2.71520032E-02
  0.00000000E+00  3.39345870E-03 -2.02679479E-02  1.28873463E-02  6.08183076E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  4.72630746E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  7.98970744E-01
 -4.63728088E-03  1.44030063E-02 -1.57545924E-02  1.46949002E-02  0.00000000E+00
  2.54939043E-02 -6.67357185E-02  1.85531380E-02 -1.14065957E-01  0.00000000E+00
  2.06693262E+00  1.40854707E-02 -3.45971239E-02  5.16965278E-02 -5.92080056E-02
  0.00000000E+00 -6.66223775E-02  8.88132990E-02 -3.81073932E-02  2.90673714E-01
  0.00000000E+00 -2.05642554E-01  8.32476179E-01  1.41757511E-02 -5.97724512E-02
  4.94235000E-02 -1.72031738E-02  0.00000000E+00 -2.42969391E-02  7.04019033E-02
  4.14411354E-03  8.82692933E-02  0.00000000E+00  4.46922418E-03 -2.41092134E-02
  6.16343320E-01 -1.97396341E-02  6.83462842E-02 -5.87797386E-02  5.54122848E-02
  0.00000000E+00  1.13367807E-01 -2.86368590E-01  8.76377434E-02 -4.46037597E-01
  0.00000000E+00 -2.70455449E-03  1.62560898E-02 -7.84868926E-03  6.02489943E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00 -5.64105179E-02
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  5.30726650E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  7.98965917E-01
 -4.16951132E-03  1.46329182E-02 -2.39797803E-03  1.23071773E-02  0.00000000E+00
 -4.52361192E-03  1.36113908E-02  6.21072154E-03  2.30889870E-02  0.00000000E+00
  2.45985827E-02 -6.51833961E-02 -8.36803649E-02 -7.47632335E-02  0.00000000E+00
  2.06611641E+00  1.46329182E-02 -5.09721252E-02  9.36110346E-03 -4.61062621E-02
  0.00000000E+00  1.38461614E-02 -3.27529003E-02 -3.14526623E-02 -8.31041399E-02
  0.00000000E+00 -6.49531508E-02  9.09774509E-02  2.19397385E-01  1.87041593E-01
  0.00000000E+00 -2.06251318E-01  8.42028709E-01  2.39797803E-03 -9.36110346E-03
 -5.46297690E-02 -1.82489244E-02  0.00000000E+00 -9.08634307E-03  2.56809474E-02
  2.49529423E-02  4.62043146E-02  0.00000000E+00  8.53608823E-02 -2.20204088E-01
 -2.56687153E-01 -2.47953983E-01  0.00000000E+00 -2.34970491E-04 -3.43888003E-03
  6.03782273E-01 -1.23071773E-02  4.61062621E-02 -1.82489244E-02  3.88720222E-02
  0.00000000E+00 -1.99352989E-02  7.52829360E-02  6.14140701E-03  8.34512429E-02
  0.00000000E+00  7.46330935E-02 -1.90540919E-01 -2.40143434E-01 -1.91165084E-01
  0.00000000E+00 -1.23097176E-03  1.89626832E-02  2.97009585E-03  5.96751896E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00 -3.15453941E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00 -5.86154585E-02
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  4.71440370E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  7.72475427E-01
 -4.52361192E-03  1.38461614E-02  9.08634307E-03  1.99352989E-02  0.00000000E+00
 -4.15781970E-03  1.42216795E-02  9.11275358E-03  7.58806528E-03  0.00000000E+00
 -5.16350909E-03  1.75477987E-02  2.26335361E-02  7.49210174E-03  0.00000000E+00
  2.48336371E-02 -6.53067482E-02 -1.07000057E-01  3.58493533E-02  0.00000000E+00
  2.06661314E+00  1.36113908E-02 -3.27529003E-02 -2.56809474E-02 -7.52829360E-02
  0.00000000E+00  1.42216795E-02 -4.77859901E-02 -3.40717506E-02 -2.71994736E-02
  0.00000000E+00  1.76235810E-02 -5.05183121E-02 -8.89674439E-02 -2.23877567E-02
  0.00000000E+00 -6.58598626E-02  9.14659591E-02  2.74318614E-01 -8.82374273E-02
  0.00000000E+00 -2.04098827E-01  8.26293922E-01 -6.21072154E-03  3.14526623E-02
  2.49529423E-02  6.14140701E-03  0.00000000E+00 -9.11275358E-03  3.40717506E-02
  8.13059473E-04  4.34120205E-02  0.00000000E+00 -2.42054754E-02  9.25956058E-02
  8.94460029E-02  4.32094509E-02  0.00000000E+00  1.05425334E-01 -2.70565229E-01
