File: C_bigbasis.fchk

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Title card required                                                     
SP        RHF                                                         Aug-CC-pVQZ         
Number of atoms                            I                1
Info1-9                                    I   N=           9
           8           8           0           0           0         111
           1           1           2
Full Title                                 C   N=           2
Title card required     
Route                                      C   N=           5
#p HF/aug-cc-pVQZ pop=full iop(3/33=1,3/36=-1) gfinput      
Charge                                     I                0
Multiplicity                               I                1
Number of electrons                        I                6
Number of alpha electrons                  I                3
Number of beta electrons                   I                3
Number of basis functions                  I               80
Number of independent functions            I               80
Number of point charges in /Mol/           I                0
Number of translation vectors              I                0
Atomic numbers                             I   N=           1
           6
Nuclear charges                            R   N=           1
  6.00000000E+00
Current cartesian coordinates              R   N=           3
  0.00000000E+00  0.00000000E+00  0.00000000E+00
Number of symbols in /Mol/                 I                0
Force Field                                I                0
Atom Types                                 C   N=           1
            
Int Atom Types                             I   N=           1
           0
MM charges                                 R   N=           1
  0.00000000E+00
Integer atomic weights                     I   N=           1
          12
Real atomic weights                        R   N=           1
  1.20000000E+01
Atom fragment info                         I   N=           1
           0
Atom residue num                           I   N=           1
           0
Nuclear spins                              I   N=           1
           0
Nuclear ZEff                               R   N=           1
 -3.60000000E+00
Nuclear ZNuc                               R   N=           1
  6.00000000E+00
Nuclear QMom                               R   N=           1
  0.00000000E+00
Nuclear GFac                               R   N=           1
  0.00000000E+00
MicOpt                                     I   N=           1
          -1
Number of residues                         I                0
Number of secondary structures             I                0
SymInf integers                            I   N=          26
           1           8           1           1           1           1
          -1          -1          -1           1          -1          -1
          -1           1          -1          -1          -1          -1
           1           1           1          -1           1           1
           1          -1
RotTr to input orientation                 R   N=          12
  0.00000000E+00  0.00000000E+00 -1.00000000E+00  0.00000000E+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
Number of contracted shells                I               20
Number of primitive shells                 I               35
Pure/Cartesian d shells                    I                0
Pure/Cartesian f shells                    I                0
Highest angular momentum                   I                4
Largest degree of contraction              I                8
Shell types                                I   N=          20
           0           0           0           0           0           0
           1           1           1           1           1          -2
          -2          -2          -2          -3          -3          -3
          -4          -4
Number of primitives per shell             I   N=          20
           8           7           1           1           1           1
           3           1           1           1           1           1
           1           1           1           1           1           1
           1           1
Shell to atom map                          I   N=          20
           1           1           1           1           1           1
