File: dvb_un_sp.fchk

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cclib-data 1.6.2-2
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4310
4311
4312
4313
4314
4315
4316
4317
4318
4319
4320
4321
4322
4323
4324
4325
4326
4327
4328
4329
4330
4331
4332
4333
4334
4335
4336
4337
4338
4339
4340
4341
4342
4343
4344
4345
4346
4347
4348
4349
4350
4351
4352
4353
4354
4355
4356
4357
4358
4359
4360
4361
4362
4363
4364
4365
4366
4367
4368
4369
4370
4371
4372
4373
4374
4375
4376
4377
4378
4379
4380
4381
4382
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4384
4385
4386
4387
4388
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4394
4395
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4398
4399
4400
4401
4402
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4405
4406
4407
4408
4409
4410
4411
4412
4413
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4416
4417
4418
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4420
4421
4422
4423
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4425
4426
4427
4428
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4451
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4460
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Notitle                                                                 
SP        UB3LYP                                                      STO-3G              
Number of atoms                            I               20
Info1-9                                    I   N=           9
          83          83           0           0           0         111
           1          18        -502
Full Title                                 C   N=           1
Notitle     
Route                                      C   N=           5
#p ub3lyp/sto-3g pop=full iop(3/33=1,3/36=-1) nosym         
Charge                                     I                1
Multiplicity                               I                2
Number of electrons                        I               69
Number of alpha electrons                  I               35
Number of beta electrons                   I               34
Number of basis functions                  I               60
Number of independent functions            I               60
Number of point charges in /Mol/           I                0
Number of translation vectors              I                0
Atomic numbers                             I   N=          20
           6           6           6           6           6           1
           1           1           6           6           1           1
           1           6           1           6           1           1
           6           1
Nuclear charges                            R   N=          20
  6.00000000E+00  6.00000000E+00  6.00000000E+00  6.00000000E+00  6.00000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  6.00000000E+00  6.00000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  6.00000000E+00  1.00000000E+00
  6.00000000E+00  1.00000000E+00  1.00000000E+00  6.00000000E+00  1.00000000E+00
Current cartesian coordinates              R   N=          60
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  2.68559107E+00  2.27465435E+00  0.00000000E+00  4.04462871E+00  4.65267620E+00
  0.00000000E+00  2.79141193E+00  4.65267620E+00  0.00000000E+00  1.05820862E-01
 -1.80055650E+00  0.00000000E+00  3.71530085E+00  2.23015237E+00  0.00000000E+00
  6.12032251E+00  6.45323270E+00  0.00000000E+00 -9.23888921E-01  7.02511537E+00
  0.00000000E+00  4.33439866E+00  9.40659432E+00  0.00000000E+00  3.45027560E+00
  9.84708593E+00  0.00000000E+00  1.42653903E+00  6.71396974E+00  0.00000000E+00
  6.39045593E+00  1.10299749E+01  0.00000000E+00  4.73714882E+00 -2.37243917E+00
  0.00000000E+00 -1.54298673E+00 -2.06129353E+00  0.00000000E+00 -3.59904400E+00
 -4.75391812E+00  0.00000000E+00 -6.58863672E-01 -5.19440973E+00  0.00000000E+00
  1.36487290E+00 -6.37729866E+00  0.00000000E+00 -1.94573689E+00  2.37802186E+00
  0.00000000E+00 -1.25321678E+00  2.42252383E+00  0.00000000E+00 -3.32891058E+00
Number of symbols in /Mol/                 I                0
Force Field                                I                0
Atom Types                                 C   N=          20
                                                            
                                                            
                                                            
                                                            
Int Atom Types                             I   N=          20
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0
MM charges                                 R   N=          20
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
Integer atomic weights                     I   N=          20
          12          12          12          12          12           1
           1           1          12          12           1           1
           1          12           1          12           1           1
          12           1
Real atomic weights                        R   N=          20
  1.20000000E+01  1.20000000E+01  1.20000000E+01  1.20000000E+01  1.20000000E+01
  1.00782504E+00  1.00782504E+00  1.00782504E+00  1.20000000E+01  1.20000000E+01
  1.00782504E+00  1.00782504E+00  1.00782504E+00  1.20000000E+01  1.00782504E+00
  1.20000000E+01  1.00782504E+00  1.00782504E+00  1.20000000E+01  1.00782504E+00
Atom fragment info                         I   N=          20
