File: dvb_sp_no.fchk

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Notitle                                                                 
SP        RB3LYP                                                      STO-3G              
Number of atoms                            I               20
Info1-9                                    I   N=           9
          90          84           0           0           0         111
           1          18        -502
Full Title                                 C   N=           1
Notitle     
Route                                      C   N=           5
#p b3lyp/sto-3g pop=(full,NO) gfinput iop(3/33=1,3/36=-1)   
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
  5.09245178E-01 -2.66467886E+00 -2.00792282E-32 -2.01208947E+00 -1.73987025E+00
 -1.04810540E-32 -2.50470683E+00  8.63658861E-01  4.56390785E-32 -5.09245178E-01
  2.66467886E+00  9.89590315E-32  2.01208947E+00  1.73987025E+00  1.58392474E-31
 -3.59885864E+00 -3.07571064E+00 -4.81282496E-32 -4.46877149E+00  1.53666345E+00
  6.62553627E-32  3.59885864E+00  3.07571064E+00  3.93254896E-31 -1.14088778E+00
  5.42335668E+00  8.19666841E-32  5.09245178E-01  7.35472324E+00  7.62314504E-34
  2.56089319E+00  7.07138068E+00  2.97284594E-31 -3.17833818E+00  5.83926408E+00
  8.14434351E-32 -1.39893763E-01  9.32196133E+00  1.57285670E-31  1.14088778E+00
 -5.42335668E+00 -1.60846487E-31  3.17833818E+00 -5.83926408E+00 -1.40595428E-31
 -5.09245178E-01 -7.35472324E+00 -1.38794111E-31 -2.56089319E+00 -7.07138068E+00
 -3.56436587E-31  1.39893763E-01 -9.32196133E+00 -2.95317467E-31  2.50470683E+00
 -8.63658861E-01  8.58882148E-33  4.46877149E+00 -1.53666345E+00  9.15042438E-32
Number of symbols in /Mol/                 I                0
Force Field                                I                0
Atom Types                                 C   N=          20
                                                            
                                                            
                                                            
                                                            
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 ZNuc                               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
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 residues                         I                0
Number of secondary structures             I                0
SymInf integers                            I   N=          26
           2           4           1           1           1          -1
          -1           1           1           1          -1          -1
          -1          -1           0           0           0           0
           0           0           0           0           0           0
           0           0
RotTr to input orientation                 R   N=          12
  3.44359430E-01 -2.40654386E-18 -9.38837889E-01  9.38837889E-01  1.22441032E-16
  3.44359430E-01  1.14123564E-16 -1.00000000E+00  4.44230787E-17  2.32633810E+00
  0.00000000E+00  1.39570596E+00
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
  5.09245178E-01 -2.66467886E+00 -1.29025532E-32  5.09245178E-01 -2.66467886E+00
 -1.29025532E-32 -2.01208947E+00 -1.73987025E+00  1.19242960E-32 -2.01208947E+00
 -1.73987025E+00  1.19242960E-32 -2.50470683E+00  8.63658861E-01  2.44878703E-32
 -2.50470683E+00  8.63658861E-01  2.44878703E-32 -5.09245178E-01  2.66467886E+00
  6.86947601E-32 -5.09245178E-01  2.66467886E+00  6.86947601E-32  2.01208947E+00
  1.73987025E+00  1.19047604E-31  2.01208947E+00  1.73987025E+00  1.19047604E-31
 -3.59885864E+00 -3.07571064E+00  2.14434108E-32 -4.46877149E+00  1.53666345E+00