           1           1           1           1           1           1
           1           1           1           1           1           1
           1           1
Primitive exponents                        R   N=          35
  3.39800000E+04  5.08900000E+03  1.15700000E+03  3.26600000E+02  1.06100000E+02
  3.81100000E+01  1.47500000E+01  6.03500000E+00  5.08900000E+03  3.26600000E+02
  1.06100000E+02  3.81100000E+01  1.47500000E+01  6.03500000E+00  2.53000000E+00
  7.35500000E-01  2.90500000E-01  1.11100000E-01  4.14500000E-02  3.45100000E+01
  7.91500000E+00  2.36800000E+00  8.13200000E-01  2.89000000E-01  1.00700000E-01
  3.21800000E-02  1.84800000E+00  6.49000000E-01  2.28000000E-01  7.66000000E-02
  1.41900000E+00  4.85000000E-01  1.87000000E-01  1.01100000E+00  4.24000000E-01
Contraction coefficients                   R   N=          35
  1.46812411E-04  1.11646002E-03  5.89088711E-03  2.42172555E-02  8.31716388E-02
  2.20568478E-01  4.28731497E-01  3.64361422E-01 -1.00226536E-05 -4.36589437E-04
 -1.93231273E-03 -2.14839477E-02 -9.03091657E-02 -4.18791512E-01 -5.31801906E-01
  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00  3.16878552E-02
  2.12894307E-01  8.39586752E-01  1.00000000E+00  1.00000000E+00  1.00000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00
Coordinates of each shell                  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
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           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           1           4          52           0           0
           0           0           0           0           0           0
           0           0           0           1           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                1
NBond                                      I   N=           1
           0
IBond                                      I   N=           1
           0
RBond                                      R   N=           1
  0.00000000E+00
Virial Ratio                               R      2.000024255554548E+00
SCF Energy                                 R     -3.760454245753391E+01
Total Energy                               R     -3.760454245753391E+01
RMS Density                                R      4.217073492819002E-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=          80
 -1.13649902E+01 -7.25629627E-01 -3.58430162E-01  1.88580582E-02  1.88580582E-02
  8.34191603E-02  8.99004187E-02  1.08244560E-01  1.08244560E-01  2.32374115E-01
  2.32374115E-01  2.41640387E-01  2.41640387E-01  2.45417723E-01  4.45331313E-01
  4.63968355E-01  4.63968355E-01  5.03207381E-01  7.44144654E-01  7.44144654E-01
  7.62264534E-01  7.62264534E-01  7.73568385E-01  7.73568385E-01  7.75669733E-01
  7.75669733E-01  7.77426190E-01  7.91144919E-01  7.91144919E-01  7.98435020E-01
  1.59145176E+00  1.59145176E+00  1.60860603E+00  2.08998959E+00  2.08998959E+00
  2.10755981E+00  2.11833460E+00  2.11833460E+00  2.13862784E+00  2.13862784E+00
  2.15082191E+00  2.15082191E+00  2.15489042E+00  2.19726991E+00  2.19726991E+00
  2.23152627E+00  2.23152627E+00  2.24477458E+00  2.24517044E+00  2.24517044E+00
  2.28314372E+00  2.28314372E+00  2.30666432E+00  2.30666432E+00  2.31466558E+00
  5.76711536E+00  5.76711536E+00  5.81420947E+00  5.87388386E+00  5.87388386E+00
  5.92115787E+00  5.92115787E+00  5.95483224E+00  5.95483224E+00  5.97500139E+00
  5.97500139E+00  5.98171859E+00  6.32804635E+00  6.32804635E+00  6.38281482E+00
  6.38281482E+00  6.40137032E+00  6.41813127E+00  6.41813127E+00  6.47304784E+00
  6.47304784E+00  6.50666321E+00  6.50666321E+00  6.51803143E+00  2.04222936E+01
Alpha MO coefficients                      R   N=        6400
  6.27010291E-01 -4.08154694E-01  1.57484428E-02 -3.47791011E-03  1.60600087E-03
 -4.03524458E-04  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  1.06424620E-04  0.00000000E+00  0.00000000E+00 -1.84332849E-04
  0.00000000E+00 -5.07994817E-04  0.00000000E+00  0.00000000E+00  8.79872834E-04
  0.00000000E+00  4.97704082E-05  0.00000000E+00  0.00000000E+00 -8.62048757E-05
  0.00000000E+00 -4.34211385E-05  0.00000000E+00  0.00000000E+00  7.52076181E-05
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -5.06674997E-06  0.00000000E+00  0.00000000E+00
  7.55306491E-06  0.00000000E+00  0.00000000E+00  0.00000000E+00 -9.99176569E-06
  0.00000000E+00 -1.25790016E-06  0.00000000E+00  0.00000000E+00  1.87516685E-06