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0
Atom residue num                           I   N=          20
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0
Nuclear spins                              I   N=          20
           0           0           0           0           0           1
           1           1           0           0           1           1
           1           0           1           0           1           1
           0           1
Nuclear ZEff                               R   N=          20
 -3.60000000E+00 -3.60000000E+00 -3.60000000E+00 -3.60000000E+00 -3.60000000E+00
 -1.00000000E+00 -1.00000000E+00 -1.00000000E+00 -3.60000000E+00 -3.60000000E+00
 -1.00000000E+00 -1.00000000E+00 -1.00000000E+00 -3.60000000E+00 -1.00000000E+00
 -3.60000000E+00 -1.00000000E+00 -1.00000000E+00 -3.60000000E+00 -1.00000000E+00
Nuclear ZNuc                               R   N=          20
  6.00000000E+00  6.00000000E+00  6.00000000E+00  6.00000000E+00  6.00000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  6.00000000E+00  6.00000000E+00
  1.00000000E+00  1.00000000E+00  1.00000000E+00  6.00000000E+00  1.00000000E+00
  6.00000000E+00  1.00000000E+00  1.00000000E+00  6.00000000E+00  1.00000000E+00
Nuclear QMom                               R   N=          20
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
Nuclear GFac                               R   N=          20
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  2.79284600E+00  2.79284600E+00  2.79284600E+00  0.00000000E+00  0.00000000E+00
  2.79284600E+00  2.79284600E+00  2.79284600E+00  0.00000000E+00  2.79284600E+00
  0.00000000E+00  2.79284600E+00  2.79284600E+00  0.00000000E+00  2.79284600E+00
MicOpt                                     I   N=          20
          -1          -1          -1          -1          -1          -1
          -1          -1          -1          -1          -1          -1
          -1          -1          -1          -1          -1          -1
          -1          -1
Number of residues                         I                0
Number of secondary structures             I                0
Number of contracted shells                I               30
Number of primitive shells                 I               90
Pure/Cartesian d shells                    I                0
Pure/Cartesian f shells                    I                0
Highest angular momentum                   I                1
Largest degree of contraction              I                3
Shell types                                I   N=          30
           0          -1           0          -1           0          -1
           0          -1           0          -1           0           0
           0           0          -1           0          -1           0
           0           0           0          -1           0           0
          -1           0           0           0          -1           0
Number of primitives per shell             I   N=          30
           3           3           3           3           3           3
           3           3           3           3           3           3
           3           3           3           3           3           3
           3           3           3           3           3           3
           3           3           3           3           3           3
Shell to atom map                          I   N=          30
           1           1           2           2           3           3
           4           4           5           5           6           7
           8           9           9          10          10          11
          12          13          14          14          15          16
          16          17          18          19          19          20
Primitive exponents                        R   N=          90
  7.16168373E+01  1.30450963E+01  3.53051216E+00  2.94124936E+00  6.83483096E-01
  2.22289916E-01  7.16168373E+01  1.30450963E+01  3.53051216E+00  2.94124936E+00
  6.83483096E-01  2.22289916E-01  7.16168373E+01  1.30450963E+01  3.53051216E+00
  2.94124936E+00  6.83483096E-01  2.22289916E-01  7.16168373E+01  1.30450963E+01
  3.53051216E+00  2.94124936E+00  6.83483096E-01  2.22289916E-01  7.16168373E+01
  1.30450963E+01  3.53051216E+00  2.94124936E+00  6.83483096E-01  2.22289916E-01
  3.42525091E+00  6.23913730E-01  1.68855404E-01  3.42525091E+00  6.23913730E-01
  1.68855404E-01  3.42525091E+00  6.23913730E-01  1.68855404E-01  7.16168373E+01
  1.30450963E+01  3.53051216E+00  2.94124936E+00  6.83483096E-01  2.22289916E-01
  7.16168373E+01  1.30450963E+01  3.53051216E+00  2.94124936E+00  6.83483096E-01
  2.22289916E-01  3.42525091E+00  6.23913730E-01  1.68855404E-01  3.42525091E+00
  6.23913730E-01  1.68855404E-01  3.42525091E+00  6.23913730E-01  1.68855404E-01
  7.16168373E+01  1.30450963E+01  3.53051216E+00  2.94124936E+00  6.83483096E-01
  2.22289916E-01  3.42525091E+00  6.23913730E-01  1.68855404E-01  7.16168373E+01
  1.30450963E+01  3.53051216E+00  2.94124936E+00  6.83483096E-01  2.22289916E-01
  3.42525091E+00  6.23913730E-01  1.68855404E-01  3.42525091E+00  6.23913730E-01
  1.68855404E-01  7.16168373E+01  1.30450963E+01  3.53051216E+00  2.94124936E+00
  6.83483096E-01  2.22289916E-01  3.42525091E+00  6.23913730E-01  1.68855404E-01
Contraction coefficients                   R   N=          90
  1.54328967E-01  5.35328142E-01  4.44634542E-01 -9.99672292E-02  3.99512826E-01
