File: dvb_ir.fchk

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dvb_ir.out                                                              
Freq      RB3LYP                                                      STO-3G              
Number of atoms                            I               20
Info1-9                                    I   N=           9
          27          27           0           0           0         100
           6          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  4.93038066E-32 -2.01208590E+00 -1.73987085E+00
  0.00000000E+00 -2.50469971E+00  8.63661535E-01  2.46519033E-32 -5.09243398E-01
  2.66468392E+00 -4.93038066E-32  2.01208590E+00  1.73987085E+00  0.00000000E+00
 -3.59887004E+00 -3.07571825E+00  0.00000000E+00 -4.46876767E+00  1.53666860E+00
  0.00000000E+00  3.59887004E+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  5.83925375E+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 -5.83925375E+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
  1.96153422E-34 -5.09243398E-01  2.66468392E+00  1.96153422E-34  2.01208590E+00
  1.73987085E+00 -7.75027297E-34  2.01208590E+00  1.73987085E+00 -7.75027297E-34
 -3.59887004E+00 -3.07571825E+00  0.00000000E+00 -4.46876767E+00  1.53666860E+00
  0.00000000E+00  3.59887004E+00  3.07571825E+00 -1.38623431E-33 -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
  5.83925375E+00  0.00000000E+00 -1.39896426E-01  9.32196232E+00  0.00000000E+00
  1.14088436E+00 -5.42336282E+00 -4.39452670E-34  1.14088436E+00 -5.42336282E+00
 -4.39452670E-34  3.17833038E+00 -5.83925375E+00 -1.22424833E-33 -5.09243398E-01
 -7.35471962E+00  1.96153422E-34 -5.09243398E-01 -7.35471962E+00  1.96153422E-34
 -2.56090016E+00 -7.07137409E+00  9.86422862E-34  1.39896426E-01 -9.32196232E+00
 -5.38861430E-35  2.50469971E+00 -8.63661535E-01 -9.64775234E-34  2.50469971E+00
 -8.63661535E-01 -9.64775234E-34  4.46876767E+00 -1.53666860E+00 -1.72130669E-33
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  1.96153422E-34  2.01208590E+00  1.73987085E+00 -7.75027297E-34
 -3.59887004E+00 -3.07571825E+00  0.00000000E+00 -4.46876767E+00  1.53666860E+00
  0.00000000E+00  3.59887004E+00  3.07571825E+00 -1.38623431E-33 -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  5.83925375E+00
  0.00000000E+00 -1.39896426E-01  9.32196232E+00  0.00000000E+00  1.14088436E+00
 -5.42336282E+00 -4.39452670E-34  3.17833038E+00 -5.83925375E+00 -1.22424833E-33
 -5.09243398E-01 -7.35471962E+00  1.96153422E-34 -2.56090016E+00 -7.07137409E+00
  9.86422862E-34  1.39896426E-01 -9.32196232E+00 -5.38861430E-35  2.50469971E+00
 -8.63661535E-01 -9.64775234E-34  4.46876767E+00 -1.53666860E+00 -1.72130669E-33
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           1           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      2.017190263610999E+00
SCF Energy                                 R     -3.823082665785660E+02
Total Energy                               R     -3.823082665785660E+02
RMS Force                                  R      1.772489928371127E-05
RMS Density                                R      3.542885716582140E-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
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  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
 -1.00202093E+01 -1.00201619E+01 -1.00081158E+01 -1.00081148E+01 -1.00067889E+01
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  3.74226642E-02  9.03644940E-02  1.10613433E-01  1.82204610E-01  2.72527328E-01
  3.32226817E-01  3.40725283E-01  3.79362637E-01  3.81452988E-01  4.10966281E-01
  4.11948441E-01  4.26762502E-01  4.39641201E-01  4.52759049E-01  4.78260088E-01
  5.26244126E-01  5.45824116E-01  5.76009466E-01  5.99439501E-01  6.24983561E-01
  6.39714359E-01  6.82797144E-01  7.17249825E-01  7.79561104E-01  7.94578772E-01
Alpha MO coefficients                      R   N=        3600
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 -2.01349904E-02  1.50661283E-01 -4.57146600E-02  2.14265718E-01  0.00000000E+00