  0.00000000E+00  0.00000000E+00  0.00000000E+00 -2.48061257E-06  0.00000000E+00
 -1.34298769E-01  2.24016838E-01  2.80957738E-01  5.91928781E-01  2.71475242E-01
  2.92913924E-03  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00 -1.10988472E-03  0.00000000E+00  0.00000000E+00  1.92237673E-03
  0.00000000E+00  3.33854687E-04  0.00000000E+00  0.00000000E+00 -5.78253280E-04
  0.00000000E+00 -4.29086812E-03  0.00000000E+00  0.00000000E+00  7.43200159E-03
  0.00000000E+00 -2.18298568E-03  0.00000000E+00  0.00000000E+00  3.78104210E-03
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -2.49371374E-05  0.00000000E+00  0.00000000E+00
  3.71740896E-05  0.00000000E+00  0.00000000E+00  0.00000000E+00 -4.91766981E-05
  0.00000000E+00 -1.51076991E-04  0.00000000E+00  0.00000000E+00  2.25212281E-04
  0.00000000E+00  0.00000000E+00  0.00000000E+00 -2.97927844E-04  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  1.66555684E-01  0.00000000E+00  0.00000000E+00  3.25426242E-01
  0.00000000E+00  0.00000000E+00  4.41848755E-01  0.00000000E+00  0.00000000E+00
  2.88966315E-01  0.00000000E+00  0.00000000E+00  2.37799814E-02  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  2.53103405E-03  0.00000000E+00  0.00000000E+00
  0.00000000E+00 -3.26755090E-03  0.00000000E+00  0.00000000E+00  5.71323157E-03
  0.00000000E+00  0.00000000E+00  0.00000000E+00 -7.37575024E-03  0.00000000E+00
  0.00000000E+00  4.75309813E-03  0.00000000E+00  0.00000000E+00  0.00000000E+00
 -6.13622330E-03  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  9.66383844E-02  0.00000000E+00
  0.00000000E+00  1.83336420E-01  0.00000000E+00  0.00000000E+00  3.00122862E-01
  0.00000000E+00  0.00000000E+00  2.37741924E-01  0.00000000E+00  0.00000000E+00
  5.28019083E-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  0.00000000E+00
  0.00000000E+00  1.28956179E-03  0.00000000E+00  0.00000000E+00 -1.66481711E-03
  0.00000000E+00  0.00000000E+00  0.00000000E+00  2.39795290E-03  0.00000000E+00
  0.00000000E+00 -3.09574388E-03  0.00000000E+00  0.00000000E+00  0.00000000E+00
  7.22802450E-03  0.00000000E+00  0.00000000E+00 -9.33133950E-03  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  9.66383844E-02  0.00000000E+00  0.00000000E+00
  1.83336420E-01  0.00000000E+00  0.00000000E+00  3.00122862E-01  0.00000000E+00
  0.00000000E+00  2.37741924E-01  0.00000000E+00  0.00000000E+00  5.28019083E-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  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  5.26461397E-04  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -2.03897622E-03  0.00000000E+00  0.00000000E+00
  9.78960171E-04  0.00000000E+00  0.00000000E+00  0.00000000E+00 -3.79149644E-03
  0.00000000E+00  0.00000000E+00  2.95082864E-03  0.00000000E+00  0.00000000E+00
  0.00000000E+00 -1.14285102E-02  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  2.90042588E-02 -6.54208588E-02 -1.74345359E-01  2.24985865E-01 -1.35882301E+00
  1.81403365E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00 -2.43854833E-04  0.00000000E+00  0.00000000E+00  4.22368960E-04
  0.00000000E+00 -3.10717190E-06  0.00000000E+00  0.00000000E+00  5.38177960E-06
  0.00000000E+00 -5.31638451E-03  0.00000000E+00  0.00000000E+00  9.20824809E-03
  0.00000000E+00  3.11275309E-02  0.00000000E+00  0.00000000E+00 -5.39144650E-02
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -3.27835827E-05  0.00000000E+00  0.00000000E+00
  4.88708797E-05  0.00000000E+00  0.00000000E+00  0.00000000E+00 -6.46500970E-05
  0.00000000E+00  1.14306565E-04  0.00000000E+00  0.00000000E+00 -1.70398166E-04
  0.00000000E+00  0.00000000E+00  0.00000000E+00  2.25415586E-04  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00 -3.31096288E-02  0.00000000E+00  0.00000000E+00 -1.05006399E-01
  0.00000000E+00  0.00000000E+00  2.04113697E-02  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  5.47346832E-03  0.00000000E+00  0.00000000E+00  0.00000000E+00 -7.24071799E-03
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 -7.52933725E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00 -1.94406652E-01
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  0.00000000E+00  1.20310564E-13  0.00000000E+00  0.00000000E+00 -8.61209778E-14
  0.00000000E+00  0.00000000E+00  4.26139184E-14  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00  2.24736524E-14  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00 -4.21784380E-02  0.00000000E+00  0.00000000E+00
