File: Trp_polar.fchk

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cclib-data 1.6.2-2
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tryptophan static polarizability                                        
SP        RHF                                                         STO-3G              
Number of atoms                            I               27
Info1-9                                    I   N=           9
          35          34           0           0           0         110
           1           1           2
Full Title                                 C   N=           3
tryptophan static polarizability    
Route                                      C   N=           3
#p hf/sto-3g polar symmetry=none    
Charge                                     I                0
Multiplicity                               I                1
Number of electrons                        I              108
Number of alpha electrons                  I               54
Number of beta electrons                   I               54
Number of basis functions                  I               87
Number of independent functions            I               87
Number of point charges in /Mol/           I                0
Number of translation vectors              I                0
Atomic numbers                             I   N=          27
           7           6           6           8           6           1
           1           6           6           7           1           6
           6           6           1           6           1           6
           1           6           1           1           1           1
           1           8           1
Nuclear charges                            R   N=          27
  7.00000000E+00  6.00000000E+00  6.00000000E+00  8.00000000E+00  6.00000000E+00
  1.00000000E+00  1.00000000E+00  6.00000000E+00  6.00000000E+00  7.00000000E+00
  1.00000000E+00  6.00000000E+00  6.00000000E+00  6.00000000E+00  1.00000000E+00
  6.00000000E+00  1.00000000E+00  6.00000000E+00  1.00000000E+00  6.00000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00
  8.00000000E+00  1.00000000E+00
Current cartesian coordinates              R   N=          81
 -1.32248113E-01  6.27764598E-01  5.33145252E-01  2.59422272E+00  1.83438232E-01
 -2.44885336E-02  3.96261876E+00 -9.89447473E-02  2.58564654E+00  5.93043114E+00
 -1.24035666E+00  2.90642957E+00  3.69057174E+00  2.48237067E+00 -1.50347026E+00
  3.48517037E+00  4.16696044E+00 -3.40459066E-01  2.54279656E+00  2.75804300E+00
 -3.19093286E+00  6.43520661E+00  2.12983696E+00 -2.25218981E+00  8.47452399E+00
  3.06797755E+00 -1.05804216E+00  1.06786703E+01  2.33935364E+00 -2.32145497E+00
  1.24739526E+01  2.66684784E+00 -1.70616368E+00  1.00007367E+01  8.23216529E-01
 -4.37124210E+00  7.35897515E+00  6.72364181E-01 -4.39612956E+00  6.17168845E+00
 -7.24257864E-01 -6.31760190E+00  4.13175515E+00 -8.64938767E-01 -6.39028249E+00
  7.63104712E+00 -1.90626362E+00 -8.10144369E+00  6.74573467E+00 -2.99044683E+00
 -9.59142017E+00  1.02886440E+01 -1.73757950E+00 -8.03492705E+00  1.13818065E+01
 -2.69814596E+00 -9.47319840E+00  1.15026828E+01 -3.82489064E-01 -6.19219839E+00
  1.35411445E+01 -2.43351843E-01 -6.13379601E+00  8.59024551E+00  4.23776956E+00
  6.14913036E-01 -9.75056702E-01  1.41330838E+00 -1.03701764E+00  2.91405719E+00
 -1.53898156E+00 -1.12163999E+00 -1.00198547E+00 -1.10057454E+00  7.71860078E-01
  2.75443582E+00  1.13324746E+00  4.55301169E+00  1.13194885E+00  1.67097544E+00
  3.78849090E+00
Number of symbols in /Mol/                 I                0
Force Field                                I                0
Atom Types                                 C   N=          27
                                                            
                                                            
                                                            
                                                            
                                                            
                        
Int Atom Types                             I   N=          27
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0
MM charges                                 R   N=          27
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  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=          27
          14          12          12          16          12           1
           1          12          12          14           1          12
          12          12           1          12           1          12
           1          12           1           1           1           1
           1          16           1
Real atomic weights                        R   N=          27
  1.40030740E+01  1.20000000E+01  1.20000000E+01  1.59949146E+01  1.20000000E+01
  1.00782504E+00  1.00782504E+00  1.20000000E+01  1.20000000E+01  1.40030740E+01