  4.36765463E-32  3.59885864E+00  3.07571064E+00  2.11776838E-31 -1.14088778E+00
  5.42335668E+00  2.71666380E-32 -1.14088778E+00  5.42335668E+00  2.71666380E-32
  5.09245178E-01  7.35472324E+00  1.89933945E-32  5.09245178E-01  7.35472324E+00
  1.89933945E-32  2.56089319E+00  7.07138068E+00  2.85035182E-34 -3.17833818E+00
  5.83926408E+00  4.61737849E-32 -1.39893763E-01  9.32196133E+00  3.08898473E-32
  1.14088778E+00 -5.42335668E+00 -1.36508020E-31  1.14088778E+00 -5.42335668E+00
 -1.36508020E-31  3.17833818E+00 -5.83926408E+00 -8.52705988E-32 -5.09245178E-01
 -7.35472324E+00 -2.50196416E-31 -5.09245178E-01 -7.35472324E+00 -2.50196416E-31
 -2.56089319E+00 -7.07138068E+00 -3.06102307E-31  1.39893763E-01 -9.32196133E+00
 -2.92266567E-31  2.50470683E+00 -8.63658861E-01  5.17728961E-32  2.50470683E+00
 -8.63658861E-01  5.17728961E-32  4.46877149E+00 -1.53666345E+00  9.25053158E-32
Num ILSW                                   I              100
ILSW                                       I   N=         100
           0           0           0           0           2           0
           0           0           0           0         402          -1
           5           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 -2000000000           1           0           0           0
           0           0           4          52           0           0
           0           0           5           0           0           0
           0           0           0          20           0           1
           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               52
RLSW                                       R   N=          52
  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  1.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00  1.00000000E+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
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      2.017190273612406E+00
SCF Energy                                 R     -3.823082665611959E+02
Total Energy                               R     -3.823082665611959E+02
RMS Density                                R      5.825113760653614E-09
Job Status                                 I                1
Nuclear derivative order                   I                0
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
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  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
 -1.00202118E+01 -1.00201644E+01 -1.00081140E+01 -1.00081130E+01 -1.00067877E+01
 -1.00067833E+01 -1.00060519E+01 -1.00059141E+01 -9.99232935E+00 -9.99232927E+00
 -8.09510236E-01 -7.53984583E-01 -7.17965955E-01 -6.99780307E-01 -6.67505375E-01
 -5.88692745E-01 -5.58921824E-01 -5.31666652E-01 -5.10169837E-01 -4.57445694E-01
 -4.39363232E-01 -4.10598175E-01 -3.97956239E-01 -3.96070654E-01 -3.73964858E-01
 -3.51150591E-01 -3.47294904E-01 -3.24506258E-01 -3.11252451E-01 -2.92784354E-01
 -2.87458111E-01 -2.63545998E-01 -2.12447118E-01 -1.95049858E-01 -1.53084081E-01
  3.74215151E-02  9.03643732E-02  1.10612351E-01  1.82203875E-01  2.72526637E-01
  3.32228432E-01  3.40727920E-01  3.79364676E-01  3.81453737E-01  4.10968793E-01
  4.11951442E-01  4.26762692E-01  4.39639438E-01  4.52761825E-01  4.78262850E-01
  5.26242044E-01  5.45823819E-01  5.76011327E-01  5.99439399E-01  6.24983188E-01
  6.39713197E-01  6.82795036E-01  7.17244170E-01  7.79557598E-01  7.94578101E-01
Alpha MO coefficients                      R   N=        3600
  6.99294512E-01  3.15671615E-02 -5.32644875E-05  9.12448266E-04  0.00000000E+00
 -1.91424588E-02 -7.71268719E-03 -4.20384366E-03  1.23240407E-03  0.00000000E+00
  1.85760431E-02  7.72486205E-03  3.46072748E-03  2.71863001E-03  0.00000000E+00
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  1.91424588E-02  7.71268719E-03 -4.20384366E-03  1.23240407E-03  0.00000000E+00