  7.00115469E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01 -9.99672292E-02
  3.99512826E-01  7.00115469E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01
 -9.99672292E-02  3.99512826E-01  7.00115469E-01  1.54328967E-01  5.35328142E-01
  4.44634542E-01 -9.99672292E-02  3.99512826E-01  7.00115469E-01  1.54328967E-01
  5.35328142E-01  4.44634542E-01 -9.99672292E-02  3.99512826E-01  7.00115469E-01
  1.54328967E-01  5.35328142E-01  4.44634542E-01  1.54328967E-01  5.35328142E-01
  4.44634542E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01  1.54328967E-01
  5.35328142E-01  4.44634542E-01 -9.99672292E-02  3.99512826E-01  7.00115469E-01
  1.54328967E-01  5.35328142E-01  4.44634542E-01 -9.99672292E-02  3.99512826E-01
  7.00115469E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01  1.54328967E-01
  5.35328142E-01  4.44634542E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01
  1.54328967E-01  5.35328142E-01  4.44634542E-01 -9.99672292E-02  3.99512826E-01
  7.00115469E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01  1.54328967E-01
  5.35328142E-01  4.44634542E-01 -9.99672292E-02  3.99512826E-01  7.00115469E-01
  1.54328967E-01  5.35328142E-01  4.44634542E-01  1.54328967E-01  5.35328142E-01
  4.44634542E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01 -9.99672292E-02
  3.99512826E-01  7.00115469E-01  1.54328967E-01  5.35328142E-01  4.44634542E-01
P(S=P) Contraction coefficients            R   N=          90
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.55916275E-01  6.07683719E-01
  3.91957393E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.55916275E-01
  6.07683719E-01  3.91957393E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00
  1.55916275E-01  6.07683719E-01  3.91957393E-01  0.00000000E+00  0.00000000E+00
  0.00000000E+00  1.55916275E-01  6.07683719E-01  3.91957393E-01  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.55916275E-01  6.07683719E-01  3.91957393E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.55916275E-01  6.07683719E-01  3.91957393E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.55916275E-01  6.07683719E-01
  3.91957393E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.55916275E-01  6.07683719E-01
  3.91957393E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.55916275E-01  6.07683719E-01  3.91957393E-01
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.55916275E-01
  6.07683719E-01  3.91957393E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00
Coordinates of each shell                  R   N=          90
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  2.68559107E+00  0.00000000E+00
  0.00000000E+00  2.68559107E+00  2.27465435E+00  0.00000000E+00  4.04462871E+00
  2.27465435E+00  0.00000000E+00  4.04462871E+00  4.65267620E+00  0.00000000E+00
  2.79141193E+00  4.65267620E+00  0.00000000E+00  2.79141193E+00  4.65267620E+00
  0.00000000E+00  1.05820862E-01  4.65267620E+00  0.00000000E+00  1.05820862E-01
 -1.80055650E+00  0.00000000E+00  3.71530085E+00  2.23015237E+00  0.00000000E+00
  6.12032251E+00  6.45323270E+00  0.00000000E+00 -9.23888921E-01  7.02511537E+00
  0.00000000E+00  4.33439866E+00  7.02511537E+00  0.00000000E+00  4.33439866E+00
  9.40659432E+00  0.00000000E+00  3.45027560E+00  9.40659432E+00  0.00000000E+00
  3.45027560E+00  9.84708593E+00  0.00000000E+00  1.42653903E+00  6.71396974E+00
  0.00000000E+00  6.39045593E+00  1.10299749E+01  0.00000000E+00  4.73714882E+00
 -2.37243917E+00  0.00000000E+00 -1.54298673E+00 -2.37243917E+00  0.00000000E+00
 -1.54298673E+00 -2.06129353E+00  0.00000000E+00 -3.59904400E+00 -4.75391812E+00
  0.00000000E+00 -6.58863672E-01 -4.75391812E+00  0.00000000E+00 -6.58863672E-01
 -5.19440973E+00  0.00000000E+00  1.36487290E+00 -6.37729866E+00  0.00000000E+00
 -1.94573689E+00  2.37802186E+00  0.00000000E+00 -1.25321678E+00  2.37802186E+00
  0.00000000E+00 -1.25321678E+00  2.42252383E+00  0.00000000E+00 -3.32891058E+00
Num ILSW                                   I              100
ILSW                                       I   N=         100
           1           0           0           0           2           0
           0           0           0           0         402          -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           5           0           0           0
           0           0           0          20           0           1
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0
Num RLSW                                   I               52
RLSW                                       R   N=          52
  8.00000000E-01  7.20000000E-01  1.00000000E+00  8.10000000E-01  2.00000000E-01
  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00  1.00000000E+00
  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00
MxBond                                     I                3
NBond                                      I   N=          20
           3           3           3           3           3           1
           1           1           3           3           1           1
           1           3           1           3           1           1
           3           1
IBond                                      I   N=          60
           2          14          19           1           3           6
           2           4           7           3           5           9
           4           8          19           2           0           0