  1.00782504E+00  1.20000000E+01  1.20000000E+01  1.20000000E+01  1.00782504E+00
  1.20000000E+01  1.00782504E+00  1.20000000E+01  1.00782504E+00  1.20000000E+01
  1.00782504E+00  1.00782504E+00  1.00782504E+00  1.00782504E+00  1.00782504E+00
  1.59949146E+01  1.00782504E+00
Atom fragment info                         I   N=          27
           0           0           0           0           0           0
           0           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=          27
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0
Nuclear spins                              I   N=          27
           2           0           0           0           0           1
           1           0           0           2           1           0
           0           0           1           0           1           0
           1           0           1           1           1           1
           1           0           1
Nuclear ZEff                               R   N=          27
 -4.55000000E+00 -3.60000000E+00 -3.60000000E+00 -5.60000000E+00 -3.60000000E+00
 -1.00000000E+00 -1.00000000E+00 -3.60000000E+00 -3.60000000E+00 -4.55000000E+00
 -1.00000000E+00 -3.60000000E+00 -3.60000000E+00 -3.60000000E+00 -1.00000000E+00
 -3.60000000E+00 -1.00000000E+00 -3.60000000E+00 -1.00000000E+00 -3.60000000E+00
 -1.00000000E+00 -1.00000000E+00 -1.00000000E+00 -1.00000000E+00 -1.00000000E+00
 -5.60000000E+00 -1.00000000E+00
Nuclear ZNuc                               R   N=          27
  7.00000000E+00  6.00000000E+00  6.00000000E+00  8.00000000E+00  6.00000000E+00
  1.00000000E+00  1.00000000E+00  6.00000000E+00  6.00000000E+00  7.00000000E+00
  1.00000000E+00  6.00000000E+00  6.00000000E+00  6.00000000E+00  1.00000000E+00
  6.00000000E+00  1.00000000E+00  6.00000000E+00  1.00000000E+00  6.00000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00
  8.00000000E+00  1.00000000E+00
Nuclear QMom                               R   N=          27
  2.04400000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  2.04400000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  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=          27
  4.03761000E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  2.79284600E+00  2.79284600E+00  0.00000000E+00  0.00000000E+00  4.03761000E-01
  2.79284600E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  2.79284600E+00
  0.00000000E+00  2.79284600E+00  0.00000000E+00  2.79284600E+00  0.00000000E+00
  2.79284600E+00  2.79284600E+00  2.79284600E+00  2.79284600E+00  2.79284600E+00
  0.00000000E+00  2.79284600E+00
MicOpt                                     I   N=          27
          -1          -1          -1          -1          -1          -1
          -1          -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
Number of contracted shells                I               42
Number of primitive shells                 I              126
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=          42
           0          -1           0          -1           0          -1
           0          -1           0          -1           0           0
           0          -1           0          -1           0          -1
           0           0          -1           0          -1           0
          -1           0           0          -1           0           0
          -1           0           0          -1           0           0
           0           0           0           0          -1           0
Number of primitives per shell             I   N=          42
           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
           3           3           3           3           3           3
           3           3           3           3           3           3
Shell to atom map                          I   N=          42
           1           1           2           2           3           3
           4           4           5           5           6           7
           8           8           9           9          10          10
          11          12          12          13          13          14
          14          15          16          16          17          18
          18          19          20          20          21          22
          23          24          25          26          26          27
Primitive exponents                        R   N=         126
  9.91061690E+01  1.80523124E+01  4.88566024E+00  3.78045588E+00  8.78496645E-01
  2.85714374E-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  1.30709321E+02  2.38088661E+01
  6.44360831E+00  5.03315132E+00  1.16959612E+00  3.80388960E-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  7.16168373E+01  1.30450963E+01  3.53051216E+00
  2.94124936E+00  6.83483096E-01  2.22289916E-01  9.91061690E+01  1.80523124E+01