 -4.15155129E-01  1.46401055E-01  0.00000000E+00 -3.89018014E-03  1.94821015E-02
  6.12008771E-01 -2.30889870E-02  8.31041399E-02  4.62043146E-02  8.34512429E-02
  0.00000000E+00 -7.58806528E-03  2.71994736E-02  4.34120205E-02 -1.10083870E-02
  0.00000000E+00 -1.67744667E-03  1.33080203E-02 -1.05132595E-02  1.26447761E-02
  0.00000000E+00 -3.97148175E-02  9.75470861E-02  1.59241108E-01 -2.71520032E-02
  0.00000000E+00 -3.39345870E-03  2.02679479E-02  1.28873463E-02  6.08183076E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00 -5.86154585E-02
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00 -3.20617708E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00 -4.99022747E-02
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  4.72630746E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  7.98970744E-01
  2.61116192E-02 -9.73979436E-02  1.30461097E-01  1.28259416E-02  0.00000000E+00
 -1.13957928E-01  2.87389448E-01 -4.19991290E-01 -3.53499886E-01  0.00000000E+00
  2.81951782E-02 -1.04059308E-01  3.49200057E-02  1.19579878E-01  0.00000000E+00
 -1.81816158E-02  7.03200193E-02 -7.29349095E-02 -6.70287442E-02  0.00000000E+00
 -2.18798446E-03  7.31757951E-03 -2.66013852E-03 -6.58917997E-03  0.00000000E+00
  5.86985449E-01 -1.83891366E-02  7.07535212E-02 -9.23707585E-02  3.45757718E-02
  0.00000000E+00  2.83695578E-02 -1.04621672E-01  7.73215077E-02 -9.80277109E-02
  0.00000000E+00 -1.13774413E-01  2.87587145E-01 -5.20610715E-01  1.76108015E-01
  0.00000000E+00  2.67758624E-02 -1.00858633E-01  1.26968845E-01  3.78533094E-02
  0.00000000E+00 -1.80033222E-02  6.85480360E-02 -9.08521591E-02  2.74859330E-02
  0.00000000E+00 -7.49449685E-02  5.88890462E-01 -1.81816158E-02  7.03200193E-02
  7.29349095E-02  6.70287442E-02  0.00000000E+00 -2.18798446E-03  7.31757951E-03
  2.66013852E-03  6.58917997E-03  0.00000000E+00 -1.81623894E-02  6.93034486E-02
  7.51695912E-02  6.02811989E-02  0.00000000E+00  2.61116192E-02 -9.73979436E-02
 -1.30461097E-01 -1.28259416E-02  0.00000000E+00 -1.13957928E-01  2.87389448E-01
  4.19991290E-01  3.53499886E-01  0.00000000E+00  1.86251100E-02 -4.79005492E-02
  5.86985449E-01  6.16726391E-05 -3.27793786E-05 -5.27973155E-04 -7.87964474E-04
  0.00000000E+00  3.31154863E-03 -1.23408203E-02  2.52967823E-03 -1.63742952E-02
  0.00000000E+00 -5.96855765E-03  2.15566871E-02  3.72053005E-03  2.38264099E-02
  0.00000000E+00  2.16406206E-02 -5.94309286E-02  2.19986528E-02 -1.03358753E-01
  0.00000000E+00 -5.00989642E-03  1.66968209E-02 -1.38688285E-02  1.78046951E-02
  0.00000000E+00  6.04102707E-03  1.47319550E-02  1.13354129E-02  2.06713959E+00
  6.06469363E-04 -2.86409979E-03  2.59955133E-03 -2.99398902E-04  0.00000000E+00
 -1.32230360E-02  4.64910507E-02 -9.92436478E-03  6.97828051E-02  0.00000000E+00
  2.31120274E-02 -7.64759719E-02 -1.21321106E-02 -1.01415819E-01  0.00000000E+00
 -5.96545436E-02  1.00199075E-01 -5.59799152E-02  2.85744680E-01  0.00000000E+00
  1.70327004E-02 -5.11522382E-02  4.72310060E-02 -7.27638967E-02  0.00000000E+00
 -2.66428104E-02 -5.71005372E-02 -4.51354646E-02 -2.05747132E-01  8.31679349E-01
 -1.54612741E-03  6.64144283E-03 -3.82270929E-03  4.04705618E-03  0.00000000E+00
  3.29545358E-04 -3.25083029E-03  3.59113123E-03  4.56409627E-03  0.00000000E+00
 -9.32142117E-03  4.28808549E-02 -1.51096991E-02  1.02271094E-02  0.00000000E+00
 -2.95578274E-02  9.73422592E-02 -1.46515692E-02  1.30632286E-01  0.00000000E+00
  1.51822799E-02 -6.23975946E-02  4.51503470E-02 -2.77719895E-02  0.00000000E+00