  1.05788384E-01  1.81926054E-02 -1.05788384E-01 -6.14001640E-02  4.65590772E-01
  5.97573461E-01  4.77424932E-01  0.00000000E+00  7.10386211E-02 -5.36156767E-01
  3.80189247E-01  5.50049879E-01  0.00000000E+00 -1.13262994E-02  1.73738941E-01
 -9.36242996E-02  6.14001640E-02 -4.65590772E-01  5.97573461E-01  4.77424932E-01
  0.00000000E+00 -1.73738941E-01 -7.10386211E-02  5.36156767E-01  3.80189247E-01
  5.50049879E-01  0.00000000E+00  1.13262994E-02  9.36242996E-02 -4.64032583E-02
  3.35440884E-01 -1.96286549E-01 -1.32421017E-01  0.00000000E+00 -1.81926054E-02
 -4.98602039E-03  3.29873568E-02  7.00275686E-01  6.58815169E-02  0.00000000E+00
 -7.07952659E-03  4.80655309E-02  4.46416946E-01 -4.02624743E-01  0.00000000E+00
  7.08513625E-03 -4.89808172E-02 -2.24620528E-01 -5.41555868E-01  0.00000000E+00
 -4.98602039E-03  3.29873568E-02 -7.00275686E-01 -6.58815169E-02  0.00000000E+00
 -7.07952659E-03  4.80655309E-02 -4.46416946E-01  4.02624743E-01  0.00000000E+00
  4.17379715E-02 -6.60229507E-03  4.17379715E-02 -2.70679862E-02  2.15382124E-01
  4.21083784E-01  3.30656309E-01  0.00000000E+00  4.14829604E-02 -3.24489197E-01
  2.47428224E-01  3.24890378E-01  0.00000000E+00 -3.39915800E-02  1.58364445E-01
 -4.71836623E-02 -2.70679862E-02  2.15382124E-01 -4.21083784E-01 -3.30656309E-01
  0.00000000E+00  1.58364445E-01  4.14829604E-02 -3.24489197E-01 -2.47428224E-01
 -3.24890378E-01  0.00000000E+00 -3.39915800E-02 -4.71836623E-02  7.08513625E-03
 -4.89808172E-02  2.24620528E-01  5.41555868E-01  0.00000000E+00 -6.60229507E-03
 -4.43904815E-02  3.30323113E-01 -1.86537912E-01  6.53444801E-01  0.00000000E+00
  5.72789237E-02 -4.18040790E-01 -4.91929087E-01 -4.00899726E-01  0.00000000E+00
 -5.13596183E-02  3.72348976E-01  5.71781812E-01 -2.27206050E-01  0.00000000E+00
  4.43904815E-02 -3.30323113E-01 -1.86537912E-01  6.53444801E-01  0.00000000E+00
 -5.72789237E-02  4.18040790E-01 -4.91929087E-01 -4.00899726E-01  0.00000000E+00
 -2.75578590E-01  2.69649611E-01  2.75578590E-01  1.25418051E-02 -7.68320011E-02
 -2.55280561E-02  3.62518001E-01  0.00000000E+00  1.01210879E-02 -8.59279030E-02
  2.20134810E-01  1.10150335E-02  0.00000000E+00 -1.35637602E-01 -4.54882081E-02
  6.41784452E-02 -1.25418051E-02  7.68320011E-02 -2.55280561E-02  3.62518001E-01
  0.00000000E+00  4.54882081E-02 -1.01210879E-02  8.59279030E-02  2.20134810E-01
  1.10150335E-02  0.00000000E+00  1.35637602E-01 -6.41784452E-02  5.13596183E-02
 -3.72348976E-01  5.71781812E-01 -2.27206050E-01  0.00000000E+00 -2.69649611E-01
Total SCF Density                          R   N=        1830
  2.06611642E+00 -2.06251371E-01  8.42028988E-01  2.34798196E-04  3.43962949E-03
  6.03781850E-01  1.23105033E-03 -1.89630180E-02  2.96988577E-03  5.96752471E-01
  2.26102438E-38  3.31224272E-37  5.81420773E-35  2.85989597E-37  7.72475603E-01
  2.48336757E-02 -6.53068663E-02  1.07000387E-01 -3.58493747E-02  1.03037625E-35
  2.06661315E+00 -6.58599219E-02  9.14660712E-02 -2.74319659E-01  8.82375905E-02
  0.00000000E+00 -2.04099408E-01  8.26296397E-01 -1.05425051E-01  2.70564063E-01
 -4.15153958E-01  1.46401414E-01  4.55126863E-35  3.89000723E-03 -1.94824375E-02
  6.12007844E-01  3.97149520E-02 -9.75477000E-02  1.59242113E-01 -2.71520471E-02
  0.00000000E+00  3.39352568E-03 -2.02690013E-02  1.28870907E-02  6.08182684E-01
 -1.01520632E-35  2.60543715E-35 -3.99778720E-35  1.40979434E-35  4.72630756E-01
  3.74594071E-37 -1.87609048E-36  5.89342117E-35  1.24098169E-36  7.98970040E-01
 -4.63728983E-03  1.44030451E-02 -1.57546647E-02  1.46949449E-02 -1.51711903E-36
  2.54938856E-02 -6.67355627E-02  1.85530592E-02 -1.14066047E-01  1.78659461E-36
  2.06693263E+00  1.40855009E-02 -3.45972261E-02  5.16968200E-02 -5.92081962E-02
  0.00000000E+00 -6.66222658E-02  8.88125452E-02 -3.81070212E-02  2.90674282E-01
  0.00000000E+00 -2.05642614E-01  8.32476461E-01  1.41757376E-02 -5.97723650E-02
  4.94234269E-02 -1.72032435E-02 -5.43210286E-36 -2.42968713E-02  7.04017385E-02
  4.14423980E-03  8.82694828E-02  5.11071201E-35  4.46921871E-03 -2.41091986E-02
  6.16343085E-01 -1.97396820E-02  6.83465094E-02 -5.87801838E-02  5.54124610E-02