  4.88566024E+00  3.78045588E+00  8.78496645E-01  2.85714374E-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  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  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  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  1.30709321E+02  2.38088661E+01  6.44360831E+00
  5.03315132E+00  1.16959612E+00  3.80388960E-01  3.42525091E+00  6.23913730E-01
  1.68855404E-01
Contraction coefficients                   R   N=         126
  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 -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
 -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 -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 -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  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=         126
  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  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
  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  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  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  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=         126
 -1.32248113E-01  6.27764598E-01  5.33145252E-01 -1.32248113E-01  6.27764598E-01
  5.33145252E-01  2.59422272E+00  1.83438232E-01 -2.44885336E-02  2.59422272E+00
  1.83438232E-01 -2.44885336E-02  3.96261876E+00 -9.89447473E-02  2.58564654E+00
  3.96261876E+00 -9.89447473E-02  2.58564654E+00  5.93043114E+00 -1.24035666E+00
  2.90642957E+00  5.93043114E+00 -1.24035666E+00  2.90642957E+00  3.69057174E+00
  2.48237067E+00 -1.50347026E+00  3.69057174E+00  2.48237067E+00 -1.50347026E+00
  3.48517037E+00  4.16696044E+00 -3.40459066E-01  2.54279656E+00  2.75804300E+00
 -3.19093286E+00  6.43520661E+00  2.12983696E+00 -2.25218981E+00  6.43520661E+00
  2.12983696E+00 -2.25218981E+00  8.47452399E+00  3.06797755E+00 -1.05804216E+00
  8.47452399E+00  3.06797755E+00 -1.05804216E+00  1.06786703E+01  2.33935364E+00
 -2.32145497E+00  1.06786703E+01  2.33935364E+00 -2.32145497E+00  1.24739526E+01
  2.66684784E+00 -1.70616368E+00  1.00007367E+01  8.23216529E-01 -4.37124210E+00
  1.00007367E+01  8.23216529E-01 -4.37124210E+00  7.35897515E+00  6.72364181E-01
 -4.39612956E+00  7.35897515E+00  6.72364181E-01 -4.39612956E+00  6.17168845E+00
 -7.24257864E-01 -6.31760190E+00  6.17168845E+00 -7.24257864E-01 -6.31760190E+00
  4.13175515E+00 -8.64938767E-01 -6.39028249E+00  7.63104712E+00 -1.90626362E+00
 -8.10144369E+00  7.63104712E+00 -1.90626362E+00 -8.10144369E+00  6.74573467E+00
 -2.99044683E+00 -9.59142017E+00  1.02886440E+01 -1.73757950E+00 -8.03492705E+00
  1.02886440E+01 -1.73757950E+00 -8.03492705E+00  1.13818065E+01 -2.69814596E+00
 -9.47319840E+00  1.15026828E+01 -3.82489064E-01 -6.19219839E+00  1.15026828E+01
 -3.82489064E-01 -6.19219839E+00  1.35411445E+01 -2.43351843E-01 -6.13379601E+00
  8.59024551E+00  4.23776956E+00  6.14913036E-01 -9.75056702E-01  1.41330838E+00
 -1.03701764E+00  2.91405719E+00 -1.53898156E+00 -1.12163999E+00 -1.00198547E+00
 -1.10057454E+00  7.71860078E-01  2.75443582E+00  1.13324746E+00  4.55301169E+00
  2.75443582E+00  1.13324746E+00  4.55301169E+00  1.13194885E+00  1.67097544E+00
  3.78849090E+00
Num ILSW                                   I              100
ILSW                                       I   N=         100
           0           0           0           0           2           0
           0           0           0           0           0          -1
           5           0           0           0           0           0
           0           0           0           0           0           0
           1           1           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           0           0           0           0
           0           0           0          27           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
  1.00000000E+00  1.00000000E+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
  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                4
NBond                                      I   N=          27
           3           4           3           1           4           1
           1           3           3           3           1           3
           3           3           1           3           1           3
           1           3           1           1           1           1
           1           2           1
IBond                                      I   N=         108
           2          23          25           0           1           3
           5          24           2           4          26           0
           3           0           0           0           2           6
           7           8           5           0           0           0
           5           0           0           0           5           9
          13           0           8          10          22           0
           9          11          12           0          10           0