 -8.50734341E-03  6.22110223E-03 -2.62596781E-02  4.40790517E-03 -3.23400228E-02
  6.24118352E-01  1.98060312E-03 -7.94776665E-03  2.31901172E-03 -7.83514549E-03
  0.00000000E+00  1.36461562E-02 -5.45312215E-02  1.15669068E-02 -6.81548629E-02
  0.00000000E+00 -2.22963116E-02  8.52834425E-02  4.96281215E-02  8.42896936E-02
  0.00000000E+00  1.02621947E-01 -2.83227871E-01  9.21878946E-02 -4.42596131E-01
  0.00000000E+00 -1.79521334E-02  6.43105984E-02 -6.52079964E-02  5.87448411E-02
  0.00000000E+00  3.34268814E-02  5.12243566E-02  5.03921667E-02 -1.82120384E-04
 -2.39368247E-02  2.24983899E-03  5.90916323E-01  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.31857215E-02  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -3.85975523E-02  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -4.12737873E-02  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.92041937E-01  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -4.70378668E-02  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  7.86601837E-01 -3.25645272E-04  1.32237866E-03  5.30004918E-04  1.22385491E-03
  0.00000000E+00 -1.35379681E-03  5.40477422E-03 -5.08054859E-04  6.21042512E-03
  0.00000000E+00  3.35753658E-03 -1.28447446E-02 -6.54725668E-03 -1.12060547E-02
  0.00000000E+00 -4.78977118E-03  1.56660364E-02  5.25307817E-03  2.21103214E-02
  0.00000000E+00 -2.99102055E-03  1.02472774E-02 -8.18646425E-04  9.20410494E-03
  0.00000000E+00 -3.26973853E-03 -2.67424265E-03  4.17560165E-03  2.88796200E-02
 -7.41665312E-02 -8.45620730E-02 -8.97325436E-02  0.00000000E+00  2.06711381E+00
  1.17029075E-03 -4.55583582E-03 -2.23574883E-03 -4.63415710E-03  0.00000000E+00
  5.10914644E-03 -1.91906250E-02  7.91549497E-04 -2.48623131E-02  0.00000000E+00
 -1.20472462E-02  4.27173430E-02  2.36215673E-02  4.49071174E-02  0.00000000E+00
  1.30539823E-02 -3.69197562E-02 -2.82989042E-02 -7.05624927E-02  0.00000000E+00
  1.00310395E-02 -3.45454304E-02  5.01118895E-03 -3.48794713E-02  0.00000000E+00
  1.32165903E-02  7.99457890E-03 -1.41829015E-02 -7.42011272E-02  9.24862554E-02
  2.11510698E-01  2.04859958E-01  0.00000000E+00 -2.03688074E-01  8.19141473E-01
  1.73365144E-03 -7.33335557E-03 -6.86652636E-03 -6.01366866E-03  0.00000000E+00
 -3.03630892E-03  1.17997435E-02 -1.31088517E-03  1.64745705E-02  0.00000000E+00
  8.43137622E-03 -3.33549910E-02 -1.54172430E-02 -3.11221072E-02  0.00000000E+00
 -9.04001227E-04 -5.93958826E-03  9.77975388E-03  2.52784974E-02  0.00000000E+00
  4.22068477E-03 -1.56102423E-02 -4.00273529E-02 -2.41478788E-02  0.00000000E+00
 -9.41613526E-03 -9.01015296E-04 -2.41309866E-02  7.70341319E-02 -1.80992768E-01
 -1.78906904E-01 -2.31955877E-01  0.00000000E+00 -3.35826152E-03  2.73408421E-02
  6.20756189E-01 -6.56739625E-04  3.38494703E-03 -1.01104654E-03  1.78840909E-03
  0.00000000E+00 -4.84214133E-03  2.09611984E-02 -3.91002129E-03  2.17488043E-02
  0.00000000E+00  1.16735037E-02 -4.78551964E-02 -2.89178216E-02 -3.58443591E-02
  0.00000000E+00 -2.23324205E-02  8.93993680E-02  3.66096146E-03  9.44152839E-02
  0.00000000E+00 -7.82556542E-03  2.97222549E-02 -1.02202754E-02  2.05027038E-02
  0.00000000E+00 -1.29164474E-02 -1.14113837E-02 -1.05940064E-02  9.60737558E-02
 -2.35082872E-01 -2.44121057E-01 -2.34885790E-01  0.00000000E+00 -4.09788780E-03
  3.47626529E-02 -1.13785956E-02  6.14351531E-01  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.66140815E-01  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.01089028E-02  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -2.03129486E-01  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -7.13010937E-02  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -1.95585363E-01  0.00000000E+00  0.00000000E+00