           3           0           0           5           0           0
           4          10          12           9          11          13
          10           0           0           9           0           0
          10           0           0           1          15          16
          14           0           0          14          17          18
          16           0           0          16           0           0
           1           5          20          19           0           0
RBond                                      R   N=          60
  1.50000000E+00  1.00000000E+00  1.50000000E+00  1.50000000E+00  1.50000000E+00
  1.00000000E+00  1.50000000E+00  1.50000000E+00  1.00000000E+00  1.50000000E+00
  1.50000000E+00  1.00000000E+00  1.50000000E+00  1.00000000E+00  1.50000000E+00
  1.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00
  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00
  2.00000000E+00  1.00000000E+00  2.00000000E+00  1.00000000E+00  1.00000000E+00
  1.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00  0.00000000E+00
  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00  1.00000000E+00
  1.00000000E+00  2.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  2.00000000E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00  0.00000000E+00
  0.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00  1.50000000E+00
  1.50000000E+00  1.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
Virial Ratio                               R      2.019175272275014E+00
SCF Energy                                 R     -3.820813927196577E+02
Total Energy                               R     -3.820813927196577E+02
S**2                                       R      7.778025339551178E-01
S**2 after annihilation                    R      7.503851280759220E-01
RMS Density                                R      7.234892856002765E-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                1
IROHF                                      I                0
Alpha Orbital Energies                     R   N=          60
 -1.02535663E+01 -1.02535169E+01 -1.02192931E+01 -1.02192550E+01 -1.02179239E+01
 -1.02178284E+01 -1.02177337E+01 -1.02177233E+01 -1.02153846E+01 -1.02153844E+01
 -1.02076616E+00 -9.61926111E-01 -9.21664002E-01 -8.99044525E-01 -8.76871335E-01
 -7.87250924E-01 -7.59615639E-01 -7.22746779E-01 -7.03794714E-01 -6.50313147E-01
 -6.35119456E-01 -6.03743974E-01 -5.96031149E-01 -5.87920045E-01 -5.68380688E-01
 -5.52429645E-01 -5.37362829E-01 -5.33634299E-01 -5.01195674E-01 -4.92965996E-01
 -4.82686251E-01 -4.73666704E-01 -4.17974896E-01 -3.94198437E-01 -3.69758518E-01
 -1.77496069E-01 -1.11271251E-01 -9.44443100E-02 -2.95950366E-02  6.02062581E-02
  1.39510783E-01  1.49074098E-01  1.79250112E-01  1.96608937E-01  2.15434916E-01
  2.21026983E-01  2.39898777E-01  2.41558714E-01  2.62126621E-01  2.85275309E-01
  3.20504331E-01  3.43758654E-01  3.79611837E-01  3.98967728E-01  4.25567462E-01
  4.38146976E-01  4.77675770E-01  5.05987005E-01  5.68199652E-01  5.82029681E-01
Beta Orbital Energies                      R   N=          60
 -1.02505901E+01 -1.02505451E+01 -1.02189878E+01 -1.02189535E+01 -1.02185797E+01
 -1.02185793E+01 -1.02176974E+01 -1.02175914E+01 -1.02109180E+01 -1.02109179E+01
 -1.01471351E+00 -9.54491081E-01 -9.13794574E-01 -8.97400343E-01 -8.64671932E-01
 -7.81937527E-01 -7.55562728E-01 -7.18835195E-01 -7.00667662E-01 -6.48113595E-01
 -6.33051446E-01 -6.01003335E-01 -5.93243962E-01 -5.85022215E-01 -5.67658173E-01
 -5.49489706E-01 -5.35407301E-01 -5.17363230E-01 -4.99577665E-01 -4.91468077E-01
 -4.81111379E-01 -4.50851664E-01 -3.91017780E-01 -3.88816578E-01 -3.00528937E-01
 -1.47048290E-01 -1.03160945E-01 -7.37198271E-02 -8.23461803E-03  7.63876339E-02
  1.41940958E-01  1.50964089E-01  1.81105753E-01  1.98118502E-01  2.21057449E-01
  2.26381589E-01  2.42933369E-01  2.46582474E-01  2.69280468E-01  2.90462216E-01
  3.24234214E-01  3.47230121E-01  3.81087796E-01  4.01111552E-01  4.29896054E-01
  4.40712105E-01  4.81463044E-01  5.11388679E-01  5.71921502E-01  5.85193464E-01
Alpha MO coefficients                      R   N=        3600
  7.00266493E-01  3.12770892E-02  9.39668345E-04 -1.60688619E-16  4.33590738E-04
 -7.29248927E-03 -7.10546981E-03 -2.23703647E-04  5.16656776E-17  4.42783463E-03
  7.01591107E-03  7.12387398E-03  3.82343990E-03 -7.88588791E-17 -2.27879893E-03
 -7.00266499E-01 -3.12770895E-02  9.39668352E-04  1.62750050E-16  4.33590741E-04
  7.29248934E-03  7.10546987E-03 -2.23703646E-04  8.81182005E-18  4.42783467E-03
  2.16989890E-04 -2.23312734E-04 -2.16989891E-04  8.88586302E-03  5.88161273E-03
 -3.37792796E-03 -2.76120417E-17 -2.28731189E-03 -3.56785968E-05 -2.73249304E-04
  1.45058495E-04  3.85799161E-18  1.46846954E-04  1.39993775E-04 -1.53305406E-04
  2.41162057E-05 -8.88586293E-03 -5.88161267E-03 -3.37792793E-03  1.58594815E-17
 -2.28731187E-03  1.53305405E-04  3.56785963E-05  2.73249302E-04  1.45058494E-04
 -3.98558617E-17  1.46846953E-04 -1.39993774E-04 -2.41162055E-05 -7.01591100E-03
 -7.12387391E-03  3.82343986E-03 -7.93743140E-17 -2.27879891E-03  2.23312733E-04
  7.00289947E-01  3.10842452E-02  7.10250553E-04 -2.40355655E-16  2.86192920E-04
 -7.63616489E-03 -6.49380337E-03  8.23584055E-05 -3.30255626E-16  4.41427439E-03
 -7.44291467E-03 -6.53328487E-03 -3.96425874E-03  8.27306158E-16  2.03455565E-03
  7.00289941E-01  3.10842449E-02 -7.10250544E-04 -3.05954788E-16 -2.86192916E-04