  0.00000000E+00  1.13367749E-01 -2.86367984E-01  8.76375012E-02 -4.46037849E-01
  0.00000000E+00 -2.70445605E-03  1.62556348E-02 -7.84885354E-03  6.02490258E-01
  1.36507388E-36 -5.75586938E-36  4.75930289E-36 -1.65661209E-36 -5.64101812E-02
 -2.33970360E-36  6.77944081E-36  3.99075777E-37  8.50004201E-36  5.30726679E-01
  4.30370107E-37 -2.32163138E-36  5.93516801E-35 -7.55817103E-37  7.98966289E-01
 -4.16949168E-03  1.46328364E-02 -2.39797383E-03  1.23071453E-02 -2.30916481E-37
 -4.52361110E-03  1.36113243E-02  6.21075357E-03  2.30890225E-02  5.98073814E-37
  2.45985967E-02 -6.51834411E-02 -8.36803941E-02 -7.47633334E-02 -8.05812883E-36
  2.06611642E+00  1.46328364E-02 -5.09717972E-02  9.36111047E-03 -4.61061170E-02
  9.01442148E-37  1.38461464E-02 -3.27525957E-02 -3.14528291E-02 -8.31043527E-02
 -3.02879727E-36 -6.49532099E-02  9.09776376E-02  2.19397529E-01  1.87042050E-01
  2.11272135E-35 -2.06251371E-01  8.42028988E-01  2.39797383E-03 -9.36111047E-03
 -5.46293954E-02 -1.82487773E-02 -5.26061942E-36 -9.08636572E-03  2.56808134E-02
  2.49529903E-02  4.62044324E-02  2.40288556E-36  8.53608217E-02 -2.20203840E-01
 -2.56686870E-01 -2.47953971E-01 -2.47180465E-35 -2.34798196E-04 -3.43962949E-03
  6.03781850E-01 -1.23071453E-02  4.61061170E-02 -1.82487773E-02  3.88720436E-02
 -1.75729333E-36 -1.99353064E-02  7.52827358E-02  6.14145574E-03  8.34512486E-02
  5.91400676E-37  7.46330164E-02 -1.90540561E-01 -2.40143447E-01 -1.91165019E-01
 -2.31249728E-35 -1.23105033E-03  1.89630180E-02  2.96988577E-03  5.96752471E-01
  2.30916481E-37  0.00000000E+00 -3.03771135E-35  0.00000000E+00 -3.15453982E-01
 -8.74985191E-37  0.00000000E+00 -5.64447502E-36  0.00000000E+00 -5.86155798E-02
  8.21994813E-36  0.00000000E+00  4.53980524E-35  0.00000000E+00  4.71440330E-01
 -2.26102438E-38 -3.31224272E-37  5.81420773E-35  2.85989597E-37  7.72475603E-01
 -4.52361110E-03  1.38461464E-02  9.08636572E-03  1.99353064E-02  8.74985191E-37
 -4.15781932E-03  1.42216721E-02  9.11272842E-03  7.58806921E-03  8.77523827E-37
 -5.16353588E-03  1.75478855E-02  2.26336456E-02  7.49217136E-03  2.17954079E-36
  2.48336757E-02 -6.53068663E-02 -1.07000387E-01  3.58493747E-02 -1.03037625E-35
  2.06661315E+00  1.36113243E-02 -3.27525957E-02 -2.56808134E-02 -7.52827358E-02
 -2.47297238E-36  1.42216721E-02 -4.77859559E-02 -3.40716432E-02 -2.71994689E-02
 -3.28097989E-36  1.76236360E-02 -5.05184513E-02 -8.89677132E-02 -2.23878619E-02
 -8.56727915E-36 -6.58599219E-02  9.14660712E-02  2.74319659E-01 -8.82375905E-02
  0.00000000E+00 -2.04099408E-01  8.26296397E-01 -6.21075357E-03  3.14528291E-02
  2.49529903E-02  6.14145574E-03  2.40288556E-36 -9.11272842E-03  3.40716432E-02
  8.13112447E-04  4.34120097E-02  7.82998805E-38 -2.42054230E-02  9.25954612E-02
  8.94455771E-02  4.32092832E-02  8.61329577E-36  1.05425051E-01 -2.70564063E-01
 -4.15153958E-01  1.46401414E-01  4.55126863E-35 -3.89000723E-03  1.94824375E-02
  6.12007844E-01 -2.30890225E-02  8.31043527E-02  4.62044324E-02  8.34512486E-02
  4.44932500E-36 -7.58806921E-03  2.71994689E-02  4.34120097E-02 -1.10083871E-02
  4.18042447E-36 -1.67737652E-03  1.33077716E-02 -1.05135580E-02  1.26446012E-02
 -1.01241881E-36 -3.97149520E-02  9.75477000E-02  1.59242113E-01 -2.71520471E-02
  0.00000000E+00 -3.39352568E-03  2.02690013E-02  1.28870907E-02  6.08182684E-01
 -5.98073814E-37  0.00000000E+00 -5.64447502E-36  0.00000000E+00 -5.86155798E-02
 -8.77523827E-37  0.00000000E+00 -3.08743551E-35  0.00000000E+00 -3.20617634E-01
 -2.33089745E-36  0.00000000E+00 -4.80543048E-36  0.00000000E+00 -4.99024432E-02
  1.01520632E-35 -2.60543715E-35 -3.99778720E-35  1.40979434E-35  4.72630756E-01
 -3.74594071E-37  1.87609048E-36  5.89342117E-35  1.24098169E-36  7.98970040E-01
  2.61115406E-02 -9.73973704E-02  1.30461216E-01  1.28258640E-02  1.25629581E-35
 -1.13957353E-01  2.87390412E-01 -4.19992485E-01 -3.53500013E-01 -4.04438052E-35
  2.81953785E-02 -1.04060280E-01  3.49197274E-02  1.19580560E-01  3.36264744E-36
 -1.81817008E-02  7.03204601E-02 -7.29352414E-02 -6.70289702E-02 -7.02340827E-36