  3.32598322E-04 -3.32882957E-04 -3.32598322E-04  2.74325134E-02  6.72552471E-03
  1.00511092E-03 -3.94793848E-03  0.00000000E+00 -1.80327169E-04 -4.74440280E-04
 -1.13490597E-05  2.82141574E-04  0.00000000E+00  1.48422839E-04 -3.25912542E-04
  2.87415001E-05 -2.74325134E-02 -6.72552471E-03  1.00511092E-03 -3.94793848E-03
  0.00000000E+00  3.25912542E-04  1.80327169E-04  4.74440280E-04 -1.13490597E-05
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 -1.46537500E-01  7.14208691E-01 -2.31823313E-01  5.49512458E-02  0.00000000E+00
 -7.30491770E-02  3.61952976E-01  5.55390816E-01  1.21777026E-01  0.00000000E+00
  7.21930641E-02 -3.54732401E-01  3.41413719E-01 -4.78938855E-01  0.00000000E+00
 -1.85922971E-01 -4.68410976E-01  1.85922971E-01 -8.38847722E-03  4.55767141E-02
 -1.28217600E-01  1.82444640E-01  0.00000000E+00  3.98179239E-02 -1.79105782E-01
  9.59495143E-02 -5.57772036E-02  0.00000000E+00  4.97611423E-03 -9.75189424E-02
  1.38547293E-01  8.38847722E-03 -4.55767141E-02 -1.28217600E-01  1.82444640E-01
  0.00000000E+00  9.75189424E-02 -3.98179239E-02  1.79105782E-01  9.59495143E-02
 -5.57772036E-02  0.00000000E+00 -4.97611423E-03 -1.38547293E-01  1.46537500E-01
 -7.14208691E-01 -2.31823313E-01  5.49512458E-02  0.00000000E+00  4.68410976E-01
 -1.25208524E-01  6.15996542E-01  3.90803888E-01 -1.14878178E-01  0.00000000E+00
 -1.10962394E-01  5.70794815E-01 -2.91230490E-01  1.36425978E-01  0.00000000E+00
 -6.10025439E-03  2.82556591E-02  1.97231532E-01  5.81170695E-01  0.00000000E+00
  1.25208524E-01 -6.15996542E-01  3.90803888E-01 -1.14878178E-01  0.00000000E+00
  1.10962394E-01 -5.70794815E-01 -2.91230490E-01  1.36425978E-01  0.00000000E+00
 -3.49556060E-01 -2.13415095E-03  3.49556060E-01 -7.61851551E-02  3.54430072E-01
 -1.73143082E-01 -3.40494255E-01  0.00000000E+00 -6.25457806E-02  3.27593271E-01
  3.03860668E-03  6.17108237E-02  0.00000000E+00 -1.77316109E-01 -2.25555558E-01
 -1.70479858E-01  7.61851551E-02 -3.54430072E-01 -1.73143082E-01 -3.40494255E-01
  0.00000000E+00  2.25555558E-01  6.25457806E-02 -3.27593271E-01  3.03860668E-03
  6.17108237E-02  0.00000000E+00  1.77316109E-01  1.70479858E-01  6.10025439E-03
 -2.82556591E-02  1.97231532E-01  5.81170695E-01  0.00000000E+00  2.13415095E-03
  9.25725727E-03 -3.30659299E-02  6.51533563E-02  2.42336172E-01  0.00000000E+00
  2.57082101E-02 -1.39648811E-01  1.79674660E-04 -1.57786439E-01  0.00000000E+00
 -4.54382499E-02  2.63605100E-01  6.69724300E-02 -8.19924853E-02  0.00000000E+00
 -9.25725727E-03  3.30659299E-02  6.51533563E-02  2.42336172E-01  0.00000000E+00
 -2.57082101E-02  1.39648811E-01  1.79674660E-04 -1.57786439E-01  0.00000000E+00
 -1.23470763E-02 -6.32561758E-02  1.23470763E-02  1.67852106E-01 -9.30605447E-01
 -3.00008227E-01 -3.69302753E-01  0.00000000E+00 -1.68028062E-01  9.34178620E-01
 -3.09300157E-01 -3.45474059E-01  0.00000000E+00 -1.96237342E-01  2.22617315E-01
 -2.13402928E-01 -1.67852106E-01  9.30605447E-01 -3.00008227E-01 -3.69302753E-01
  0.00000000E+00 -2.22617315E-01  1.68028062E-01 -9.34178620E-01 -3.09300157E-01
 -3.45474059E-01  0.00000000E+00  1.96237342E-01  2.13402928E-01  4.54382499E-02
 -2.63605100E-01  6.69724300E-02 -8.19924853E-02  0.00000000E+00  6.32561758E-02
  1.55398563E-01 -8.45306913E-01  7.73536168E-02 -3.21085155E-01  0.00000000E+00
 -1.56936470E-01  8.68539055E-01  2.55136485E-01  2.30673809E-01  0.00000000E+00
  1.54100199E-01 -8.50446025E-01 -3.19039132E-01  1.28614187E-01  0.00000000E+00
 -1.55398563E-01  8.45306913E-01  7.73536168E-02 -3.21085155E-01  0.00000000E+00
  1.56936470E-01 -8.68539055E-01  2.55136485E-01  2.30673809E-01  0.00000000E+00
 -1.37291928E-01  1.25155446E-01  1.37291928E-01  4.84620952E-02 -2.48255325E-01