  6.63329272E-02  0.00000000E+00  0.00000000E+00 -4.67844520E-02  0.00000000E+00
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  1.93962112E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00 -7.51212030E-01
  0.00000000E+00  0.00000000E+00 -7.17600389E-02  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00  2.06564801E-02  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  9.74613385E-01  0.00000000E+00  0.00000000E+00  4.74815053E-01
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  0.00000000E+00 -1.75587647E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00
  2.26682678E-01  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
  2.08918485E+00  2.89299412E+00  2.27342011E+00 -1.93202042E+00  1.00282296E+00
 -2.99079135E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00 -1.80815353E-04  0.00000000E+00  0.00000000E+00  3.13181378E-04
  0.00000000E+00 -4.14575958E-04  0.00000000E+00  0.00000000E+00  7.18066622E-04
  0.00000000E+00  4.82204596E-04  0.00000000E+00  0.00000000E+00 -8.35202859E-04
  0.00000000E+00 -1.98411243E-04  0.00000000E+00  0.00000000E+00  3.43658354E-04
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  0.00000000E+00  0.00000000E+00  0.00000000E+00  4.65417600E-06  0.00000000E+00
Orthonormal basis                          R   N=        6400
  1.40059573E-01 -1.93985491E-01  2.57178311E-01  2.72000489E-01  2.51461346E-01
  1.96340733E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00 -1.57748463E-17  0.00000000E+00  0.00000000E+00  2.29684739E-18
  0.00000000E+00  1.49803672E-17  0.00000000E+00  0.00000000E+00  4.98244464E-18
  0.00000000E+00  2.23425458E-18  0.00000000E+00  0.00000000E+00  4.71290117E-18
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  0.00000000E+00  8.34476992E-17  0.00000000E+00  0.00000000E+00  7.82612264E-18
  0.00000000E+00  0.00000000E+00  0.00000000E+00 -4.70848097E-17  0.00000000E+00
  6.42910562E-17  7.20645338E-17 -1.41174718E-17  1.55359687E-17  7.01994315E-17
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  0.00000000E+00 -1.17058995E-16  0.00000000E+00  0.00000000E+00  5.07743387E-16
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.56859053E-16  0.00000000E+00
  4.84624833E-17  2.37065923E-17  5.28275904E-17  5.61177447E-17  4.12866285E-17
 -1.01468941E-16  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  3.32257537E-01  0.00000000E+00  0.00000000E+00 -2.11300383E-01
  0.00000000E+00  3.28183607E-01  0.00000000E+00  0.00000000E+00 -2.08709552E-01
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 -7.54728471E-17  0.00000000E+00  0.00000000E+00  0.00000000E+00  5.83974540E-17
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  4.54199661E-01 -4.22894703E-01  8.64453043E-02 -1.29872182E-01 -2.82964877E-01
 -3.12733266E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00 -7.43531513E-18  0.00000000E+00  0.00000000E+00  1.23704111E-17
  0.00000000E+00 -2.87289845E-17  0.00000000E+00  0.00000000E+00  3.73402683E-18
  0.00000000E+00 -3.80448325E-17  0.00000000E+00  0.00000000E+00  2.86222357E-17
  0.00000000E+00 -4.07931178E-17  0.00000000E+00  0.00000000E+00  2.12887261E-17
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  0.00000000E+00  0.00000000E+00 -1.15646411E-15  0.00000000E+00  0.00000000E+00
 -2.89115638E-17  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.06429210E-15
  0.00000000E+00 -1.43511945E-15  0.00000000E+00  0.00000000E+00 -6.44549036E-17
  0.00000000E+00  0.00000000E+00  0.00000000E+00  8.74353219E-16  0.00000000E+00
 -1.12106056E-25  4.74305677E-18 -2.11369875E-17  8.99166448E-17 -4.42510728E-17
  2.63749192E-17  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  2.92085214E-16  0.00000000E+00
  0.00000000E+00 -2.20501706E-16  0.00000000E+00  0.00000000E+00  0.00000000E+00
 -3.22003119E-17  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  1.64083943E-16  0.00000000E+00  0.00000000E+00  2.07525875E-16
  0.00000000E+00  0.00000000E+00  2.66645741E-16  0.00000000E+00  0.00000000E+00
  1.31484846E-16  0.00000000E+00  0.00000000E+00  4.45658813E-17  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  2.83855539E-01  0.00000000E+00  0.00000000E+00
  0.00000000E+00  2.23028201E-01  0.00000000E+00  0.00000000E+00  3.87929448E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  3.04800136E-01  0.00000000E+00
  0.00000000E+00  3.11503818E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00