 -7.63616482E-03 -6.49380330E-03 -8.23584076E-05 -6.75742998E-16 -4.41427435E-03
  1.08962215E-04  1.11037396E-04  1.08962213E-04 -8.99337234E-03 -5.94239962E-03
  3.41376803E-03  4.69623492E-16  2.31021023E-03  4.27596643E-05  2.73358257E-04
 -1.49340974E-04 -2.39074257E-16 -1.49172441E-04 -1.32707443E-04  1.61397361E-04
 -2.32704533E-05 -8.99337242E-03 -5.94239968E-03 -3.41376806E-03 -3.92287644E-17
 -2.31021025E-03  1.61397362E-04  4.27596645E-05  2.73358259E-04  1.49340976E-04
  1.94687698E-16  1.49172442E-04 -1.32707444E-04 -2.32704535E-05 -7.44291474E-03
 -6.53328494E-03  3.96425877E-03  9.79498986E-16 -2.03455567E-03  1.11037398E-04
  9.94236535E-03 -7.65929769E-03 -1.11340919E-03  1.33248754E-16 -3.84324786E-03
  6.80177745E-01  3.17842394E-02  1.99326433E-03 -7.04655759E-17  9.51068275E-06
 -1.66147211E-01 -1.39467557E-02  3.64265808E-03  5.90445989E-17  2.60105661E-03
 -9.94236541E-03  7.65929773E-03 -1.11340918E-03 -3.76456235E-16 -3.84324791E-03
 -6.80177751E-01 -3.17842397E-02  1.99326435E-03 -1.23444258E-16  9.51068516E-06
 -6.13482962E-03  1.66566005E-03  6.13482967E-03  2.09585308E-03 -1.48219927E-04
  2.36415229E-05  7.94732275E-17  8.18074334E-05  2.94416522E-03  1.96557890E-04
 -4.43713202E-05  8.64771136E-17 -7.28564563E-05 -1.86936394E-04  2.40959069E-05
 -4.34802768E-06 -2.09585304E-03  1.48219928E-04  2.36415237E-05 -2.73916133E-17
  8.18074326E-05 -2.40959068E-05 -2.94416520E-03 -1.96557889E-04 -4.43713200E-05
 -4.74126744E-17 -7.28564557E-05  1.86936393E-04  4.34802764E-06  1.66147213E-01
  1.39467559E-02  3.64265811E-03 -1.61474227E-16  2.60105663E-03 -1.66566006E-03
  5.93707674E-03 -3.97240918E-03  1.06281760E-03 -1.42677487E-17 -4.80903535E-03
  6.73366580E-01  3.14524848E-02  1.84667177E-03 -1.11842934E-15  2.89042268E-04
 -1.91976658E-01 -1.46812496E-02  3.63694756E-03 -6.15535581E-16  2.52446360E-03
  5.93707665E-03 -3.97240911E-03 -1.06281761E-03 -4.73431745E-16  4.80903531E-03
  6.73366574E-01  3.14524845E-02 -1.84667175E-03  1.15986035E-16 -2.89042268E-04
 -6.13498344E-03  1.77869380E-03 -6.13498338E-03 -4.63312236E-03 -1.31183754E-04
  8.94101867E-05  1.33809686E-16 -9.05298253E-05 -2.13282259E-03 -1.26903546E-04
  1.15752101E-05  1.41990756E-16  6.22864394E-05  1.83924885E-04 -6.06121355E-06
  2.56911098E-06 -4.63312238E-03 -1.31183752E-04 -8.94101865E-05 -3.51340343E-16
  9.05298261E-05 -6.06121376E-06 -2.13282261E-03 -1.26903547E-04 -1.15752105E-05
 -5.74113246E-16 -6.22864401E-05  1.83924887E-04  2.56911102E-06 -1.91976657E-01
 -1.46812495E-02 -3.63694752E-03  8.89021908E-16 -2.52446358E-03  1.77869379E-03
 -5.34241881E-03  4.39835107E-03  3.98510636E-03  4.22736904E-17 -2.79254252E-03
  1.67036305E-01  8.39756472E-04 -3.49244174E-03 -1.66606745E-17 -2.21749861E-03
  6.79660775E-01  2.85057983E-02  8.36357116E-04  9.87130420E-17 -6.14992988E-04
  5.34241884E-03 -4.39835109E-03  3.98510637E-03 -1.13034815E-18 -2.79254252E-03
 -1.67036304E-01 -8.39756461E-04 -3.49244173E-03  6.54430013E-17 -2.21749860E-03
 -1.31959794E-03 -6.01231076E-03  1.31959794E-03 -3.29384304E-02 -1.32635571E-03
 -8.53809237E-05 -7.34821507E-18  9.29719213E-06  2.09737747E-03  3.94727026E-04
 -1.77761014E-04  6.13872589E-17  6.64732080E-05 -4.56454552E-05  2.53850042E-04
 -2.22974696E-05  3.29384301E-02  1.32635569E-03 -8.53809231E-05 -5.59276019E-17
  9.29719172E-06 -2.53850038E-04 -2.09737745E-03 -3.94727022E-04 -1.77761012E-04
 -6.85530334E-17  6.64732070E-05  4.56454551E-05  2.22974693E-05 -6.79660773E-01
 -2.85057982E-02  8.36357113E-04 -7.44308641E-17 -6.14992988E-04  6.01231075E-03
  7.00184848E-03 -5.32672880E-03 -4.62546811E-03  4.96917426E-16  1.03500521E-04
  1.82615248E-01  2.08860795E-03 -3.29857447E-03  2.19783035E-16 -2.09130610E-03
  6.42629478E-01  2.65911232E-02  8.89650908E-04  1.01499849E-15 -1.88236191E-04
  7.00184845E-03 -5.32672878E-03  4.62546811E-03 -3.68748624E-16 -1.03500510E-04
  1.82615249E-01  2.08860795E-03  3.29857448E-03 -8.47013638E-16  2.09130611E-03
 -1.57644770E-03 -5.80683256E-03 -1.57644770E-03 -2.10962488E-01 -9.30437344E-03
 -4.15247591E-04 -3.48018124E-16  2.12825101E-04  1.32628109E-02  2.71413510E-03
 -1.25766049E-03 -4.84027105E-16  5.16562412E-04 -1.39795297E-04  1.83299753E-03
 -1.80847494E-04 -2.10962487E-01 -9.30437340E-03  4.15247589E-04 -3.24075070E-16
 -2.12825100E-04  1.83299753E-03  1.32628108E-02  2.71413509E-03  1.25766049E-03
  1.29929819E-16 -5.16562410E-04 -1.39795296E-04 -1.80847493E-04  6.42629480E-01
  2.65911233E-02 -8.89650910E-04  6.88619572E-16  1.88236193E-04 -5.80683258E-03
 -1.01949710E-02  5.31134467E-03 -3.35527853E-03  2.06681715E-16 -2.21629726E-03
  6.19628774E-03 -2.05025217E-04 -1.08104813E-04  1.15150929E-16 -1.02547198E-04
  3.24065337E-02  1.47990375E-03  4.94902421E-05 -6.02410473E-17 -6.99218539E-06
  1.01949716E-02 -5.31134498E-03 -3.35527862E-03  1.02912250E-16 -2.21629736E-03
 -6.19628479E-03  2.05025262E-04 -1.08104757E-04  2.00955739E-16 -1.02547168E-04
  9.70499219E-05 -2.95390913E-04 -9.70499550E-05  6.97071275E-01  3.12538117E-02
  1.56116591E-03  3.66528070E-17 -6.19217571E-04 -5.95955507E-02 -9.89735116E-03
  4.43235528E-03  7.60208098E-17 -1.58274929E-03  6.61541109E-04 -6.32503468E-03
  6.78787710E-04 -6.97071246E-01 -3.12538104E-02  1.56116584E-03  1.33274726E-17
 -6.19217546E-04  6.32503441E-03  5.95955482E-02  9.89735075E-03  4.43235509E-03
  4.86979475E-17 -1.58274923E-03 -6.61541081E-04 -6.78787681E-04 -3.24065240E-02