 -7.20344964E-02  2.86193536E-02  0.00000000E+00 -2.97936406E-02  1.67351287E-01
 -3.07447978E-02 -7.68162122E-02  0.00000000E+00 -5.93642425E-02  4.30866085E-02
 -2.59635874E-02 -4.84620952E-02  2.48255325E-01 -7.20344964E-02  2.86193536E-02
  0.00000000E+00 -4.30866085E-02  2.97936406E-02 -1.67351287E-01 -3.07447978E-02
 -7.68162122E-02  0.00000000E+00  5.93642425E-02  2.59635874E-02 -1.54100199E-01
  8.50446025E-01 -3.19039132E-01  1.28614187E-01  0.00000000E+00 -1.25155446E-01
Total SCF Density                          R   N=        1830
  2.06611631E+00 -2.06251137E-01  8.42028006E-01  2.34461487E-04  3.43991185E-03
  6.03779005E-01  1.23099520E-03 -1.89627330E-02  2.97057662E-03  5.96748324E-01
  4.04617879E-36 -1.04762489E-34 -3.62009446E-33  2.62753788E-33  7.72476259E-01
  2.48336483E-02 -6.53067800E-02  1.06999807E-01 -3.58489313E-02 -8.02795415E-34
  2.06661314E+00 -6.58602366E-02  9.14675460E-02 -2.74318998E-01  8.82363862E-02
  0.00000000E+00 -2.04098855E-01  8.26294103E-01 -1.05425754E-01  2.70566445E-01
 -4.15154231E-01  1.46401088E-01 -3.57227695E-33  3.88952093E-03 -1.94793129E-02
  6.12010161E-01  3.97148700E-02 -9.75484817E-02  1.59239794E-01 -2.71515798E-02
  3.84251054E-33  3.39332077E-03 -2.02679416E-02  1.28880855E-02  6.08186175E-01
  8.10461381E-34 -2.06058091E-33  3.20412391E-33 -1.00133836E-33  4.72630807E-01
 -8.36258949E-36  2.73687672E-35 -3.62566097E-33  2.61856343E-33  7.98970844E-01
 -4.63739541E-03  1.44035700E-02 -1.57546348E-02  1.46946935E-02  1.59946384E-34
  2.54938546E-02 -6.67354989E-02  1.85533086E-02 -1.14066287E-01 -6.17306467E-34
  2.06693259E+00  1.40859497E-02 -3.45990870E-02  5.16970324E-02 -5.92075036E-02
  0.00000000E+00 -6.66220014E-02  8.88116796E-02 -3.81084718E-02  2.90673537E-01
  0.00000000E+00 -2.05642288E-01  8.32475260E-01  1.41757329E-02 -5.97730756E-02
  4.94232830E-02 -1.72013442E-02  4.26364448E-34 -2.42971412E-02  7.04019427E-02
  4.14406215E-03  8.82704123E-02 -4.01138605E-33  4.46938660E-03 -2.41095585E-02
  6.16343711E-01 -1.97396800E-02  6.83469684E-02 -5.87800300E-02  5.54108333E-02
 -4.58617825E-34  1.13367844E-01 -2.86368205E-01  8.76377509E-02 -4.46038684E-01
  4.31483712E-33 -2.70504466E-03  1.62583006E-02 -7.84754522E-03  6.02490744E-01
 -1.72809944E-34  6.62672092E-34 -5.57981131E-34  3.49148579E-34 -5.64102325E-02
  6.48773967E-34 -1.69313012E-33  3.63565228E-34 -2.50848107E-33  5.30727224E-01
 -3.88862946E-35  2.17153999E-34 -3.74366030E-33  2.71809276E-33  7.98964754E-01
 -4.16964454E-03  1.46334519E-02 -2.39800773E-03  1.23072409E-02  6.89886818E-35
 -4.52364173E-03  1.36114224E-02  6.21082981E-03  2.30886548E-02  6.49791899E-35
  2.45983916E-02 -6.51826978E-02 -8.36801217E-02 -7.47634333E-02  1.72118497E-34
  2.06611631E+00  1.46334519E-02 -5.09738991E-02  9.36142113E-03 -4.61071636E-02
 -1.65578224E-34  1.38465336E-02 -3.27537615E-02 -3.14536979E-02 -8.31040491E-02
 -2.64724618E-34 -6.49524185E-02  9.09754104E-02  2.19396277E-01  1.87042797E-01
  4.92143817E-34 -2.06251137E-01  8.42028006E-01  2.39800773E-03 -9.36142113E-03
 -5.46292973E-02 -1.82485452E-02  2.24968433E-34 -9.08626800E-03  2.56809046E-02
  2.49534052E-02  4.62043852E-02  1.88390691E-34  8.53608839E-02 -2.20204493E-01
 -2.56687611E-01 -2.47953039E-01 -1.04956482E-33 -2.34461487E-04 -3.43991185E-03
  6.03779005E-01 -1.23072409E-02  4.61071636E-02 -1.82485452E-02  3.88705130E-02
 -1.94021297E-33 -1.99353179E-02  7.52831855E-02  6.14045457E-03  8.34503140E-02
 -1.04217951E-34  7.46328471E-02 -1.90541018E-01 -2.40143320E-01 -1.91167068E-01
  2.62711504E-33 -1.23099520E-03  1.89627330E-02  2.97057662E-03  5.96748324E-01
 -6.89886818E-35  9.51497132E-35  2.40716273E-33 -3.42320567E-34 -3.15454481E-01