 -2.18797164E-03  7.31759006E-03 -2.66019223E-03 -6.58921715E-03 -2.56167193E-37
  5.86987895E-01 -1.83890968E-02  7.07533479E-02 -9.23706014E-02  3.45759228E-02
 -8.89496536E-36  2.83695284E-02 -1.04621800E-01  7.73215103E-02 -9.80276323E-02
  7.44579060E-36 -1.13774454E-01  2.87587269E-01 -5.20610618E-01  1.76108053E-01
 -5.01329789E-35  2.67759122E-02 -1.00858844E-01  1.26968729E-01  3.78532947E-02
  1.22266439E-35 -1.80034028E-02  6.85482579E-02 -9.08518827E-02  2.74861518E-02
 -8.74871807E-36 -7.49452426E-02  5.88890580E-01 -1.81817008E-02  7.03204601E-02
  7.29352414E-02  6.70289702E-02  7.02340827E-36 -2.18797164E-03  7.31759006E-03
  2.66019223E-03  6.58921715E-03  2.56167193E-37 -1.81624398E-02  6.93036374E-02
  7.51699840E-02  6.02814532E-02  7.23860616E-36  2.61115406E-02 -9.73973704E-02
 -1.30461216E-01 -1.28258640E-02 -1.25629581E-35 -1.13957353E-01  2.87390412E-01
  4.19992485E-01  3.53500013E-01  4.04438052E-35  1.86253394E-02 -4.79008223E-02
  5.86987895E-01  6.16638608E-05 -3.27399580E-05 -5.27996701E-04 -7.87947788E-04
 -5.08442329E-38  3.31154742E-03 -1.23407866E-02  2.52966964E-03 -1.63743014E-02
  2.43598325E-37 -5.96856233E-03  2.15566854E-02  3.72046736E-03  2.38264691E-02
  3.58267974E-37  2.16405600E-02 -5.94306755E-02  2.19985405E-02 -1.03358483E-01
  2.11838240E-36 -5.00987356E-03  1.66967904E-02 -1.38687474E-02  1.78046331E-02
 -1.33551179E-36  6.04104059E-03  1.47320229E-02  1.13354037E-02  2.06713960E+00
  6.06508662E-04 -2.86426907E-03  2.59966732E-03 -2.99480103E-04  0.00000000E+00
 -1.32230237E-02  4.64908934E-02 -9.92433860E-03  6.97828527E-02  0.00000000E+00
  2.31120202E-02 -7.64758720E-02 -1.21317947E-02 -1.01415970E-01 -1.16824934E-36
 -5.96543561E-02  1.00198284E-01 -5.59795176E-02  2.85743669E-01  0.00000000E+00
  1.70326365E-02 -5.11522317E-02  4.72306644E-02 -7.27636954E-02  0.00000000E+00
 -2.66428820E-02 -5.71007595E-02 -4.51354700E-02 -2.05746983E-01  8.31678589E-01
 -1.54614910E-03  6.64152396E-03 -3.82276301E-03  4.04714364E-03  1.26972719E-36
  3.29553603E-04 -3.25085733E-03  3.59116004E-03  4.56413232E-03 -3.71680963E-36
 -9.32148409E-03  4.28810339E-02 -1.51100614E-02  1.02272886E-02 -1.45504599E-36
 -2.95581224E-02  9.73435947E-02 -1.46523027E-02  1.30633854E-01  1.84929658E-35
  1.51823513E-02 -6.23980128E-02  4.51508216E-02 -2.77721998E-02 -4.52956483E-36
 -8.50748354E-03  6.22128828E-03 -2.62596888E-02  4.40790532E-03 -3.23395930E-02
  6.24118349E-01  1.98057844E-03 -7.94764905E-03  2.31894954E-03 -7.83512958E-03
  0.00000000E+00  1.36461537E-02 -5.45311041E-02  1.15668718E-02 -6.81549054E-02
  0.00000000E+00 -2.22962669E-02  8.52832427E-02  4.96281074E-02  8.42896923E-02
  4.77901291E-36  1.02622005E-01 -2.83228087E-01  9.21880789E-02 -4.42596508E-01
  0.00000000E+00 -1.79521605E-02  6.43109312E-02 -6.52080638E-02  5.87449351E-02
  0.00000000E+00  3.34270320E-02  5.12244239E-02  5.03923303E-02 -1.82287998E-04
 -2.39363864E-02  2.24935623E-03  5.90916711E-01 -1.48888743E-37  6.39555493E-37
 -3.68118687E-37  3.89725756E-37  1.31856010E-02  3.17348576E-38 -3.13046173E-37
  3.45816133E-37  4.39509955E-37 -3.85975579E-02 -8.97626267E-37  0.00000000E+00
 -3.97451623E-36  0.00000000E+00 -4.12737362E-02 -2.84634365E-36  9.37384719E-36
 -1.41096543E-36  1.25795825E-35  1.92041936E-01  1.46200725E-36 -6.00871007E-36
  4.34786596E-36 -2.67436556E-36 -4.70376905E-02 -8.19240865E-37  5.99088270E-37
 -2.52871605E-36  4.24465843E-37 -3.11418953E-36  6.01004109E-35  2.16605126E-37
  7.86601853E-01 -3.25644822E-04  1.32237724E-03  5.30025787E-04  1.22385697E-03
  5.10396267E-38 -1.35379531E-03  5.40475722E-03 -5.08051824E-04  6.21042261E-03
 -4.89236110E-38  3.35752944E-03 -1.28447105E-02 -6.54722817E-03 -1.12060429E-02
 -6.30475139E-37 -4.78976649E-03  1.56660096E-02  5.25308616E-03  2.21103014E-02
  5.05853796E-37 -2.99101725E-03  1.02472781E-02 -8.18609672E-04  9.20410695E-03
 -7.88292440E-38 -3.26974415E-03 -2.67425956E-03  4.17563862E-03  2.88796644E-02
 -7.41667227E-02 -8.45617878E-02 -8.97325922E-02 -8.14300397E-36  2.06711379E+00