 -1.47990335E-03  4.94902262E-05 -8.92696895E-17 -6.99218909E-06  2.95390825E-04
  1.27687092E-02 -7.01951317E-03  2.22811885E-03  8.02963925E-16  2.17511604E-03
  6.21754846E-02  9.68559781E-04 -1.18529967E-03  5.09226199E-17 -6.26822183E-04
  2.02031493E-01  8.34122942E-03  3.37749035E-04  1.50945934E-16  9.04407314E-05
  1.27687087E-02 -7.01951294E-03 -2.22811871E-03  3.79361518E-16 -2.17511594E-03
  6.21754849E-02  9.68559771E-04  1.18529968E-03 -2.80662662E-16  6.26822189E-04
 -7.11226245E-04 -1.85100024E-03 -7.11226241E-04  6.65175076E-01  2.98518204E-02
  1.51946263E-03 -1.40011938E-15 -5.76350071E-04 -5.84647052E-02 -9.53567682E-03
  4.25471121E-03  1.21809890E-15 -1.49855439E-03  6.53150860E-04 -6.05911246E-03
  6.56098377E-04  6.65175107E-01  2.98518218E-02 -1.51946270E-03 -1.24691136E-15
  5.76350098E-04 -6.05911273E-03 -5.84647078E-02 -9.53567725E-03 -4.25471141E-03
  6.78828263E-16  1.49855446E-03  6.53150889E-04  6.56098407E-04  2.02031495E-01
  8.34122950E-03 -3.37749037E-04  5.83132021E-17 -9.04407308E-05 -1.85100026E-03
 -8.59281847E-04  2.47229838E-04 -1.98928268E-04 -8.76749152E-17 -1.49216578E-04
 -2.86454143E-03 -1.00954996E-04 -1.01700711E-04  3.43987585E-17 -4.77030798E-05
  1.43517540E-03  7.77112598E-05 -8.76128314E-05 -6.13040532E-17 -3.16603382E-05
  8.59283856E-04 -2.47230441E-04 -1.98928677E-04  5.86513304E-17 -1.49216913E-04
  2.86454986E-03  1.00955149E-04 -1.01700832E-04  4.84834786E-17 -4.77031374E-05
 -6.95385436E-05 -2.37039747E-05  6.95386766E-05  6.04994165E-02 -4.69959901E-03
 -4.23702577E-03  1.94375507E-16  1.61053358E-03  6.97965114E-01  3.02883108E-02
 -1.05132085E-03  4.73765039E-17  4.07183799E-04 -6.31317944E-03 -4.21267143E-04
 -6.30727260E-03 -6.04992827E-02  4.69958864E-03 -4.23701642E-03 -1.54250037E-17
  1.61053003E-03  4.21266209E-04 -6.97963574E-01 -3.02882440E-02 -1.05131853E-03
 -4.40261885E-17  4.07182900E-04  6.31316551E-03  6.30725867E-03 -1.43516626E-03
 -7.77111035E-05 -8.76128015E-05  2.81047027E-17 -3.16603828E-05  2.37038620E-05
  9.10495125E-04 -2.73153685E-04  1.85192894E-04  1.16968950E-16  1.51877425E-04
  3.82033529E-03  6.93045886E-05  5.50945009E-05  6.73932772E-16  2.61339593E-05
  4.14335325E-03  7.08245501E-05 -1.35366698E-05  9.78932994E-16  2.02175425E-05
  9.10493229E-04 -2.73153140E-04 -1.85192455E-04  4.18857439E-16 -1.51877096E-04
  3.82032897E-03  6.93043658E-05 -5.50942764E-05 -3.85214996E-16 -2.61338540E-05
  6.02603528E-05 -5.10715721E-05  6.02601993E-05  6.06048188E-02 -4.69567499E-03
 -4.23505571E-03 -4.33755684E-16  1.61091897E-03  6.97939328E-01  3.02855174E-02
 -1.05003562E-03 -3.14190367E-16  4.07112809E-04 -6.31297662E-03 -4.22968939E-04
 -6.30713499E-03  6.06049524E-02 -4.69568536E-03  4.23506506E-03 -5.82263444E-17
 -1.61092253E-03 -4.22969869E-04  6.97940869E-01  3.02855842E-02  1.05003794E-03
 -4.46310051E-17 -4.07113708E-04 -6.31299055E-03 -6.30714891E-03  4.14335642E-03
  7.08247216E-05  1.35368632E-05  5.20458574E-17 -2.02174726E-05 -5.10716244E-05
 -1.12338337E-01  2.90545213E-01  4.17941145E-02 -3.51825278E-16  2.49443044E-02
 -9.61672155E-02  2.41095023E-01  4.83764995E-02  5.56098242E-16 -3.93226047E-02
 -9.57074095E-02  2.39359505E-01  1.12963025E-02  7.13349944E-16 -6.11286314E-02
 -1.12338337E-01  2.90545213E-01 -4.17941145E-02 -1.33864295E-16 -2.49443044E-02
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Beta MO coefficients                       R   N=        3600
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  2.26542922E-16  2.21734504E-01 -1.51488903E-01  7.16044420E-02 -4.70104209E-02
  3.43013935E-01  1.54627035E-02  2.06130134E-16  6.14431546E-01  2.88053903E-01
Orthonormal basis                          R   N=        3600
  5.42702852E-02  2.11628457E-01  9.32933983E-02 -7.03680984E-17  5.65106113E-02
  5.45308765E-02  2.10546137E-01  9.88184421E-02 -3.47514572E-18 -5.73779037E-02
  5.44828461E-02  2.10472880E-01  4.01830864E-03 -1.30752523E-18 -1.14606337E-01
  5.42702852E-02  2.11628457E-01 -9.32933983E-02 -6.01185295E-19 -5.65106113E-02
  5.45308765E-02  2.10546137E-01 -9.88184421E-02 -1.01308780E-18  5.73779037E-02
  7.41289480E-02  7.30566260E-02  7.41289480E-02  1.52467669E-02  6.62662347E-02
 -3.20607636E-02 -1.10971511E-19 -2.49169234E-02  7.81328897E-03  3.19425743E-02
 -2.02293885E-02 -2.92579009E-20 -7.22966641E-03  2.48744785E-02  3.29949704E-02
  1.00471805E-02  1.52467669E-02  6.62662347E-02  3.20607636E-02 -3.68701487E-18
  2.49169234E-02  3.29949704E-02  7.81328897E-03  3.19425743E-02  2.02293885E-02
 -8.01308712E-19  7.22966641E-03  2.48744785E-02  1.00471805E-02  5.44828461E-02
  2.10472880E-01 -4.01830864E-03 -3.94651844E-18  1.14606337E-01  7.30566260E-02
 -4.91847149E-02 -1.74435284E-01  7.42572769E-02  7.28418042E-17  1.83360852E-02
 -2.85415385E-02 -9.80912406E-02  5.77121294E-02 -5.65651391E-17  5.41534993E-02
  1.46184112E-02  5.11299427E-02  8.12325987E-02 -7.59512258E-18  1.49607309E-02
  4.91847149E-02  1.74435284E-01  7.42572769E-02 -3.36156139E-18  1.83360852E-02
  2.85415385E-02  9.80912406E-02  5.77121294E-02 -3.17183585E-18  5.41534993E-02
 -8.08680512E-02  4.17428075E-02  8.08680512E-02  6.72683951E-02  2.32258607E-01
  1.45699664E-02 -7.23472818E-19 -4.59638400E-02  5.53607585E-02  1.90580612E-01
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  1.19152147E-02  4.58503725E-02  1.34274021E-01 -1.29307936E-17  5.05344271E-02
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  3.64409012E-02  5.08522408E-03  3.64409012E-02  7.17977737E-02  2.34589145E-01