  2.44751737E-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  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  9.54808508E-20  0.00000000E+00  0.00000000E+00 -2.22137932E-16
  0.00000000E+00  0.00000000E+00  1.96668550E-16  0.00000000E+00  0.00000000E+00
 -5.41041451E-16  0.00000000E+00  0.00000000E+00 -7.09390672E-16  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -2.23028201E-01  0.00000000E+00  0.00000000E+00
  0.00000000E+00  2.83855539E-01  0.00000000E+00  0.00000000E+00 -3.04800136E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  3.87929448E-01  0.00000000E+00
  0.00000000E+00 -2.44751737E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00
  3.11503818E-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  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  4.66239102E-01  0.00000000E+00  0.00000000E+00  3.66415238E-01
  0.00000000E+00  0.00000000E+00  9.64460418E-03  0.00000000E+00  0.00000000E+00
 -3.62134271E-01  0.00000000E+00  0.00000000E+00 -4.66057883E-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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.20069879E-16  0.00000000E+00  0.00000000E+00
  0.00000000E+00 -7.67500480E-16  0.00000000E+00  0.00000000E+00  3.40681992E-16
  0.00000000E+00  0.00000000E+00  0.00000000E+00 -5.50864097E-16  0.00000000E+00
  0.00000000E+00 -6.15736031E-18  0.00000000E+00  0.00000000E+00  0.00000000E+00
  3.64599638E-16  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  3.53593876E-15  0.00000000E+00  0.00000000E+00 -6.80676054E-16
  0.00000000E+00  0.00000000E+00 -2.02097668E-15  0.00000000E+00  0.00000000E+00
 -9.42813577E-17  0.00000000E+00  0.00000000E+00  1.34475745E-15  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -4.22185965E-01  0.00000000E+00  0.00000000E+00
  0.00000000E+00  6.90026865E-01  0.00000000E+00  0.00000000E+00  1.24527878E-02
  0.00000000E+00  0.00000000E+00  0.00000000E+00 -2.03530169E-02  0.00000000E+00
  0.00000000E+00  3.69205817E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00
 -6.03435343E-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  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  1.49479850E-16  0.00000000E+00  0.00000000E+00  2.44483585E-16
  0.00000000E+00  0.00000000E+00  9.54709341E-17  0.00000000E+00  0.00000000E+00
 -2.40580358E-16  0.00000000E+00  0.00000000E+00 -2.67836798E-16  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  6.90026865E-01  0.00000000E+00  0.00000000E+00
  0.00000000E+00  4.22185965E-01  0.00000000E+00  0.00000000E+00 -2.03530169E-02
  0.00000000E+00  0.00000000E+00  0.00000000E+00 -1.24527878E-02  0.00000000E+00
  0.00000000E+00 -6.03435343E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00
 -3.69205817E-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  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  7.55159443E-01  0.00000000E+00  0.00000000E+00 -1.39876674E-01
  0.00000000E+00  0.00000000E+00 -6.56405600E-01  0.00000000E+00  0.00000000E+00
 -1.04745405E-01  0.00000000E+00  0.00000000E+00  7.13287032E-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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.14430621E-15  0.00000000E+00  0.00000000E+00
  0.00000000E+00 -1.87684019E-15  0.00000000E+00  0.00000000E+00  6.87662927E-16
  0.00000000E+00  0.00000000E+00  0.00000000E+00 -7.86009451E-16  0.00000000E+00
  0.00000000E+00 -2.62915314E-15  0.00000000E+00  0.00000000E+00  0.00000000E+00
  3.87240226E-15  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00 -1.93825114E-14  0.00000000E+00  0.00000000E+00  2.21930470E-14
  0.00000000E+00  0.00000000E+00  4.48505363E-15  0.00000000E+00  0.00000000E+00
 -2.59076094E-14  0.00000000E+00  0.00000000E+00  1.95489607E-14  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -7.81679531E-01  0.00000000E+00  0.00000000E+00
  0.00000000E+00  3.75756326E-01  0.00000000E+00  0.00000000E+00  1.32562540E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00 -6.37233175E-01  0.00000000E+00
  0.00000000E+00 -9.38560127E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00
  4.51169426E-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  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  2.51525345E-15  0.00000000E+00  0.00000000E+00 -1.99237383E-15
  0.00000000E+00  0.00000000E+00 -2.00174345E-15  0.00000000E+00  0.00000000E+00