  1.17029296E-03 -4.55584619E-03 -2.23584029E-03 -4.63417821E-03  0.00000000E+00
  5.10913704E-03 -1.91905457E-02  7.91533850E-04 -2.48623059E-02  0.00000000E+00
 -1.20472100E-02  4.27171818E-02  2.36214581E-02  4.49070503E-02  2.27466367E-36
  1.30539733E-02 -3.69197021E-02 -2.82988957E-02 -7.05624579E-02  0.00000000E+00
  1.00310431E-02 -3.45454728E-02  5.01095771E-03 -3.48795314E-02  0.00000000E+00
  1.32166200E-02  7.99463856E-03 -1.41830731E-02 -7.42013162E-02  9.24870686E-02
  2.11509422E-01  2.04860138E-01  0.00000000E+00 -2.03687971E-01  8.19141050E-01
  1.73366389E-03 -7.33341435E-03 -6.86650853E-03 -6.01369619E-03  1.59987809E-35
 -3.03630746E-03  1.17997080E-02 -1.31087591E-03  1.64745818E-02  9.73462461E-37
  8.43136503E-03 -3.33549319E-02 -1.54171549E-02 -3.11221122E-02 -1.48461801E-36
 -9.03963113E-04 -5.93979666E-03  9.77974806E-03  2.52784154E-02 -6.86606951E-36
  4.22067994E-03 -1.56102490E-02 -4.00272955E-02 -2.41478641E-02 -1.88341840E-35
 -9.41617742E-03 -9.01058959E-04 -2.41313376E-02  7.70342901E-02 -1.80993548E-01
 -1.78905928E-01 -2.31956162E-01  7.31959752E-35 -3.35836108E-03  2.73412937E-02
  6.20755991E-01 -6.56732855E-04  3.38491683E-03 -1.01099073E-03  1.78840398E-03
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  2.54938856E-02 -6.67355627E-02 -1.85530592E-02  1.14066047E-01 -1.78659461E-36
 -1.81624398E-02 -2.47005234E-03  2.81953785E-02  2.96867165E-03 -1.12895025E-02
 -5.87122970E-03  1.32861843E-02 -5.65378854E-37  7.49125655E-04 -2.94140171E-03
 -2.64127767E-03  1.07461741E-03 -2.54345788E-37  6.27412142E-04  6.82813280E-03
 -4.74883477E-04 -5.96856233E-03  2.31120202E-02  9.32148409E-03  2.22962669E-02
  8.97626267E-37  1.39135793E-02  3.35752944E-03 -1.20472100E-02 -8.43136503E-03
 -1.16734762E-02 -8.11910920E-37 -3.01239403E-05  5.72320264E-03  2.06693263E+00
 -6.51834411E-02  9.09776376E-02  2.20203840E-01  1.90540561E-01  2.12048585E-35
  1.75478855E-02 -5.05184513E-02 -9.25954612E-02 -1.33077716E-02 -8.91661857E-36
  1.48463417E-02 -5.02150271E-02 -4.38267792E-02  1.32826928E-02 -4.22036532E-36
  1.40855009E-02 -3.45972261E-02 -5.16968200E-02  5.92081962E-02  0.00000000E+00
 -6.66222658E-02  8.88125452E-02  3.81070212E-02 -2.90674282E-01  0.00000000E+00
  6.93036374E-02  8.39791828E-03 -1.04060280E-01 -1.08247069E-02  3.86097204E-02
  2.52378766E-02 -5.17166118E-02  2.43031912E-36 -2.48287760E-03  9.53567810E-03
  1.03152855E-02 -2.86817006E-03  9.93325861E-37 -2.01875146E-03 -2.77678654E-02
  2.77333226E-03  2.15566854E-02 -7.64758720E-02 -4.28810339E-02 -8.52832427E-02
 -4.12929336E-36 -5.31120828E-02 -1.28447105E-02  4.27171818E-02  3.33549319E-02
  4.78550698E-02  3.21196310E-36 -2.52757592E-03 -2.31640910E-02 -2.05642614E-01
  8.32476461E-01  8.36803941E-02 -2.19397529E-01 -2.56686870E-01 -2.40143447E-01
 -2.47180465E-35 -2.26336456E-02  8.89677132E-02  8.94455771E-02 -1.05135580E-02
  8.61329577E-36 -1.17542476E-02  4.38267792E-02  2.95434033E-02 -2.89927288E-02
  2.84492626E-36 -1.41757376E-02  5.97723650E-02  4.94234269E-02 -1.72032435E-02
 -5.43210286E-36  2.42968713E-02 -7.04017385E-02  4.14423980E-03  8.82694828E-02
  5.11071201E-35 -7.51699840E-02 -6.05245018E-03 -3.49197274E-02  3.73238551E-03
 -1.59351548E-02 -2.16844717E-03  1.51931613E-02 -2.08813867E-37  6.77412018E-04
 -2.71520069E-03  5.05046097E-04  4.17490389E-03  4.86341701E-38 -1.20742999E-03
  9.74089668E-03  9.15117092E-05 -3.72046736E-03  1.21317947E-02 -1.51100614E-02
  4.96281074E-02 -1.45504599E-36  1.75637140E-02  6.54722817E-03 -2.36214581E-02
 -1.54171549E-02 -2.89177480E-02 -1.48461801E-36 -1.17591606E-02  2.45709293E-02
 -4.46921871E-03  2.41091986E-02  6.16343085E-01  7.47633334E-02 -1.87042050E-01
 -2.47953971E-01 -1.91165019E-01 -2.38770989E-35 -7.49217136E-03  2.23878619E-02
  4.32092832E-02  1.26446012E-02  4.16090262E-36  3.76334727E-03 -1.32826928E-02
 -2.89927288E-02 -4.15181265E-02 -2.79189823E-36  1.97396820E-02 -6.83465094E-02
 -5.87801838E-02  5.54124610E-02  0.00000000E+00 -1.13367749E-01  2.86367984E-01