 -3.36972398E-35 -6.25757776E-35  2.69905822E-34 -2.52475739E-34 -5.86155233E-02
 -1.82811443E-34  9.84058729E-34 -2.06058126E-33  1.84486993E-33  4.71438769E-01
 -4.04617879E-36  1.04762489E-34 -3.62009446E-33  2.62753788E-33  7.72476259E-01
 -4.52364173E-03  1.38465336E-02  9.08626800E-03  1.99353179E-02  3.36972398E-35
 -4.15777901E-03  1.42215054E-02  9.11228963E-03  7.58770742E-03 -2.11968855E-35
 -5.16355146E-03  1.75480246E-02  2.26334757E-02  7.49208045E-03 -1.02985057E-34
  2.48336483E-02 -6.53067800E-02 -1.06999807E-01  3.58489313E-02  8.02795415E-34
  2.06661314E+00  1.36114224E-02 -3.27537615E-02 -2.56809046E-02 -7.52831855E-02
 -2.41773864E-34  1.42215054E-02 -4.77853416E-02 -3.40703046E-02 -2.71985129E-02
 -7.00523336E-35  1.76236365E-02 -5.05188358E-02 -8.89672913E-02 -2.23879544E-02
 -1.51592021E-35 -6.58602366E-02  9.14675460E-02  2.74318998E-01 -8.82363862E-02
  0.00000000E+00 -2.04098855E-01  8.26294103E-01 -6.21082981E-03  3.14536979E-02
  2.49534052E-02  6.14045457E-03  5.01896941E-35 -9.11228963E-03  3.40703046E-02
  8.10931272E-04  4.34093410E-02  4.03066516E-34 -2.42051194E-02  9.25949896E-02
  8.94447234E-02  4.32096599E-02  1.26167717E-34  1.05425754E-01 -2.70566445E-01
 -4.15154231E-01  1.46401088E-01 -3.57227695E-33 -3.88952093E-03  1.94793129E-02
  6.12010161E-01 -2.30886548E-02  8.31040491E-02  4.62043852E-02  8.34503140E-02
 -1.32168677E-34 -7.58770742E-03  2.71985129E-02  4.34093410E-02 -1.10091226E-02
 -2.18943068E-33 -1.67753544E-03  1.33085027E-02 -1.05140941E-02  1.26451633E-02
 -2.79194492E-34 -3.97148700E-02  9.75484817E-02  1.59239794E-01 -2.71515798E-02
  3.84251054E-33 -3.39332077E-03  2.02679416E-02  1.28880855E-02  6.08186175E-01
 -6.49791899E-35 -8.55942775E-35  3.09310117E-34 -3.93402365E-35 -5.86155233E-02
  2.11968855E-35 -1.54499400E-34  2.20778773E-33 -7.27205347E-34 -3.20614974E-01
  1.38218634E-34 -4.79505311E-34 -1.48519423E-34 -2.92990469E-34 -4.99020915E-02
 -8.10461381E-34  2.06058091E-33  3.20412391E-33 -1.00133836E-33  4.72630807E-01
  8.36258949E-36 -2.73687672E-35 -3.62566097E-33  2.61856343E-33  7.98970844E-01
  2.61112362E-02 -9.73964735E-02  1.30459898E-01  1.28264589E-02 -7.28187107E-34
 -1.13958356E-01  2.87389807E-01 -4.19990158E-01 -3.53500594E-01  9.60221986E-34
  2.81947430E-02 -1.04057563E-01  3.49212109E-02  1.19579186E-01  3.19960451E-34
 -1.81820220E-02  7.03214507E-02 -7.29337560E-02 -6.70298469E-02  1.41735186E-34
 -2.18832856E-03  7.31825018E-03 -2.66048643E-03 -6.58954238E-03 -1.32021734E-35
  5.86984517E-01 -1.83896777E-02  7.07552473E-02 -9.23704279E-02  3.45766562E-02
  7.09122515E-34  2.83692261E-02 -1.04620384E-01  7.73227967E-02 -9.80275263E-02
 -8.99853518E-34 -1.13774828E-01  2.87587929E-01 -5.20609776E-01  1.76107250E-01
  3.91348090E-33  2.67758189E-02 -1.00858308E-01  1.26968608E-01  3.78529442E-02
 -5.96234553E-34 -1.80035253E-02  6.85485735E-02 -9.08514296E-02  2.74844156E-02
  6.68541648E-34 -7.49458774E-02  5.88889039E-01 -1.81820220E-02  7.03214507E-02
  7.29337560E-02  6.70298469E-02 -1.41735186E-34 -2.18832856E-03  7.31825018E-03
  2.66048643E-03  6.58954238E-03  1.32021734E-35 -1.81627024E-02  6.93044729E-02
  7.51700953E-02  6.02799044E-02 -1.85115256E-34  2.61112362E-02 -9.73964735E-02
 -1.30459898E-01 -1.28264589E-02  7.28187107E-34 -1.13958356E-01  2.87389807E-01
  4.19990158E-01  3.53500594E-01 -9.60221986E-34  1.86231657E-02 -4.79012749E-02
  5.86984517E-01  6.17568696E-05 -3.30557971E-05 -5.27920747E-04 -7.88157990E-04
 -3.17158297E-37  3.31161336E-03 -1.23410645E-02  2.52956177E-03 -1.63743929E-02
 -8.78101894E-35 -5.96861933E-03  2.15571198E-02  3.72093472E-03  2.38267250E-02
  8.32341284E-35  2.16406052E-02 -5.94307319E-02  2.19990208E-02 -1.03358761E-01