  6.84109444E-02 -2.87644548E-18 -3.02496779E-02  7.10857578E-02  2.33209968E-01
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  6.14620203E-02  1.90573025E-01  1.33718927E-02  2.37738219E-16  9.39683965E-02
  7.86486772E-02  2.44806232E-01 -3.17888967E-02  8.45158067E-18  4.17081047E-02
  1.90221859E-02  5.99347289E-02 -7.30602965E-02  4.09465928E-18  1.49683354E-01
 -6.14620203E-02 -1.90573025E-01  1.33718927E-02  2.35402889E-18  9.39683965E-02
  1.43950357E-01  1.80632696E-01 -1.43950357E-01  1.45611039E-02  4.53096022E-02
 -7.32036819E-02  1.02412474E-18  6.22082777E-02 -1.78388266E-02 -4.92645117E-02
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  1.06699730E-01 -2.77396174E-02 -1.06699730E-01  1.61937416E-02  4.29471353E-02
  1.85436968E-01  3.05020588E-19  5.67919329E-02  7.53083755E-02  2.04009480E-01
  3.20252306E-02  6.43403067E-20  6.70425971E-02  9.22859757E-02  4.24666240E-02
  1.69714875E-01 -1.61937416E-02 -4.29471353E-02  1.85436968E-01  2.16188456E-17
  5.67919329E-02 -4.24666240E-02 -7.53083755E-02 -2.04009480E-01  3.20252306E-02
  7.67895104E-18  6.70425971E-02 -9.22859757E-02 -1.69714875E-01  1.56957021E-02
  4.33680261E-02 -1.39153331E-01  2.46881752E-17 -5.42635622E-03  2.77396174E-02
 -2.21034664E-02 -6.08970138E-02 -3.70610004E-02  1.94537577E-17  2.14140534E-01
  5.51324123E-02  1.33879533E-01 -6.43782862E-02 -7.95876926E-17 -1.78666023E-02
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  5.51324123E-02  1.33879533E-01  6.43782862E-02 -1.19049828E-17  1.78666023E-02
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  1.21987667E-01 -5.36848063E-18 -1.18921893E-01  3.72785796E-02  9.24880295E-02
  2.85914282E-02 -1.85131919E-18 -7.51864237E-02  1.14333534E-01 -1.51110793E-01
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  1.79465417E-02  4.25182118E-02  5.37372702E-02 -3.90839121E-17  2.33320915E-01
  6.33126353E-02  1.44852984E-01 -1.52007271E-01 -2.39396686E-17  1.25415491E-01
 -7.27068154E-02 -1.61465030E-01 -8.95483155E-02  1.61848728E-18  4.07053267E-02
  1.79465417E-02  4.25182118E-02 -5.37372702E-02  5.57481036E-18 -2.33320915E-01
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  1.11042280E-01  1.29503311E-20  1.02688407E-01  3.60341440E-02  8.45575435E-02
  8.99107478E-02  3.70355990E-20  5.66031734E-02  3.86120061E-02  2.03219088E-02
  1.18584286E-01 -2.32066565E-02 -5.77303936E-02 -1.11042280E-01  2.45522610E-17
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  9.47127683E-18 -5.66031734E-02  3.86120061E-02  1.18584286E-01  6.33126353E-02
  1.44852984E-01  1.52007271E-01  2.11483217E-17 -1.25415491E-01  1.73432618E-01
  6.38216916E-03  2.69624466E-02 -1.73714225E-01  7.19796874E-17 -3.23124083E-02
  4.10776066E-02  1.05875158E-01 -1.88643001E-01 -1.64540185E-17  1.08505399E-01
  3.81482802E-03  2.31533063E-02 -6.82840039E-02 -2.23119436E-17  1.65660892E-01
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  2.00939081E-01  1.16399273E-01  2.00939081E-01  1.20983536E-02  2.27445292E-02
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 -3.49556060E-01 -2.13415095E-03  3.49556060E-01 -7.61851551E-02  3.54430072E-01
 -3.79292361E-01  3.24123638E-16  4.53008784E-02 -6.25457806E-02  3.27593271E-01
  5.89828324E-02  5.76357322E-16  1.83979450E-02 -1.77316109E-01 -2.25555558E-01
 -1.70479858E-01  7.61851551E-02 -3.54430072E-01 -3.79292361E-01 -1.34108899E-16
  4.53008784E-02  2.25555558E-01  6.25457806E-02 -3.27593271E-01  5.89828324E-02
 -3.03198443E-16  1.83979450E-02  1.77316109E-01  1.70479858E-01  6.10025439E-03
 -2.82556591E-02  6.13543606E-01  1.54444372E-16  1.49631740E-02  2.13415095E-03
 -1.86395380E-01  9.26632666E-01  1.26054705E-01  1.76114921E-16  1.45726775E-01
  1.56053966E-01 -7.78730091E-01  4.34525875E-03 -1.12369568E-16  2.28921579E-01
  3.64845096E-02 -1.86577441E-01 -4.30897769E-01  9.22821176E-17  1.55546926E-02
 -1.86395380E-01  9.26632666E-01 -1.26054705E-01  1.06899355E-16 -1.45726775E-01
  1.56053966E-01 -7.78730091E-01 -4.34525875E-03 -2.47943619E-16 -2.28921579E-01
  2.47845468E-01  6.28953467E-02  2.47845468E-01 -9.08621203E-03  7.47613125E-02
  3.64901926E-01  2.76505360E-17  8.14457928E-02  6.85321689E-02 -3.62845295E-01
  1.07123751E-01 -1.75544539E-16 -1.38851997E-01  3.35597317E-02 -3.47922247E-02
  1.43876458E-01 -9.08621203E-03  7.47613125E-02 -3.64901926E-01 -7.05989481E-17
 -8.14457928E-02 -3.47922247E-02  6.85321689E-02 -3.62845295E-01 -1.07123751E-01
  7.07239401E-17  1.38851997E-01  3.35597317E-02  1.43876458E-01  3.64845096E-02
 -1.86577441E-01  4.30897769E-01 -1.68522663E-16 -1.55546926E-02  6.28953467E-02
  7.98179685E-02 -3.96923269E-01 -1.91487067E-01  3.13615900E-16  2.99955483E-01
  1.34493478E-01 -6.86469560E-01 -2.71808957E-01 -1.19692728E-16 -2.48805603E-01
 -2.04681031E-01  1.04321090E+00 -1.02317615E-01 -1.43009595E-17 -1.54813891E-01
  7.98179685E-02 -3.96923269E-01  1.91487067E-01 -4.99243571E-16 -2.99955483E-01
  1.34493478E-01 -6.86469560E-01  2.71808957E-01 -3.73913388E-16  2.48805603E-01
  2.15244073E-01 -3.22018979E-01  2.15244073E-01 -4.71690623E-02  2.36026532E-01
 -1.12921187E-01  4.36319965E-16  2.95565855E-02  6.26776527E-03 -1.47268117E-02
  5.42146007E-02  1.76626179E-16 -1.03530144E-02 -3.30082857E-02 -9.82554262E-02
 -1.10571395E-02 -4.71690623E-02  2.36026532E-01  1.12921187E-01 -2.07827706E-16
 -2.95565855E-02 -9.82554262E-02  6.26776527E-03 -1.47268117E-02 -5.42146007E-02