  8.76375012E-02 -4.46037849E-01  0.00000000E+00 -6.02814532E-02  5.76943129E-03
 -1.19580560E-01 -1.47766940E-02  6.05896345E-02  2.56351094E-02 -6.82156094E-02
  2.46857124E-36 -2.75010688E-03  1.17920555E-02  1.47594468E-02 -1.69324204E-03
  1.42128303E-36 -7.19305194E-03 -3.09173474E-02  3.98079826E-03 -2.38264691E-02
  1.01415970E-01  1.02272886E-02  8.42896923E-02  9.84852073E-37  4.16549400E-02
  1.12060429E-02 -4.49070503E-02 -3.11221122E-02 -3.58443106E-02 -2.99695039E-36
 -4.57027942E-03  2.26802649E-02  2.70445605E-03 -1.62556348E-02 -7.84885354E-03
  6.02490258E-01  8.05812883E-36  0.00000000E+00  4.53980524E-35  0.00000000E+00
  4.71440330E-01 -2.17954079E-36  0.00000000E+00 -4.80543048E-36  0.00000000E+00
 -4.99024432E-02 -1.13189287E-36  0.00000000E+00 -3.03954733E-35  0.00000000E+00
 -3.15644641E-01 -1.36507388E-36  5.75586938E-36  4.75930289E-36 -1.65661209E-36
 -5.64101812E-02  2.33970360E-36 -6.77944081E-36  3.99075777E-37  8.50004201E-36
  5.30726679E-01 -7.23860616E-36 -5.82829752E-37 -3.36264744E-36  3.59415651E-37
  0.00000000E+00 -4.62094720E-36  0.00000000E+00 -4.79866593E-02  6.52324045E-38
  0.00000000E+00  1.32746946E-36  0.00000000E+00  1.37852310E-02 -1.16271279E-37
  9.38014230E-37  8.81225705E-39 -3.58267974E-37  0.00000000E+00 -3.97451623E-36
  0.00000000E+00 -4.12737362E-02  1.69132414E-36  6.30475139E-37  0.00000000E+00
 -1.95606569E-35  0.00000000E+00 -2.03129475E-01 -1.13236597E-36  2.36609442E-36
 -4.30370107E-37  2.32163138E-36  5.93516801E-35 -7.55817103E-37  7.98966289E-01
  2.67759122E-02 -1.00858844E-01 -1.26968729E-01 -3.78532947E-02 -1.22266439E-35
 -1.80034028E-02  6.85482579E-02  9.08518827E-02 -2.74861518E-02  8.74871807E-36
 -2.47005234E-03  8.39791828E-03  6.05245018E-03 -5.76943129E-03  5.82829752E-37
 -1.83890968E-02  7.07533479E-02  9.23706014E-02 -3.45759228E-02  8.89496536E-36
  2.83695284E-02 -1.04621800E-01 -7.73215103E-02  9.80276323E-02 -7.44579060E-36
 -4.79008223E-02  1.74883843E-02 -7.49452426E-02  6.55345501E-03 -2.68503083E-02
 -1.22193196E-02  3.33620334E-02 -1.17667768E-36  1.59974424E-04 -1.87548099E-03
  5.85550124E-03  9.02032332E-04  5.63864259E-37  7.75981632E-03  2.46994290E-02
 -6.61875996E-03  1.47320229E-02 -5.71007595E-02 -6.22128828E-03 -5.12244239E-02
 -5.99088270E-37  1.66287217E-02 -2.67425956E-03  7.99463856E-03  9.01058959E-04
  1.14114200E-02  8.67688215E-38  3.27132142E-03 -8.89741711E-03 -1.13774454E-01
  2.87587269E-01  5.20610618E-01 -1.76108053E-01  5.01329789E-35  5.88890580E-01
QEq coupling tensors                       R   N=         120
 -5.59481691E-02  1.02488809E-02 -7.96735361E-02  9.61883890E-35  4.13026231E-35
  1.35621705E-01 -8.03713528E-02  7.04241731E-03 -7.73760484E-02  7.55240332E-36
  6.33217405E-37  1.57747401E-01 -7.99343617E-02 -5.32980982E-03 -7.83977842E-02
 -7.53716450E-36 -1.17299841E-35  1.58332146E-01 -5.59481691E-02  1.02488809E-02
 -7.96735361E-02  1.46435998E-34  1.54541942E-35  1.35621705E-01 -8.03713528E-02
  7.04241731E-03 -7.73760484E-02 -3.77477548E-34 -4.02851759E-35  1.57747401E-01
 -1.12699626E-01 -2.14797968E-01 -4.02176455E-02  1.61652593E-36  6.68871789E-37
  1.52917271E-01 -2.45954557E-01  1.32583650E-01  9.41751523E-02  8.70434852E-38
  3.31768439E-38  1.51779404E-01 -1.12699626E-01 -2.14797968E-01 -4.02176455E-02
  1.57379762E-34  1.43210481E-34  1.52917271E-01 -5.32037282E-02  1.05800588E-02
 -1.00578842E-01  2.03061225E-35 -6.01283476E-35  1.53782570E-01 -9.23302905E-02
 -1.06897560E-02 -9.56315604E-02  1.71501885E-37 -2.32377787E-36  1.87961851E-01
 -2.87642529E-01  6.09265502E-02  1.34624771E-01 -1.06199762E-36 -2.22980828E-36
  1.53017758E-01 -2.71703107E-01  8.29320007E-02  1.21105313E-01  2.56115872E-36
 -2.64905417E-36  1.50597794E-01  9.99577444E-02  1.30961746E-01 -2.52070594E-01
  6.14252386E-38 -7.23813126E-37  1.52112849E-01 -5.32037282E-02  1.05800588E-02
 -1.00578842E-01 -1.87177966E-34  2.52546213E-34  1.53782570E-01 -2.71703107E-01
  8.29320007E-02  1.21105313E-01  2.83080464E-34 -4.39171773E-35  1.50597794E-01
 -9.23302905E-02 -1.06897560E-02 -9.56315604E-02 -3.57587787E-34 -1.16833698E-35