  2.53328923E-15  0.00000000E+00  0.00000000E+00 -1.69886052E-15  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -3.75756326E-01  0.00000000E+00  0.00000000E+00
  0.00000000E+00 -7.81679531E-01  0.00000000E+00  0.00000000E+00  6.37233175E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.32562540E+00  0.00000000E+00
  0.00000000E+00 -4.51169426E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00
 -9.38560127E-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  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00 -8.66488459E-01  0.00000000E+00  0.00000000E+00  1.15905085E+00
  0.00000000E+00  0.00000000E+00 -7.07403027E-02  0.00000000E+00  0.00000000E+00
 -1.12201412E+00  0.00000000E+00  0.00000000E+00  9.14780357E-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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.55138052E-14  0.00000000E+00  0.00000000E+00
  0.00000000E+00 -8.54923637E-15  0.00000000E+00  0.00000000E+00 -2.82834113E-14
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.73054784E-14  0.00000000E+00
  0.00000000E+00  2.06526897E-14  0.00000000E+00  0.00000000E+00  0.00000000E+00
 -1.30951899E-14  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  7.64601859E-01  0.00000000E+00  0.00000000E+00 -1.93550670E+00
  0.00000000E+00  0.00000000E+00  2.57139642E+00  0.00000000E+00  0.00000000E+00
 -2.03588569E+00  0.00000000E+00  0.00000000E+00  8.78329137E-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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  4.54633994E-15  0.00000000E+00  0.00000000E+00
  0.00000000E+00 -4.40180468E-15  0.00000000E+00  0.00000000E+00 -6.20659848E-15
  0.00000000E+00  0.00000000E+00  0.00000000E+00  4.63279393E-15  0.00000000E+00
  0.00000000E+00  5.43262363E-15  0.00000000E+00  0.00000000E+00  0.00000000E+00
 -4.84758693E-15  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
Total SCF Density                          R   N=        3240
  8.22356129E-01 -5.72004758E-01  4.33547596E-01 -5.57156852E-02  1.13022927E-01
  1.58370528E-01 -1.63351984E-01  2.68043079E-01  3.32504400E-01  7.00783556E-01
 -7.09036233E-02  1.20319057E-01  1.52596724E-01  3.21376847E-01  1.47402772E-01
 -1.29278756E-03  1.64175383E-03  1.63321891E-03  3.47049049E-03  1.58908145E-03
  1.74853774E-05  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  5.54815918E-02  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  8.49316923E-19
  1.04011325E-34  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -8.49316923E-19  0.00000000E+00  1.04011325E-34
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  1.08403181E-01  1.65944510E-18 -1.65944510E-18  2.11804478E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  1.65944510E-18  2.03223413E-34  0.00000000E+00  3.24232094E-18
  3.97069796E-34  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00 -1.65944510E-18  0.00000000E+00  2.03223413E-34
 -3.24232094E-18  0.00000000E+00  3.97069796E-34  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.47184843E-01
  2.25311809E-18 -2.25311809E-18  2.87578359E-01  4.40227396E-18 -4.40227396E-18
  3.90460644E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  2.25311809E-18  2.75927386E-34  0.00000000E+00
  4.40227396E-18  5.39123072E-34  0.00000000E+00  5.97720472E-18  7.31996463E-34
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00 -2.25311809E-18  0.00000000E+00  2.75927386E-34 -4.40227396E-18
  0.00000000E+00  5.39123072E-34 -5.97720472E-18  0.00000000E+00  7.31996463E-34
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  9.62579645E-02  1.47352510E-18 -1.47352510E-18  1.88074444E-01
  2.87905957E-18 -2.87905957E-18  2.55358813E-01  3.90905441E-18 -3.90905441E-18
  1.67003062E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.47352510E-18  1.80454780E-34  0.00000000E+00
  2.87905957E-18  3.52583108E-34  0.00000000E+00  3.90905441E-18  4.78721097E-34
  0.00000000E+00  2.55649707E-18  3.13080595E-34  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00 -1.47352510E-18
  0.00000000E+00  1.80454780E-34 -2.87905957E-18  0.00000000E+00  3.52583108E-34
 -3.90905441E-18  0.00000000E+00  4.78721097E-34 -2.55649707E-18  0.00000000E+00
  3.13080595E-34  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  7.92138214E-03  1.21261191E-19 -1.21261191E-19
  1.54772599E-02  2.36927211E-19 -2.36927211E-19  2.10143103E-02  3.21688849E-19
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  0.00000000E+00  0.00000000E+00  6.60803131E-07  3.50415719E-23 -9.69971045E-36