           0           0          10          13          20           0
           8          12          14           0          13          15
          16           0          14           0           0           0
          14          17          18           0          16           0
           0           0          16          19          20           0
          18           0           0           0          12          18
          21           0          20           0           0           0
           9           0           0           0           1           0
           0           0           2           0           0           0
           1           0           0           0           3          27
           0           0          26           0           0           0
RBond                                      R   N=         108
  1.00000000E+00  1.00000000E+00  1.00000000E+00  0.00000000E+00  1.00000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00  2.00000000E+00
  1.50000000E+00  0.00000000E+00  2.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00
  1.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00  2.00000000E+00
  1.00000000E+00  0.00000000E+00  2.00000000E+00  1.00000000E+00  1.00000000E+00
  0.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00  0.00000000E+00
  1.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00
  1.50000000E+00  1.50000000E+00  0.00000000E+00  1.00000000E+00  1.50000000E+00
  1.50000000E+00  0.00000000E+00  1.50000000E+00  1.00000000E+00  1.50000000E+00
  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  1.50000000E+00  1.00000000E+00  1.50000000E+00  0.00000000E+00  1.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.50000000E+00  1.00000000E+00
  1.50000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  1.50000000E+00  1.50000000E+00  1.00000000E+00  0.00000000E+00
  1.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  1.50000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
Virial Ratio                               R      2.009190975552863E+00
SCF Energy                                 R     -6.735905711573295E+02
Total Energy                               R     -6.735905711573295E+02
RMS Density                                R      6.573860668249212E-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=          87
 -2.02690029E+01 -2.02422818E+01 -1.53897248E+01 -1.53454286E+01 -1.11481690E+01
 -1.10984710E+01 -1.10680736E+01 -1.10651518E+01 -1.10633631E+01 -1.10254040E+01
 -1.10252678E+01 -1.10239059E+01 -1.10160427E+01 -1.10149152E+01 -1.10115487E+01
 -1.34767973E+00 -1.25783889E+00 -1.21998807E+00 -1.15379019E+00 -1.07454723E+00
 -1.02552467E+00 -9.59273432E-01 -9.36775786E-01 -9.13338007E-01 -8.37641252E-01
 -7.83051427E-01 -7.49374500E-01 -7.10597959E-01 -6.92634069E-01 -6.69163395E-01
 -6.48388958E-01 -6.16892287E-01 -6.02324153E-01 -5.98356664E-01 -5.80763082E-01
 -5.56460292E-01 -5.42814291E-01 -5.36860138E-01 -5.24088459E-01 -5.17742055E-01
 -4.97934971E-01 -4.87160197E-01 -4.78773836E-01 -4.59727110E-01 -4.44625302E-01
 -4.38476701E-01 -4.16688434E-01 -4.13912220E-01 -3.69714569E-01 -3.28525028E-01
 -3.25620315E-01 -3.06744656E-01 -2.42586043E-01 -2.25668688E-01  2.47576547E-01
  2.95186203E-01  3.18509987E-01  3.69439535E-01  5.21849388E-01  5.33597264E-01
  5.60984807E-01  5.68572584E-01  5.78367119E-01  6.12576781E-01  6.16757913E-01
  6.26558850E-01  6.44065756E-01  6.53055089E-01  6.77436631E-01  6.85124576E-01
  6.91117478E-01  7.16693492E-01  7.22605744E-01  7.42018042E-01  7.44633456E-01
  7.54212901E-01  7.71005887E-01  8.02945090E-01  8.25684465E-01  8.83595471E-01
  9.13202904E-01  9.59773717E-01  9.64833790E-01  1.00407693E+00  1.08620667E+00
  1.14488466E+00  1.17394482E+00
Alpha MO coefficients                      R   N=        7569
 -5.28516442E-05  3.73077347E-04  8.62986125E-05  1.76803321E-04  5.09017803E-04
 -3.07050045E-05  2.90702035E-04 -1.80628852E-04  1.97345483E-04  3.66066184E-04
  5.12830124E-04 -4.53942308E-03  1.99708654E-03 -2.10833434E-03 -3.45505676E-03
  1.22911481E-03  2.55273458E-04 -1.38767088E-04  2.01024324E-04  4.44127780E-04
 -5.55774353E-06 -6.56263299E-07  1.70118555E-05 -3.17410807E-05  3.04876935E-05
  7.95813139E-05  1.05819953E-05  2.84204213E-06 -1.97174650E-05  3.91844227E-06
  8.60153870E-06 -1.42615877E-05  5.38976574E-08  3.19660585E-10 -5.78352384E-06
 -4.51319125E-06  1.70037791E-07 -1.29738668E-07  1.43645018E-06 -7.46249034E-07
  7.67831792E-07  5.26684495E-07 -1.57799532E-07 -2.53582640E-08  3.01476129E-07
 -1.64740376E-07 -1.19240978E-07 -1.61377370E-07 -2.46375556E-07  1.68027643E-06
 -1.78478500E-06 -4.23927906E-07  1.69542434E-06  5.28508832E-08 -8.98350078E-07
  3.38133540E-07  8.65326398E-08  2.84069773E-07  1.54489132E-06 -1.91896987E-08
  2.20599321E-07 -8.93687519E-08  1.20067471E-07  7.68385393E-08 -3.13266047E-08