  1.87961851E-01 -2.87642529E-01  6.09265502E-02  1.34624771E-01  2.82807715E-34
 -3.70329220E-35  1.53017758E-01  9.99577444E-02  1.30961746E-01 -2.52070594E-01
  2.11243826E-35 -9.27192757E-35  1.52112849E-01 -7.99343617E-02 -5.32980982E-03
 -7.83977842E-02 -4.11461287E-34 -5.92655210E-35  1.58332146E-01 -2.45954557E-01
  1.32583650E-01  9.41751523E-02  2.49585178E-34 -9.30823575E-35  1.51779404E-01
Mulliken Charges                           R   N=          20
 -4.51388870E-03 -7.71537350E-02 -7.66089570E-02 -4.51388870E-03 -7.71537350E-02
  7.92174294E-02  7.76900111E-02  7.92174294E-02 -7.63791276E-02 -1.54814218E-01
  7.63300438E-02  7.68869293E-02  7.93455129E-02 -7.63791276E-02  7.68869293E-02
 -1.54814218E-01  7.63300438E-02  7.93455129E-02 -7.66089570E-02  7.76900111E-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
 -3.72986025E-05  3.20859841E-05  1.82323876E-32  2.73396076E-05  3.25349233E-05
 -2.75573492E-33 -4.60495191E-06 -1.63088513E-05 -5.71384294E-33  3.72986025E-05
 -3.20859841E-05  1.52103327E-32 -2.73396077E-05 -3.25349233E-05  6.10880904E-34
 -9.91334465E-06 -4.28940709E-06 -3.37225819E-34  4.55764311E-06  7.14131022E-06
 -3.21991413E-34  9.91334465E-06  4.28940709E-06 -3.29486365E-33 -2.67744345E-05
  5.44244744E-05 -2.23061808E-33 -1.32103551E-05 -1.70596431E-05 -1.14728249E-33
  1.38041834E-05 -1.31117411E-05 -2.85880226E-35  1.19398775E-05 -1.29200140E-06
 -2.79767655E-34  7.40606725E-06  4.10736131E-06 -2.55129294E-34  2.67744345E-05
 -5.44244744E-05 -8.83670825E-33 -1.19398775E-05  1.29200140E-06 -3.33294966E-33
  1.32103550E-05  1.70596431E-05 -1.41510712E-33 -1.38041834E-05  1.31117411E-05
  3.08618989E-33 -7.40606726E-06 -4.10736133E-06 -9.71146413E-34  4.60495192E-06
  1.63088513E-05 -2.41267865E-33 -4.55764312E-06 -7.14131023E-06 -3.80559243E-33
Cartesian Force Constants                  R   N=        1830
  7.26306291E-01 -3.50839215E-03  7.06184792E-01  2.47363363E-12 -2.54499185E-12
  1.57916727E-01 -3.22022210E-01  9.34296755E-02 -3.83743541E-12  7.81705924E-01
  1.26126721E-02 -1.52177427E-01  2.63869756E-12  6.62825281E-02  7.99462877E-01
  1.91487051E-12 -4.27494220E-13 -6.74471041E-02 -5.68629392E-12  4.82599950E-12
  1.41472559E-01  1.75907397E-02  3.79247581E-02 -1.73879289E-12 -1.55803442E-01
  9.38638748E-02 -1.93496364E-13  8.25138110E-01  1.09658431E-01 -1.24799306E-02
 -1.67370173E-12 -8.83164846E-03 -3.76338968E-01 -1.58329785E-12 -5.44431131E-02
  7.56242829E-01 -3.32489229E-12  3.48258548E-12  6.96344115E-03  7.00018347E-12
 -2.40762701E-12 -6.24808767E-02  1.43432755E-12  5.23842622E-13  1.41364153E-01
 -8.31337114E-02 -1.80580620E-02 -1.28550471E-12  6.32940075E-02 -7.75361559E-02
  1.66854472E-12 -2.60301910E-01 -5.42589391E-02 -1.07982624E-12  7.26306291E-01
 -1.80580620E-02  9.57448222E-03  3.61582878E-12 -7.39777599E-03 -5.71242852E-02
  2.33470257E-12 -1.39258540E-01 -2.13788410E-01 -9.78353742E-14 -3.50839215E-03
  7.06184792E-01  1.28550471E-12 -3.61582878E-12 -8.95569772E-03 -1.06570876E-12
 -1.24759904E-12  7.02330830E-03 -1.23662149E-12  2.28384666E-12 -6.66533974E-02
 -2.47363363E-12  2.54499185E-12  1.57916727E-01  6.32940075E-02 -7.39777599E-03
  1.06570876E-12 -3.40667765E-02  4.28419319E-02  3.71575953E-13 -5.86116753E-02
 -5.64489893E-02 -1.91305172E-12 -3.22022210E-01  9.34296755E-02  3.83743541E-12
  7.81705924E-01 -7.75361559E-02 -5.71242852E-02  1.24759904E-12  4.28419319E-02
 -4.87899942E-02  1.45312170E-12  2.58205029E-03  7.38010258E-02  2.78433421E-12
  1.26126721E-02 -1.52177427E-01 -2.63869756E-12  6.62825281E-02  7.99462877E-01
 -1.66854472E-12 -2.33470257E-12  7.02330830E-03 -3.71575953E-13 -1.45312170E-12
 -6.46644924E-03  3.48945243E-13  8.16791681E-13  6.51667583E-03 -1.91487051E-12
  4.27494220E-13 -6.74471041E-02  5.68629392E-12 -4.82599950E-12  1.41472559E-01
 -1.47606004E-02 -2.28513062E-02  6.26917375E-13 -2.66864101E-01 -1.69142937E-01
 -8.58563039E-13  9.36867866E-03  1.18000024E-02  4.68354407E-13  4.14533572E-05
  1.90320281E-03 -2.44201382E-13  4.11546820E-04  1.03712645E-03  3.79878718E-14