 -1.14454460E-06 -3.50415719E-23 -1.96408938E-07 -1.04153228E-23  5.40716233E-36
  3.40190259E-07  1.04153228E-23  2.55649126E-06  1.35567566E-22 -3.03654582E-36
 -4.42797274E-06 -1.35567566E-22  1.30095986E-06  6.89882905E-23  1.44428076E-36
 -2.25332857E-06 -6.89882905E-23  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.48840725E-08  1.44102872E-24
 -1.31994573E-35 -2.21878652E-08 -6.79307452E-25 -1.27086787E-24 -1.80536831E-36
  2.93517867E-08  1.79727858E-24  9.00263254E-08  8.71606347E-24  1.07973847E-35
 -1.34203322E-07 -4.10879173E-24 -7.68684546E-24  1.29678336E-36  1.77534308E-07
  4.70949844E-21 -8.04940502E-21 -1.02557065E-20 -2.15958428E-20 -9.90543530E-21
 -1.06748929E-22  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  4.04625219E-23  0.00000000E+00  0.00000000E+00 -7.00831438E-23
 -1.71654195E-38 -1.20265788E-23  0.00000000E+00  0.00000000E+00  2.08306456E-23
  5.10203669E-39  1.56539942E-22  0.00000000E+00  0.00000000E+00 -2.71135132E-22
 -6.64089544E-38  7.96608162E-23  0.00000000E+00  0.00000000E+00 -1.37976581E-22
 -3.37945156E-38  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  9.11386585E-25  0.00000000E+00  0.00000000E+00
 -1.35861490E-24 -3.32764679E-40  0.00000000E+00  0.00000000E+00  1.79727858E-24
  8.80412585E-40  5.51252256E-24  0.00000000E+00  0.00000000E+00 -8.21758345E-24
 -2.01272745E-39  0.00000000E+00  0.00000000E+00  1.08708411E-23  5.32517630E-39
Mulliken Charges                           R   N=           1
 -7.99360578E-15
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=           1
           1
Atom Modifiers                             I   N=           1
           0
Force Field                                I                0
Atom Modified Types                        C   N=           1
            
Int Atom Modified Types                    I   N=           1
           0
Link Atoms                                 I   N=           1
           0
Atom Modified MM Charges                   R   N=           1
  0.00000000E+00
Link Distances                             R   N=           4
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
Cartesian Gradient                         R   N=           3
  0.00000000E+00  0.00000000E+00  0.00000000E+00
Nonadiabatic coupling                      R   N=           3
  0.00000000E+00  0.00000000E+00  0.00000000E+00
QEq coupling tensors                       R   N=           6
  2.53100620E+00  0.00000000E+00 -1.26550310E+00  0.00000000E+00  0.00000000E+00
 -1.26550310E+00
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
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           0           0           0           0           0           0
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           0           0           0           0           0           0
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           0           0           0           0           0           0
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           0           0           0           0           0           0
           0           0           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
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           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
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           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
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           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
  1.15000000E-01  1.17000000E-01  1.19000000E-01  1.20000000E-01  1.22000000E-01
  1.24000000E-01  1.26000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01  1.28000000E-01
  5.47000000E-01  5.92000000E-01  5.99000000E-01  6.68000000E-01  6.98000000E-01
  7.18000000E-01  7.26000000E-01  7.36000000E-01  7.43000000E-01  7.45000000E-01
  6.07000000E-01  6.66000000E-01  6.93000000E-01  7.09000000E-01  7.20000000E-01
  7.29000000E-01  7.35000000E-01  7.40000000E-01  6.08000000E-01  7.34000000E-01
  7.46000000E-01  7.55000000E-01  7.61000000E-01  7.65000000E-01  7.67000000E-01
  7.60000000E-01  7.49000000E-01  7.33000000E-01  7.08000000E-01  6.48000000E-01
  6.88000000E-01  7.09000000E-01  7.22000000E-01  7.31000000E-01  7.38000000E-01
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Gaussian Version                           C   N=           2
ES64L-G16RevA.03