 -5.06692215E-10 -7.25950873E-10  1.50852378E-09 -4.43336704E-09  8.39889396E-09
  5.05097650E-09  1.40117156E-09 -5.00010379E-08  2.78212939E-08  2.36795481E-09
 -2.11436588E-08  9.64079083E-09  8.63270158E-06  7.12611413E-05  1.84498640E-05
  8.27625185E-05  9.94139525E-01  2.62667590E-02 -1.18419974E-03 -7.18935312E-04
 -3.99138145E-03 -5.83374022E-03  3.50991282E-06 -6.50368143E-06 -1.60214605E-05
  1.17820485E-05 -7.62937607E-05 -2.25832477E-05  2.09969285E-04  3.32669965E-04
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Orthonormal basis                          R   N=        7569
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 -1.49097270E-01 -2.15964286E-01  6.85812379E-02 -1.16891781E-01  1.29425988E-03
  3.00452061E-02 -6.11121352E-03  1.57016736E-03 -7.82612619E-03 -2.93467627E-04
  1.59225422E-03  5.40610159E-03  3.63608358E-03  3.41028287E-03 -1.72817096E-02
 -1.24954605E-02  1.12757279E-03  4.90961385E-03 -1.55859377E-02  7.55565077E-02
  1.05579771E-02  1.99070413E-02 -1.93068958E-02  3.77910341E-03 -1.84495707E-02
  2.50865876E-03 -2.81469517E-03  1.14173152E-02 -8.67867674E-04  4.32875171E-03
 -2.68217694E-03  1.71099247E-03 -2.37160695E-03  3.44170223E-02 -1.78820253E-01
  4.87220404E-03  1.45118878E-02  4.04697849E-02  5.05500178E-02  8.99831255E-02
 -1.10325415E-02  3.39436469E-02 -1.44893948E-01 -1.01505395E-01 -1.34096583E-01
 -4.69047177E-02  2.65241915E-01  2.77839412E-03 -3.71938022E-02 -5.59750171E-02
  4.03981465E-02 -2.25641089E-01  1.65040626E-01  2.54273739E-02  1.89806083E-02
  5.18992802E-03 -1.09001881E-03  8.12285684E-03 -3.40159628E-01  1.90964996E-01
  2.93033824E-01  1.30459701E-01 -6.86570352E-01  9.55787988E-03  1.23570376E-01
  1.78833310E-01 -1.82265238E-01  9.67436645E-01  2.08794193E-01 -7.35304565E-03
 -2.33929474E-02 -2.59656358E-01  7.10475639E-02 -3.97687209E-01  3.64861176E-01
 -1.15650548E-01 -1.89627755E-01  1.25374125E-01  1.60389627E-01 -8.69189000E-01
 -2.67530677E-01 -1.95648564E-01 -2.59510018E-01  2.57957725E-01 -2.00968756E-01
  1.08738851E+00 -2.13640920E-01 -1.54667357E-01 -2.04174174E-01 -2.92305393E-01
 -6.95373037E-02 -6.50930713E-04 -2.12794020E-02  3.96751978E-03 -5.96139555E-04
  3.01754411E-03 -2.94067208E-04 -4.32519530E-04 -2.32443682E-03 -1.55102460E-03
  2.13263949E-03 -1.03687330E-02 -1.17853834E-02 -1.94534105E-03  2.71848569E-03
 -1.27204908E-02  6.66927330E-02  1.79659408E-02  1.85867287E-02 -9.85860061E-03
  4.32227901E-03 -2.22764688E-02 -2.50174033E-03  2.09248275E-04  1.42145171E-02
 -1.39307280E-03  8.09517749E-03 -5.05577336E-03  2.97086418E-03 -2.47436209E-03
  5.18978053E-02 -2.48256221E-01 -1.11621042E-01 -2.81443119E-02 -1.62183286E-02
  9.44926126E-02  4.84647940E-02 -2.34745431E-01  1.34606848E+00  6.42910567E-01
  1.08251853E-01  1.10592968E-01  2.00437918E-01 -1.15784431E+00  4.21108245E-01
  3.09500755E-01  4.17514780E-01 -4.95712885E-02  2.71462402E-01 -2.14616734E-01
  3.42461691E-02  6.96415135E-02 -6.39814256E-03 -1.30327767E-02  7.45503231E-02
 -2.09390141E-01  3.82105145E-02  7.07411300E-02  8.81884343E-02 -4.89554985E-01
 -6.18764030E-02 -2.74803098E-01 -3.87124269E-01  5.06829681E-02 -3.17150022E-01
 -1.59621866E-01  7.31414776E-02  1.15173748E-01  3.62848878E-02 -7.77503004E-02
  4.44140946E-01  1.58608343E-02  8.51987500E-02  1.20447205E-01 -8.63431396E-02
  6.45543095E-02 -3.53818160E-01  8.00579009E-02 -6.23978468E-02 -9.36937907E-02
  5.73368365E-02 -4.77220723E-02  2.78084964E-01 -6.26781528E-02 -2.90478147E-02
 -3.73792602E-02 -6.31336407E-02  1.32842722E-01 -4.48908470E-03 -2.12255962E-02
  1.09896016E-03 -2.66252340E-04  1.36098058E-03 -7.60294464E-04  1.23428734E-04
 -1.01792010E-03 -2.11640594E-03 -2.77158311E-04  1.25871001E-03  2.22431023E-03
  7.96702495E-04 -5.69290631E-04  1.74094731E-03 -9.41472597E-03 -2.47694246E-03
 -5.88058733E-03  3.71211034E-03 -4.16065572E-04  2.06825155E-03  9.48620963E-04
  2.25710907E-05 -1.70987487E-03  1.48080908E-04 -9.64701832E-04  6.01957303E-04
 -4.46451838E-04  1.56585193E-04 -1.23038773E-02  6.01366525E-02  2.16675543E-02
  5.85051120E-05 -1.14648768E-02 -1.70876358E-02 -2.23291715E-02  6.73073974E-02
 -3.70171827E-01 -1.61827504E-01  2.54882136E-02  4.83498078E-02 -3.72523687E-02
  2.23192203E-01 -9.98540969E-02 -6.73754855E-02 -8.97192921E-02 -1.04752442E-02
  4.60584749E-02  1.21251000E-02 -5.13055743E-02 -7.38803861E-02 -3.53480965E-04
  1.47181449E-01 -8.48983847E-01  2.18042013E-01  1.68405899E-01  2.25692121E-01
 -1.63266535E-01  9.36521535E-01  2.28407547E-01 -1.01679452E-01 -1.63708108E-01
  1.51170713E-01 -8.73833554E-01 -3.65243699E-01  7.03856568E-03  3.39145728E-02
  1.19761133E-01 -1.49411583E-01  8.63954642E-01  9.83211516E-02  2.09717115E-01
  2.92800842E-01 -1.16880427E-01  1.52481427E-01 -8.88541428E-01  1.22915514E-01
 -1.99203029E-01 -2.90722588E-01  1.26108743E-01 -1.51757447E-01  8.78770680E-01
 -3.92277320E-01 -7.18539336E-02 -7.50081775E-02 -1.03325742E-01 -1.65941690E-02