  2.72534153E-01  1.34065124E-02  1.24334914E-02  1.21070207E-13 -1.67876828E-01
 -2.07246695E-01 -5.17426436E-13 -2.79538236E-02 -1.40917462E-02  4.84396747E-13
  3.45102426E-03 -3.90352683E-03 -4.74976157E-13  9.74049734E-04  9.88977328E-05
  2.60780031E-14  1.75528776E-01  2.14827276E-01 -4.24571661E-13 -1.08967779E-12
  2.76035285E-03  9.06725366E-14 -4.82942559E-14 -4.04660927E-02 -6.84153288E-13
  1.45496579E-13  3.70907424E-03 -1.67905507E-13 -6.10557765E-13  8.84252127E-03
 -1.14390607E-14 -1.14357218E-12 -9.30497882E-04  1.77672840E-13  1.19240779E-13
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 -8.67689772E-05 -8.10050715E-14  1.83221442E-13  3.26811231E-04 -3.75002259E-13
 -8.28924853E-13 -3.99442468E-02  2.25813283E-13 -1.30004711E-13  2.84711393E-02
Dipole Moment                              R   N=           3
 -2.53130850E-14  3.31956684E-14 -1.79782272E-34
Dipole Derivatives                         R   N=         180
 -1.51033569E-01  6.43004259E-02 -1.28271456E-11 -7.56923147E-03  1.88084811E-01
 -3.51016741E-11  2.01877468E-11  2.77383310E-11  2.74540471E-02 -4.61892296E-02
  1.11740566E-01 -2.48607863E-11  1.00417168E-01 -1.09744530E-01 -1.96148532E-11
 -1.43924188E-11  1.05008210E-11 -8.31177538E-02  3.09316256E-02 -6.96045066E-02
 -7.51832530E-12 -7.66095448E-02 -1.89045334E-01  1.23678823E-11  1.17492467E-11
  4.82162543E-11 -9.08928582E-02 -1.51033571E-01  6.43004208E-02  9.06316444E-12
 -7.56922016E-03  1.88084814E-01  3.38015679E-11 -8.80718487E-12 -5.25850144E-11
  2.74540461E-02 -4.61892319E-02  1.11740569E-01  2.70200502E-11  1.00417164E-01
 -1.09744526E-01  1.67874742E-11  1.56364653E-11 -7.99022509E-12 -8.31177525E-02
  6.25641558E-02 -9.26269022E-03  9.46876627E-12 -1.04841591E-02  3.47473969E-02
  9.18727138E-12 -2.11309616E-12 -9.32279616E-12  7.91858546E-02  5.89351741E-02
  1.97970958E-02  1.42740374E-12  1.29504950E-02  3.69524784E-02  1.89125170E-12
 -7.38394756E-12  1.16480779E-12  7.76542240E-02  6.25641606E-02 -9.26268826E-03
 -9.50975854E-12 -1.04841567E-02  3.47473992E-02 -9.04445526E-12  2.65684099E-12
  1.05259252E-11  7.91858544E-02  3.89330985E-03 -3.41162945E-01 -1.17115866E-12
 -2.32137454E-02  1.90020486E-01 -4.38775667E-12 -2.44827476E-12 -1.39097421E-11
 -7.88491931E-02 -3.91718122E-02  6.07455879E-02 -1.61609062E-12 -3.93332913E-02
 -2.57337577E-01  3.34645252E-12 -4.03797924E-12  2.03712944E-12 -2.04622326E-01
  3.34372941E-02  1.55964669E-01 -1.80505948E-12  2.08611118E-02  2.02724005E-02
  4.06297200E-12  7.72911674E-12  4.17931634E-12  9.85504289E-02  1.93912387E-02
  6.60444915E-02  1.40254215E-12 -1.82357039E-02 -2.91275367E-02 -1.67637407E-12
  7.17179914E-12 -5.73984477E-12  8.03462994E-02  2.72418069E-02 -5.85627002E-02
  7.06197957E-12  4.12168992E-02  1.15177409E-01 -6.55579636E-12  9.09300116E-12
  2.06708391E-11  9.42912774E-02  3.89330839E-03 -3.41162938E-01  1.72834376E-12
 -2.32137604E-02  1.90020475E-01  4.02232762E-12  6.34668655E-12  4.79706583E-11
 -7.88491935E-02  1.93912409E-02  6.60444892E-02 -1.83995265E-12 -1.82357032E-02
 -2.91275333E-02  2.21079760E-12 -8.31943211E-12  5.19529818E-12  8.03462990E-02
 -3.91718084E-02  6.07455921E-02  2.04903660E-13 -3.93332853E-02 -2.57337580E-01
 -3.66804625E-12  4.76724887E-12 -2.05979950E-11 -2.04622326E-01  3.34372936E-02
  1.55964670E-01  2.42205860E-12  2.08611121E-02  2.02724054E-02 -4.56720572E-12
 -7.07295501E-12 -1.88388278E-11  9.85504295E-02  2.72418053E-02 -5.85627020E-02
 -6.92039496E-12  4.12169003E-02  1.15177406E-01  7.29984598E-12 -1.46069642E-11
 -1.35199050E-11  9.42912770E-02  3.09316305E-02 -6.96045137E-02  9.20231683E-12
 -7.66095419E-02 -1.89045337E-01 -8.94697284E-12 -2.17995158E-11 -2.55805528E-11
 -9.08928584E-02  5.89351759E-02  1.97971019E-02 -9.32857046E-13  1.29504968E-02
  3.69524814E-02 -1.41470882E-12  5.64361628E-12 -1.01144775E-11  7.76542241E-02
Polarizability                             R   N=           6
  6.82382082E+01  6.77771760E+00  1.43008790E+02  1.84241618E-10  3.75098145E-10
  1.13434509E+01