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  0.00000000E+00 -1.41757511E-02  5.97724512E-02  4.94235000E-02 -1.72031738E-02
  0.00000000E+00  2.42969391E-02 -7.04019033E-02  4.14411354E-03  8.82692933E-02
  0.00000000E+00 -7.51695912E-02 -6.05239467E-03 -3.49200057E-02  3.73239244E-03
 -1.59351973E-02 -2.16832259E-03  1.51931032E-02  0.00000000E+00  6.77412076E-04
 -2.71521284E-03  5.05067329E-04  4.17490457E-03  0.00000000E+00 -1.20741277E-03
  9.74096357E-03  9.15207758E-05 -3.72053005E-03  1.21321106E-02 -1.51096991E-02
  4.96281215E-02  0.00000000E+00  1.75636979E-02  6.54725668E-03 -2.36215673E-02
 -1.54172430E-02 -2.89178216E-02  0.00000000E+00 -1.17590355E-02  2.45708826E-02
 -4.46922418E-03  2.41092134E-02  6.16343320E-01  7.47632335E-02 -1.87041593E-01
 -2.47953983E-01 -1.91165084E-01  0.00000000E+00 -7.49210174E-03  2.23877567E-02
  4.32094509E-02  1.26447761E-02  0.00000000E+00  3.76336928E-03 -1.32827928E-02
 -2.89927951E-02 -4.15182099E-02  0.00000000E+00  1.97396341E-02 -6.83462842E-02
 -5.87797386E-02  5.54122848E-02  0.00000000E+00 -1.13367807E-01  2.86368590E-01
  8.76377434E-02 -4.46037597E-01  0.00000000E+00 -6.02811989E-02  5.76950277E-03
 -1.19579878E-01 -1.47767353E-02  6.05897907E-02  2.56348004E-02 -6.82154541E-02
  0.00000000E+00 -2.75009729E-03  1.17920082E-02  1.47593912E-02 -1.69323007E-03
  0.00000000E+00 -7.19293316E-03 -3.09173763E-02  3.98076400E-03 -2.38264099E-02
  1.01415819E-01  1.02271094E-02  8.42896936E-02  0.00000000E+00  4.16548472E-02
  1.12060547E-02 -4.49071174E-02 -3.11221072E-02 -3.58443591E-02  0.00000000E+00
 -4.57023864E-03  2.26802603E-02  2.70455449E-03 -1.62560898E-02 -7.84868926E-03
  6.02489943E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  4.71440370E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
 -4.99022747E-02  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
 -3.15644623E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
 -5.64105179E-02  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  5.30726650E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00 -4.79866390E-02  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.37853565E-02  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00 -4.12737873E-02  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -2.03129486E-01  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  7.98965917E-01
  2.67758624E-02 -1.00858633E-01 -1.26968845E-01 -3.78533094E-02  0.00000000E+00
 -1.80033222E-02  6.85480360E-02  9.08521591E-02 -2.74859330E-02  0.00000000E+00
 -2.47005930E-03  8.39795412E-03  6.05239467E-03 -5.76950277E-03  0.00000000E+00
 -1.83891366E-02  7.07535212E-02  9.23707585E-02 -3.45757718E-02  0.00000000E+00
  2.83695578E-02 -1.04621672E-01 -7.73215077E-02  9.80277109E-02  0.00000000E+00
 -4.79005492E-02  1.74884388E-02 -7.49449685E-02  6.55348585E-03 -2.68504315E-02
 -1.22191367E-02  3.33619753E-02  0.00000000E+00  1.59987443E-04 -1.87554714E-03
  5.85550616E-03  9.02056363E-04  0.00000000E+00  7.75983145E-03  2.46995049E-02
 -6.61872442E-03  1.47319550E-02 -5.71005372E-02 -6.22110223E-03 -5.12243566E-02
  0.00000000E+00  1.66286957E-02 -2.67424265E-03  7.99457890E-03  9.01015296E-04
  1.14113837E-02  0.00000000E+00  3.27136805E-03 -8.89742832E-03 -1.13774413E-01
  2.87587145E-01  5.20610715E-01 -1.76108015E-01  0.00000000E+00  5.88890462E-01
QEq coupling tensors                       R   N=         120
 -5.59471234E-02  1.02489700E-02 -7.96743980E-02  0.00000000E+00  0.00000000E+00