  1.49016011E-03 -6.10987729E-04  1.98109989E-04 -9.59655258E-06  4.25099401E-05
  2.29906499E-04 -1.31615516E-04 -7.88207473E-05  4.68952264E-04
Total SCF Density                          R   N=        3828
  2.08673601E+00 -3.48000455E-01  1.52621351E+00  6.20765107E-03 -1.37087989E-02
  7.28262836E-01 -6.04739031E-02  3.28643984E-01 -5.39927947E-02  1.01681289E+00
 -8.34263203E-02  4.54135437E-01 -7.55340586E-02  4.05951012E-01  1.28797564E+00
  1.02963471E-02 -2.19475312E-02 -9.37051638E-02  1.73497708E-02  2.43092388E-02
  2.06797869E+00 -1.54122624E-02 -3.25998569E-02  2.85410559E-01 -5.37072371E-02
 -7.55072088E-02 -2.28970950E-01  9.23385214E-01  6.03607139E-02 -1.80766058E-01
 -5.37699221E-01  1.30369373E-01  1.71074662E-01 -1.02338917E-02  3.13560762E-02
  5.70417846E-01 -1.15782963E-02  3.36307881E-02  7.49031328E-02 -2.02242585E-02
 -1.76994126E-02  2.25365244E-03  1.27417364E-02  2.29746539E-02  6.68140058E-01
 -1.40533450E-02  3.72769454E-02  8.41779132E-02 -1.02102481E-02 -4.12653359E-03
  3.35209769E-03  6.13993488E-03  2.56996902E-02 -1.51770311E-02  6.63941913E-01
 -4.98203953E-03  2.47147536E-02  1.79603381E-02  3.51204022E-03  1.70125041E-02
  1.71083887E-02 -4.54874588E-02 -4.63160109E-02  7.82540179E-03 -9.64329410E-02
  2.07281220E+00  2.02269849E-02 -9.25979933E-02 -7.77596691E-02 -1.81373869E-02
 -8.01114397E-02 -4.46497488E-02  7.06763346E-02  1.40492907E-01 -2.00396435E-02
  3.00664933E-01 -2.41126216E-01  9.32864793E-01 -1.68676078E-02  8.24875481E-02
  5.07993927E-02  2.16618416E-03  3.24302627E-02  3.60289000E-02 -9.02358509E-02
 -8.41480209E-02  2.81196125E-02 -2.02069220E-01  9.73970319E-03 -7.16625151E-02
  6.26196052E-01  1.26201175E-03 -5.03987719E-03 -1.07418917E-02 -1.13709671E-02
 -6.06459509E-03 -8.62216036E-03  2.09945747E-02  2.89715747E-02  1.86096030E-02
  2.47866450E-02 -2.57349189E-04  2.23374512E-02  5.79867065E-02  6.59703798E-01
 -1.85736860E-02  9.56313704E-02  5.83468262E-02  3.28256975E-02  8.97798023E-02
  6.73750116E-02 -1.79411084E-01 -1.89611018E-01  2.87020895E-02 -3.68168663E-01
  1.61901204E-02 -5.78322873E-02  9.37060242E-03 -3.31050040E-02  5.87475932E-01
  4.89653382E-04 -1.48354666E-03 -4.59616152E-03  1.28777315E-03 -7.62674738E-04
 -2.02838137E-03  4.38258824E-03  9.57618895E-03 -6.57809053E-03  4.89034460E-03
  1.23304876E-02 -1.59374094E-03 -3.43074595E-02  1.89877770E-02 -8.37714356E-03
  2.11056510E+00 -6.29751741E-04 -1.70503640E-03  1.73661503E-02 -6.55034289E-03
  1.92863149E-03  4.15483675E-03 -8.38771121E-04 -3.10055893E-02  2.50313494E-02
 -6.59534586E-03 -6.60572906E-03 -1.83593976E-01 -3.34553483E-02  2.31398570E-02
  8.88445934E-03 -4.64761117E-01  2.06224180E+00  3.13646668E-03 -1.59014689E-02
 -2.55552268E-02  1.84670003E-03  1.50667797E-03 -1.86436116E-02  6.56054110E-02
  5.35450783E-02 -5.39509458E-02  8.72232457E-02  1.32995909E-01 -3.82844248E-01
 -2.22427358E-01  5.69717360E-01 -1.55045124E-01 -8.43865758E-02  4.86139603E-01
  1.01499378E+00 -5.45050174E-03  2.44697709E-02  4.94558425E-02 -1.61975550E-02
 -7.81064908E-03 -7.15532491E-04  1.49571707E-02 -2.11495585E-02 -4.53491904E-02
  1.64986322E-02 -7.81633642E-02  2.22215327E-01  5.75405255E-01  4.06255335E-01
 -2.43316994E-02  4.97846176E-02 -2.86310415E-01  3.79534695E-02  1.09334668E+00
  1.66694577E-02 -9.16014434E-02 -6.63421633E-02 -7.35926548E-03 -2.32996585E-02
 -4.98612204E-02  2.33803032E-01  1.37050571E-01 -3.71379031E-02  2.45302139E-01
  1.54402860E-02 -4.90595868E-02 -1.63413639E-01 -2.36427664E-02  2.38043758E-01
 -1.26013868E-02  7.40074848E-02 -2.14408335E-02  1.85187733E-01  1.80118970E+00
 -3.77660488E-03  1.62884155E-02  1.38060762E-02  1.20479288E-02 -1.07437245E-02
  1.47750521E-02 -3.57164503E-02 -3.14007754E-02 -7.22064458E-02  4.38428949E-02
 -3.47023190E-03  1.34295293E-02 -1.80577703E-03  8.63114313E-03 -1.40895053E-02
  1.63245245E-04 -8.99475412E-04  1.01375538E-02  1.48179974E-02 -4.93152872E-04
  2.06660917E+00  1.29114829E-02 -4.98388253E-02 -5.22357892E-02 -5.32465090E-02
  4.03397917E-02 -3.70937608E-02  4.05659137E-02  8.69764335E-02  2.17326286E-01
 -1.23448209E-01  1.36365718E-02 -4.69973923E-02  2.78663150E-03 -3.99426489E-02
  5.62047775E-02 -8.75504008E-04  3.79770816E-03 -4.42425199E-02 -5.98279137E-02
 -1.76304431E-03 -2.12715062E-01  8.42165400E-01 -1.68169392E-02  7.82063145E-02
  5.68150139E-02  1.02764155E-02 -4.62188272E-02  3.27533437E-02 -8.78356546E-02
 -5.43123406E-02 -1.47664459E-01  8.92905949E-02  7.10194477E-04 -5.76304197E-03
  1.98461701E-03  9.72404400E-03 -3.86761381E-04  4.75578322E-04 -3.29443514E-04
  1.88621811E-02  1.93087698E-02  9.62311944E-03  9.27167439E-04  3.82359155E-03
  6.41180455E-01 -5.04751054E-03  2.17719163E-02  4.64661995E-02  2.35783280E-02
 -2.84248084E-02  7.26072158E-02 -2.19690661E-01 -1.56371649E-01 -3.52312219E-01
  2.11558138E-01 -9.59720823E-03  3.87313558E-02 -1.15353600E-02  9.47553913E-03