 -5.90574205E-34 -5.00983450E-03  1.66965336E-02 -1.38688289E-02  1.78048977E-02
  1.62386157E-34  6.04128065E-03  1.47318535E-02  1.13354760E-02  2.06713959E+00
  6.06061729E-04 -2.86288976E-03  2.59925009E-03 -2.98212646E-04  0.00000000E+00
 -1.32233072E-02  4.64919238E-02 -9.92354623E-03  6.97831830E-02  0.00000000E+00
  2.31121955E-02 -7.64771771E-02 -1.21335030E-02 -1.01416828E-01 -3.41373557E-34
 -5.96543252E-02  1.00197772E-01 -5.59810264E-02  2.85745027E-01  0.00000000E+00
  1.70325700E-02 -5.11516456E-02  4.72313038E-02 -7.27650534E-02  0.00000000E+00
 -2.66437556E-02 -5.70999053E-02 -4.51356865E-02 -2.05748085E-01  8.31683418E-01
 -1.54625684E-03  6.64194057E-03 -3.82270388E-03  4.04720207E-03 -9.96596532E-35
  3.29518365E-04 -3.25100057E-03  3.59121399E-03  4.56375006E-03  2.91737890E-34
 -9.32134847E-03  4.28803962E-02 -1.51093016E-02  1.02258732E-02  7.84987564E-35
 -2.95574064E-02  9.73411224E-02 -1.46524383E-02  1.30630567E-01 -1.45152950E-33
  1.51824284E-02 -6.23979924E-02  4.51510174E-02 -2.77732625E-02  3.55530377E-34
 -8.50764567E-03  6.22117586E-03 -2.62598808E-02  4.40821625E-03 -3.23399311E-02
  6.24117774E-01  1.98107671E-03 -7.94936018E-03  2.31924461E-03 -7.83611657E-03
  1.07198650E-34  1.36463301E-02 -5.45317728E-02  1.15662536E-02 -6.81544865E-02
 -3.13807113E-34 -2.22962203E-02  8.52837549E-02  4.96290248E-02  8.42901578E-02
 -1.69223096E-35  1.02621901E-01 -2.83227387E-01  9.21892299E-02 -4.42596146E-01
  1.56133398E-33 -1.79520398E-02  6.43102628E-02 -6.52089596E-02  5.87457938E-02
 -3.82425338E-34  3.34279096E-02  5.12234821E-02  5.03924773E-02 -1.81347671E-04
 -2.39385204E-02  2.24992681E-03  5.90917524E-01  1.80868658E-35 -7.52080187E-35
  3.32845869E-35 -5.90920667E-35  1.31854901E-02  5.85119351E-35 -2.22178899E-34
  2.96634804E-35 -3.29594590E-34 -3.85984392E-02 -4.27486259E-35 -1.44239180E-34
  4.08459584E-34 -3.39894516E-35 -4.12727875E-02  6.32790543E-34 -1.84131426E-33
  4.96850806E-34 -2.74812399E-33  1.92044897E-01 -1.70943080E-34  6.60572722E-34
 -5.60772358E-34  4.27549537E-34 -4.70385167E-02  1.99382580E-34  1.89639947E-34
  3.81412060E-34 -2.73305320E-35  8.84861784E-35 -3.74567845E-33  2.60602621E-33
  7.86602828E-01 -3.25646162E-04  1.32237505E-03  5.29986700E-04  1.22384926E-03
  2.23616629E-36 -1.35380699E-03  5.40481611E-03 -5.08061190E-04  6.21045730E-03
  3.05885274E-35  3.35751045E-03 -1.28446063E-02 -6.54716568E-03 -1.12059833E-02
 -1.02788333E-35 -4.78969784E-03  1.56658529E-02  5.25318337E-03  2.21103379E-02
  6.64049385E-35 -2.99095843E-03  1.02470033E-02 -8.18671280E-04  9.20394014E-03
  4.57278860E-35 -3.26976557E-03 -2.67432215E-03  4.17553003E-03  2.88794601E-02
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Grdnt Energy                               R      0.000000000000000E+00
Grdnt NVar                                 I               54
Grdnt IGetFC                               I                0
Internal Forces                            R   N=          54
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Mulliken Charges                           R   N=          20
 -4.50593623E-03 -7.71615493E-02 -7.66079808E-02 -4.50593623E-03 -7.71615493E-02
  7.92190081E-02  7.76910573E-02  7.92190081E-02 -7.63814077E-02 -1.54817020E-01
  7.63312072E-02  7.68868481E-02  7.93457729E-02 -7.63814077E-02  7.68868481E-02
 -1.54817020E-01  7.63312072E-02  7.93457729E-02 -7.66079808E-02  7.76910573E-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
Atom Modified Types                        C   N=          20
                                                            
                                                            
                                                            
                                                            