  1.35621521E-01 -8.03709358E-02  7.04231407E-03 -7.73769659E-02  0.00000000E+00
  0.00000000E+00  1.57747902E-01 -7.99336881E-02 -5.32954796E-03 -7.83979666E-02
  0.00000000E+00  0.00000000E+00  1.58331655E-01 -5.59471234E-02  1.02489700E-02
 -7.96743980E-02  0.00000000E+00  0.00000000E+00  1.35621521E-01 -8.03709358E-02
  7.04231407E-03 -7.73769659E-02  0.00000000E+00  0.00000000E+00  1.57747902E-01
 -1.12703275E-01 -2.14809356E-01 -4.02216179E-02  0.00000000E+00  0.00000000E+00
  1.52924893E-01 -2.45954588E-01  1.32583671E-01  9.41752244E-02  0.00000000E+00
  0.00000000E+00  1.51779364E-01 -1.12703275E-01 -2.14809356E-01 -4.02216179E-02
  0.00000000E+00  0.00000000E+00  1.52924893E-01 -5.32030715E-02  1.05812608E-02
 -1.00579580E-01  0.00000000E+00  0.00000000E+00  1.53782652E-01 -9.23301380E-02
 -1.06893735E-02 -9.56313692E-02  0.00000000E+00  0.00000000E+00  1.87961507E-01
 -2.87642499E-01  6.09265245E-02  1.34624727E-01  0.00000000E+00  0.00000000E+00
  1.53017771E-01 -2.71698303E-01  8.29337466E-02  1.21102449E-01  0.00000000E+00
  0.00000000E+00  1.50595853E-01  9.99576946E-02  1.30961742E-01 -2.52070548E-01
  0.00000000E+00  0.00000000E+00  1.52112853E-01 -5.32030715E-02  1.05812608E-02
 -1.00579580E-01  0.00000000E+00  0.00000000E+00  1.53782652E-01 -2.71698303E-01
  8.29337466E-02  1.21102449E-01  0.00000000E+00  0.00000000E+00  1.50595853E-01
 -9.23301380E-02 -1.06893735E-02 -9.56313692E-02  0.00000000E+00  0.00000000E+00
  1.87961507E-01 -2.87642499E-01  6.09265245E-02  1.34624727E-01  0.00000000E+00
  0.00000000E+00  1.53017771E-01  9.99576946E-02  1.30961742E-01 -2.52070548E-01
  0.00000000E+00  0.00000000E+00  1.52112853E-01 -7.99336881E-02 -5.32954796E-03
 -7.83979666E-02  0.00000000E+00  0.00000000E+00  1.58331655E-01 -2.45954588E-01
  1.32583671E-01  9.41752244E-02  0.00000000E+00  0.00000000E+00  1.51779364E-01
Mulliken Charges                           R   N=          20
 -4.51358520E-03 -7.71553479E-02 -7.66086059E-02 -4.51358520E-03 -7.71553479E-02
  7.92186466E-02  7.76901147E-02  7.92186466E-02 -7.63789420E-02 -1.54814173E-01
  7.63297980E-02  7.68866539E-02  7.93454411E-02 -7.63789420E-02  7.68866539E-02
 -1.54814173E-01  7.63297980E-02  7.93454411E-02 -7.66086059E-02  7.76901147E-02
ONIOM Charges                              I   N=          16
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0
ONIOM Multiplicities                       I   N=          16
           1           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0
Atom Layers                                I   N=          20
           1           1           1           1           1           1
           1           1           1           1           1           1
           1           1           1           1           1           1
           1           1
Atom Modifiers                             I   N=          20
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0
Force Field                                I                0
Int Atom Modified Types                    I   N=          20
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0
Link Atoms                                 I   N=          20
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0
Atom Modified MM Charges                   R   N=          20
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
Link Distances                             R   N=          80
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
Cartesian Gradient                         R   N=          60
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00