 -4.54341100E-02  9.05055353E-04 -4.72137477E-03  4.63844125E-02  6.28489139E-02
 -1.86310662E-03 -1.35456912E-03 -1.40296278E-02 -4.18043959E-03  6.31329942E-01
  8.10001343E-03 -3.88618466E-02 -4.54338968E-02 -2.39466490E-02 -1.86555904E-02
 -4.73195615E-02  1.38687501E-01  9.66299913E-02  2.14216504E-01 -1.32603548E-01
  1.60882743E-02 -7.10092921E-02  2.89674993E-02 -1.52165814E-02  5.84506428E-02
 -7.68834178E-04  3.98530498E-03 -3.84016853E-02 -5.10721574E-02  1.57011456E-03
 -5.88172682E-04  8.85829644E-03  1.19937545E-02  2.17004733E-02  6.43052968E-01
  3.84795412E-03 -1.43777388E-02 -2.42180242E-02  6.42705972E-03  1.03353156E-02
  1.91938959E-02 -8.41119311E-02 -3.51360808E-02 -1.17293188E-01  4.96855482E-03
  8.62496609E-03 -3.47855294E-02  1.63022850E-02 -1.27255676E-02  3.79802124E-02
 -2.70129367E-04 -6.03396736E-04 -4.80155466E-03 -2.14626720E-03 -1.97618474E-02
 -9.40753268E-02  2.21247281E-01 -4.65265902E-02  4.82395835E-01  3.51841850E-01
  6.20559358E-01  8.85398402E-03 -3.61716044E-02 -2.63994006E-02 -5.21109597E-03
  3.24965666E-02  1.94100207E-02 -7.92032211E-02 -9.42945086E-03 -7.36124972E-02
  9.82969280E-02 -1.80738380E-02  7.37427769E-02 -3.45453532E-02  1.14632300E-02
 -7.47188826E-02  1.48921711E-03 -5.21186639E-03  3.36116022E-02  3.67616891E-02
  2.80821265E-02 -9.41396723E-02  2.21402828E-01 -3.28744945E-01  5.96827698E-02
 -4.95007431E-01 -1.29069458E-01  6.29072953E-01  2.51397690E-03 -1.16224221E-02
 -1.38124888E-02 -2.72932686E-04  6.77901396E-03 -3.80996131E-03  1.36740064E-02
  1.18594635E-02  7.29691864E-03 -8.26585805E-03 -8.55408775E-04  2.62822273E-03
  1.98093443E-04  1.74826503E-03 -3.55635348E-03 -7.25863880E-05  1.24577124E-04
  3.89686594E-04  1.31179862E-03  1.08278745E-03  1.85218638E-02 -5.22455064E-02
 -1.04725748E-01  1.73562010E-02  2.77283116E-02  2.08037211E-02  2.02958467E-02
  2.06922333E+00 -9.51727740E-03  4.23259487E-02  5.65352467E-02  3.13790942E-03
 -2.91312024E-02  1.39619720E-02 -4.45398382E-02 -5.17953552E-02 -2.65159799E-02
  3.28606780E-02  2.75839156E-03 -8.60731629E-03 -5.30312566E-04 -4.82957005E-03
  1.17222653E-02  7.25015813E-06  6.42353956E-04 -1.97598646E-03 -2.65017553E-03
 -8.19928010E-03 -4.73196940E-02  8.46871776E-02  3.15092268E-01 -5.72855359E-02
 -7.76922941E-02 -7.97037152E-02 -8.79674446E-02 -2.09440091E-01  8.03982683E-01
  1.13412154E-02 -5.46005226E-02 -5.99844930E-02 -9.90497116E-04  3.01642159E-02
 -1.44029389E-02  5.18116920E-02  4.19698073E-02  3.83008718E-02 -3.48541049E-02
 -2.91707446E-03  1.04395902E-02 -2.78762176E-03  2.72446486E-03 -1.33280725E-02
  6.67472321E-04 -2.98896993E-03  1.12616365E-03 -1.04138430E-03  9.83131492E-03
  8.60226692E-02 -2.39906788E-01 -4.59430791E-01  6.95318020E-02  1.16323300E-01
  7.53339124E-02  9.59113770E-02  1.88589236E-03 -3.55871012E-02  5.83998079E-01
  1.71080909E-03 -9.65964465E-03 -9.17395181E-03  6.42748567E-03 -3.04854420E-03
 -1.47753029E-02  7.02011658E-02  1.38764986E-02  3.51871362E-02 -2.93189177E-02
 -6.29784188E-04 -1.27225481E-03  4.37899003E-03  1.14265741E-02 -5.09657581E-03
 -1.41152241E-03  6.64879817E-03 -3.31960116E-03  3.83849907E-03 -2.03266622E-03
 -8.37417690E-03  2.31935343E-02  6.66201078E-02  1.80813405E-02 -3.79332820E-02
 -6.05208358E-02 -3.89778994E-02  7.68271911E-04 -1.33407893E-02 -1.92633454E-02
  7.97117145E-01 -4.65706918E-03  2.36377800E-02  2.72726396E-02 -4.01691425E-03
 -7.36146099E-03  1.32648180E-02 -5.88836663E-02 -2.61141414E-02 -4.37306550E-02
  1.71973354E-02  2.32634734E-03 -5.05008575E-03 -2.33002503E-03 -1.17087581E-02
  1.12943560E-02  1.44613584E-03 -6.32166439E-03  1.60650935E-03 -6.29924619E-03
 -5.86489911E-04 -2.58634583E-02  7.52279621E-02  1.23040051E-01 -3.82431013E-02
 -1.64082050E-02 -3.87114617E-02  3.88886162E-02  2.27547735E-03 -2.40883356E-02
  3.70403938E-03 -1.49938215E-01  6.88040939E-01 -5.60102155E-04  2.88590817E-03
  2.77568394E-03 -3.86167695E-04 -2.66766253E-03  8.32964169E-04 -3.72186955E-03
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Mulliken Charges                           R   N=          27
 -4.05349572E-01  1.92284424E-02  2.98919199E-01 -2.60769331E-01 -1.05999910E-01
  6.66399093E-02  6.07875294E-02 -3.56566949E-02  4.33907411E-02 -3.21558483E-01
  2.16300231E-01  1.05706033E-01 -2.36614236E-02 -6.48920503E-02  5.52420431E-02
 -7.51759963E-02  5.69949439E-02 -5.93566238E-02  6.07578996E-02 -8.26025750E-02
  6.15840746E-02  7.73140587E-02  1.63263002E-01  6.59972109E-02  1.61111176E-01
 -3.12238416E-01  2.34024582E-01
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=          27
           1           1           1           1           1           1
           1           1           1           1           1           1
           1           1           1           1           1           1
           1           1           1           1           1           1
           1           1           1