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
Nonadiabatic coupling                      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
QEq coupling tensors                       R   N=         120
 -5.59486648E-02  1.02492687E-02 -7.96771044E-02  1.64918729E-34 -1.39038596E-32
  1.35625769E-01 -8.03716696E-02  7.04414212E-03 -7.73740449E-02 -9.05845353E-33
  3.09801110E-33  1.57745715E-01 -7.99333736E-02 -5.32804877E-03 -7.83961172E-02
 -9.04553813E-33  3.43955726E-33  1.58329491E-01 -5.59486648E-02  1.02492687E-02
 -7.96771044E-02  2.15483549E-33  1.44411138E-32  1.35625769E-01 -8.03716696E-02
  7.04414212E-03 -7.73740449E-02  3.45082828E-32  1.85345661E-33  1.57745715E-01
 -1.12704651E-01 -2.14810134E-01 -4.02208674E-02 -6.58231409E-34  4.37163249E-33
  1.52925518E-01 -2.45958063E-01  1.32585376E-01  9.41767154E-02  8.97087641E-33
 -3.54796679E-33  1.51781347E-01 -1.12704651E-01 -2.14810134E-01 -4.02208674E-02
 -2.19203998E-32 -1.96667239E-32  1.52925518E-01 -5.32042173E-02  1.05825983E-02
 -1.00577750E-01 -3.85433051E-33 -7.01543716E-33  1.53781967E-01 -9.23316094E-02
 -1.06897046E-02 -9.56313651E-02 -5.42827499E-33  5.71909492E-33  1.87962974E-01
 -2.87651562E-01  6.09283166E-02  1.34629087E-01  6.93147423E-33  2.36507950E-33
  1.53022475E-01 -2.71694555E-01  8.29320362E-02  1.21100861E-01  7.11290652E-33
  2.31079118E-33  1.50593695E-01  9.99590659E-02  1.30964265E-01 -2.52074364E-01
  5.14581098E-33 -6.51783764E-33  1.52115298E-01 -5.32042173E-02  1.05825983E-02
 -1.00577750E-01 -6.93027808E-33  1.31375704E-32  1.53781967E-01 -2.71694555E-01
  8.29320362E-02  1.21100861E-01 -1.93816022E-32  5.71624430E-33  1.50593695E-01
 -9.23316094E-02 -1.06897046E-02 -9.56313651E-02  3.17587404E-32  3.24386813E-32
  1.87962974E-01 -2.87651562E-01  6.09283166E-02  1.34629087E-01 -1.68030559E-32
  9.14258461E-33  1.53022475E-01  9.99590659E-02  1.30964265E-01 -2.52074364E-01
  5.45602278E-33 -1.69952895E-32  1.52115298E-01 -7.99333736E-02 -5.32804877E-03
 -7.83961172E-02  2.02315442E-32  3.01169477E-32  1.58329491E-01 -2.45958063E-01
  1.32585376E-01  9.41767154E-02 -1.56770973E-32  8.77994963E-33  1.51781347E-01
ClPar MaxAn                                I              200
ClPar NIntPar                              I                4
ClPar NRealPar                             I               16
ClPar NBits                                I               30
ClPar LenBitVec                            I                1
ClPar Read BitMap                          I   N=         200
           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           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           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           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           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           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0
ClPar Default BitMap                       I   N=         200
        2016        2016        2016        2016        2016        2016
        2016        2016        2016        2016        2016        2016
        2016        2016        2016        2016        2016        2016
        2016        2016        2016        2016        2016        2016
        2016        2016        2016        2016        2016        2016
        2016        2016        2016        2016        2016        2016
        2016        2016        2016        2016        2016        2016
        2016        2016        2016        2016        2016        2016
        2016        2016        2016        2016        2016        2016
        2016        2016        2016        2016        2016        2016
        2016        2016        2016        2016        2016        2016
        2016        2016        2016        2016        2016        2016
        2016        2016        2016        2016        2016        2016
        2016        2016        2016        2016        2016        2016
        2016        2016         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480         480         480         480         480
         480         480
ClPar Int Params                           I   N=         800
           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           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           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           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           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           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
           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           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           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           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           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           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
           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           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           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           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           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           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
           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           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           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           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0
ClPar Real Params                          R   N=        3200
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  2.26000000E-01  4.43000000E-01  1.01000000E-01  1.47000000E-01  1.92000000E-01
  2.40000000E-01  2.75000000E-01  3.03000000E-01  3.25000000E-01  4.13000000E-01
  9.60000000E-02  1.35000000E-01  1.73000000E-01  2.11000000E-01  2.48000000E-01
  2.86000000E-01  3.23000000E-01  3.60000000E-01  8.20000000E-02  1.04000000E-01
  1.17000000E-01  1.23000000E-01  1.29000000E-01  1.34000000E-01  1.40000000E-01
  1.44000000E-01  1.48000000E-01  1.52000000E-01  1.55000000E-01  1.76000000E-01
  1.98000000E-01  2.19000000E-01  2.39000000E-01  2.60000000E-01  2.80000000E-01
  3.00000000E-01  7.90000000E-02  9.90000000E-02  1.19000000E-01  1.26000000E-01
  1.33000000E-01  1.40000000E-01  1.47000000E-01  1.53000000E-01  1.58000000E-01
  1.63000000E-01  1.57000000E-01  1.70000000E-01  1.87000000E-01  2.03000000E-01
  2.19000000E-01  2.34000000E-01  2.50000000E-01  2.65000000E-01  7.40000000E-02
  9.20000000E-02  1.05000000E-01  1.06000000E-01  1.07000000E-01  1.08000000E-01
  1.09000000E-01  1.10000000E-01  1.11000000E-01  1.12000000E-01  1.13000000E-01
  1.14000000E-01  1.15000000E-01  1.16000000E-01  1.17000000E-01  1.17000000E-01
  1.26000000E-01  1.36000000E-01  1.46000000E-01  1.55000000E-01  1.65000000E-01
  1.73000000E-01  1.82000000E-01  1.90000000E-01  1.62000000E-01  1.78000000E-01
  1.10000000E-01  1.35000000E-01  1.59000000E-01  1.83000000E-01  2.07000000E-01
  2.31000000E-01  6.90000000E-02  9.40000000E-02  1.02000000E-01  1.03000000E-01
  1.05000000E-01  1.07000000E-01  1.09000000E-01  1.11000000E-01  1.13000000E-01
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Gaussian Version                           C   N=           2
ES64L-G16RevA.03