Atom Modifiers                             I   N=          27
           0           0           0           0           0           0
           0           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=          27
                                                            
                                                            
                                                            
                                                            
                                                            
                        
Int Atom Modified Types                    I   N=          27
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0
Link Atoms                                 I   N=          27
           0           0           0           0           0           0
           0           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=          27
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  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=         108
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  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=          81
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  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=          81
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00
Dipole Moment                              R   N=           3
 -4.75078051E-01  3.75624733E-01 -8.77967421E-01
Polarizability                             R   N=           6
  9.51154357E+01 -2.27758709E+00  4.99963675E+01 -3.77571197E+00  3.04190407E+01
  7.72608709E+01
HyperPolarizability                        R   N=          10
  6.82817625E+00  1.31529423E+01  1.44097922E+00 -1.39799369E+01  8.77998584E+00
  1.29136256E+01 -2.66199394E+01  2.98965470E+00 -4.30738295E+01 -5.50808132E+01
Quadrupole Moment                          R   N=           6
  6.75402007E+00  4.67835860E-01 -7.22185593E+00  6.06897509E+00 -3.01070753E+00
  1.34824342E+00
QEq coupling tensors                       R   N=         162
 -7.23150949E-01 -1.44045425E-01  2.02091650E-02 -2.06393493E-01  1.03742962E+00
  7.02941784E-01 -1.19368596E-01  4.00046931E-02  6.99523645E-02  3.75232596E-02
 -2.34315533E-02  4.94162312E-02 -1.88049284E-02  8.60117381E-02  2.43275889E-02
  3.65205520E-02 -4.47552502E-02 -5.52266049E-03 -1.12239070E+00  1.10347100E-01
 -8.51371258E-01 -7.82490915E-02  7.40037331E-01  1.97376196E+00  1.07842502E-02
 -8.43117885E-03 -1.61736101E-02  1.67575538E-02  3.92889311E-02  5.38935988E-03
  1.53622072E-01  3.58575780E-02 -1.58862734E-01  2.63788155E-02 -2.17261780E-01
  5.24066247E-03  8.15088717E-03  3.04857921E-02  1.50510698E-01 -2.14535406E-01
  5.16118726E-02 -1.58661585E-01 -1.85543886E-01 -2.36653602E-02  1.73021418E-01
  1.80330065E-02 -2.18794437E-01  1.25224680E-02 -1.73242164E-01  4.74230314E-02
  1.67186042E-01  1.17313029E-01 -1.77018808E-01  6.05612262E-03 -7.80791020E-01
 -2.11803511E-02  7.90553902E-01 -4.23947342E-02 -9.98649610E-01 -9.76288193E-03
 -3.28040350E-01 -9.21874956E-02  1.95025423E-01 -1.71524756E-01 -5.75632896E-02
  1.33014927E-01  2.16677100E-02 -5.92373040E-02  5.35426806E-02 -5.94150243E-02
 -2.21501738E-01 -7.52103906E-02 -1.03720681E-01 -1.45156416E-02  1.05581894E-01
  5.06648123E-03 -1.51647645E-01 -1.86121274E-03 -8.85963794E-02 -1.38744957E-02
  8.28382551E-02 -4.82122140E-03 -1.07238077E-01  5.75812437E-03 -3.28584047E-01
 -3.39737056E-02  1.65288587E-01 -1.64762060E-02 -5.50975597E-03  1.63295460E-01
 -1.01933793E-01 -8.87658286E-03  1.03334013E-01  7.26787037E-03 -1.43102062E-01
 -1.40021936E-03  6.69486622E-02 -1.12903833E-01  2.99859291E-02 -1.54288122E-01
 -1.95441095E-01 -9.69345913E-02 -6.88198492E-02 -7.82778908E-03  7.46675764E-02
  2.79410246E-03 -1.12136308E-01 -5.84772713E-03  2.02748713E-02  1.22285198E-01
  5.86679001E-02  1.83833014E-01 -1.66524514E-01 -7.89427714E-02 -1.18967448E-01
  5.70563412E-03  1.21626361E-01  3.43907236E-02 -1.61362935E-01 -2.65891260E-03
 -3.28564284E-01 -3.34390827E-02  1.66125125E-01 -1.30484445E-02 -8.13966936E-03
  1.62439159E-01  1.55085499E-01 -1.55706835E-02  9.20668262E-03 -2.05517634E-02
 -2.38643349E-01 -1.64292182E-01  6.36636590E-02  9.24995609E-02  9.00636979E-02
 -1.91451775E-01  2.05662227E-01 -1.53727357E-01  1.40471274E-01  5.42059397E-02
 -1.64941682E-01  3.66693151E-02 -2.04553480E-01  2.44704081E-02  5.69715639E-02
 -2.15408380E-01 -2.44182977E-01  2.53240475E-02  8.62983260E-02  1.87211413E-01
 -1.04307868E+00  1.56438991E+00  1.05782441E+00  1.59517607E-01 -7.97099703E-01
 -1.47457298E-02 -2.42243686E-01  1.68125142E-01  1.32859151E-01 -1.50773287E-01
  4.75842833E-02  1.09384535E-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
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  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
Gaussian Version                           C   N=           2
ES64L-G16RevA.03