 -2.46018216E-16  1.03530144E-02 -3.30082857E-02 -1.10571395E-02 -2.04681031E-01
  1.04321090E+00  1.02317615E-01 -1.55880131E-16  1.54813891E-01 -3.22018979E-01
  9.25725727E-03 -3.30659299E-02  2.49950553E-01 -1.23795984E-16  2.22823065E-02
  2.57082101E-02 -1.39648811E-01 -1.48074015E-01  5.79717176E-16 -5.45039337E-02
 -4.54382499E-02  2.63605100E-01 -5.39150640E-02 -2.20800746E-16 -9.11111404E-02
 -9.25725727E-03  3.30659299E-02  2.49950553E-01  5.01307716E-16  2.22823065E-02
 -2.57082101E-02  1.39648811E-01 -1.48074015E-01 -7.66556441E-16 -5.45039337E-02
 -1.23470763E-02 -6.32561758E-02  1.23470763E-02  1.67852106E-01 -9.30605447E-01
 -4.50026079E-01  4.29185183E-16  1.54486205E-01 -1.68028062E-01  9.34178620E-01
 -4.30854563E-01  1.12685041E-15  1.71415457E-01 -1.96237342E-01  2.22617315E-01
 -2.13402928E-01 -1.67852106E-01  9.30605447E-01 -4.50026079E-01 -4.38301981E-17
  1.54486205E-01 -2.22617315E-01  1.68028062E-01 -9.34178620E-01 -4.30854563E-01
  2.52583374E-16  1.71415457E-01  1.96237342E-01  2.13402928E-01  4.54382499E-02
 -2.63605100E-01 -5.39150640E-02 -5.17054251E-16 -9.11111404E-02  6.32561758E-02
  6.90225189E-02 -3.46181735E-01  1.54429413E-01  1.57952554E-16 -7.58537189E-02
 -5.78735163E-02  3.16156921E-01 -7.57662276E-03  7.31303971E-16 -7.44101836E-02
  1.01993285E-02 -6.30314400E-02  1.07843080E-01 -2.26300003E-16  3.84110316E-02
  6.90225189E-02 -3.46181735E-01 -1.54429413E-01 -1.43981488E-16  7.58537189E-02
 -5.78735163E-02  3.16156921E-01  7.57662276E-03  1.28289399E-16  7.44101836E-02
 -1.10694486E-01  2.04570118E-02 -1.10694486E-01 -1.70363873E-01  9.38037961E-01
  4.07384857E-01  5.80498698E-16 -1.81937545E-01  1.63410331E-01 -9.12597619E-01
  4.21941872E-01  1.20358401E-16 -1.51217447E-01  2.07819700E-01 -2.13834442E-01
  2.01335649E-01 -1.70363873E-01  9.38037961E-01 -4.07384857E-01 -2.22257053E-17
  1.81937545E-01 -2.13834442E-01  1.63410331E-01 -9.12597619E-01 -4.21941872E-01
 -3.14847872E-16  1.51217447E-01  2.07819700E-01  2.01335649E-01  1.01993285E-02
 -6.30314400E-02 -1.07843080E-01  1.66690837E-16 -3.84110316E-02  2.04570118E-02
  1.55398563E-01 -8.45306913E-01 -2.74809461E-01 -2.93272958E-16 -1.83191207E-01
 -1.56936470E-01  8.68539055E-01  3.04423966E-01  6.18239598E-17 -1.60097097E-01
  1.54100199E-01 -8.50446025E-01  1.08837385E-02 -1.92434885E-16  3.43815534E-01
 -1.55398563E-01  8.45306913E-01 -2.74809461E-01  3.48234621E-16 -1.83191207E-01
  1.56936470E-01 -8.68539055E-01  3.04423966E-01 -8.91969637E-17 -1.60097097E-01
 -1.37291928E-01  1.25155446E-01  1.37291928E-01  4.84620952E-02 -2.48255325E-01
  2.06317538E-03 -1.37051702E-16  7.74840589E-02 -2.97936406E-02  1.67351287E-01
 -8.27052316E-02 -1.48578245E-16  2.41199399E-03 -5.93642425E-02  4.30866085E-02
 -2.59635874E-02 -4.84620952E-02  2.48255325E-01  2.06317538E-03  1.53355342E-17
  7.74840589E-02 -4.30866085E-02  2.97936406E-02 -1.67351287E-01 -8.27052316E-02
  1.58478604E-16  2.41199399E-03  5.93642425E-02  2.59635874E-02 -1.54100199E-01
  8.50446025E-01  1.08837385E-02 -6.46483838E-18  3.43815534E-01 -1.25155446E-01
Total SCF Density                          R   N=        1830
  2.06765288E+00 -2.13208377E-01  8.69532530E-01  1.12162838E-03 -1.68663561E-02
  6.26108960E-01 -5.21887051E-16  5.38593343E-16  4.49028993E-16  6.64668551E-01
 -4.09896307E-05 -9.52545867E-03 -7.77368626E-04 -2.31185428E-16  6.20579757E-01
  2.41637459E-02 -6.27836490E-02  2.72880970E-03  2.47994723E-16 -1.11813671E-01
  2.06723021E+00 -6.21886751E-02  7.81765055E-02 -9.83526793E-03 -5.03830912E-16
  2.80065672E-01 -2.06894249E-01  8.37807631E-01  1.76067500E-04  4.05402286E-03
  2.44989047E-02  6.40449969E-16  7.17484782E-03  8.15364862E-03 -4.33245702E-02
  6.47259757E-01 -5.68765822E-16  5.99911569E-16  6.30618591E-16  3.80678142E-01
 -7.14291756E-17  2.24670299E-16 -2.03921528E-16  4.94262618E-16  7.38242936E-01
  1.11741790E-01 -2.87853597E-01  1.36771835E-02  3.80719721E-16 -4.75871295E-01
 -5.18650705E-03  2.51684365E-02 -2.60887589E-02  2.99137073E-16  5.97134740E-01
 -4.46503175E-03  1.38233431E-02  8.64716120E-03  9.75547699E-16  1.97077929E-02
  2.52685740E-02 -6.57421012E-02 -1.01342887E-01  1.19566794E-16 -5.53096701E-02
  2.06752947E+00  1.30887591E-02 -3.07790415E-02 -3.85821630E-02 -2.12909875E-16
 -6.68942448E-02 -6.56025621E-02  8.44538910E-02  2.61058316E-01  3.14002395E-16
  1.31006470E-01 -2.08347466E-01  8.43619061E-01 -1.40502255E-02  4.66968530E-02
  3.19459703E-02  8.02154181E-17  5.49384645E-02  9.71257256E-02 -2.41396620E-01
 -3.37662605E-01  1.53655427E-16 -2.05690946E-01 -1.00631629E-04  2.22507221E-03
  5.85480952E-01  9.27654784E-16  2.41417263E-16 -6.32681976E-16  3.04759494E-02
  5.35442471E-17 -4.28892488E-16  2.79232487E-16 -5.05253000E-16  5.86579850E-01
  5.02580607E-16  1.20765208E-15 -1.48449803E-15  1.80704458E-16  7.35391170E-01
 -2.14311075E-02  8.56108060E-02  1.10067746E-02 -4.12472646E-16  8.41326222E-02
  6.33535683E-02 -1.69478582E-01 -2.21355601E-01 -1.51858330E-16 -1.08314070E-01
 -1.03774665E-02  5.40187238E-02  7.44894768E-03 -4.99201388E-16  6.57945856E-01
 -4.07440530E-03  1.42559074E-02  1.07103121E-02  1.61557034E-16  6.51986954E-03
 -4.41484402E-03  1.29327869E-02  2.51908146E-02 -6.37744425E-16  2.06505927E-03
  2.40380578E-02 -6.20343311E-02 -9.81892282E-02  8.66288027E-16  5.35438131E-02
  2.06765288E+00  1.42559074E-02 -4.98753189E-02 -3.98160925E-02 -4.06517302E-16
 -2.46485778E-02  1.35352638E-02 -3.01787421E-02 -9.55777011E-02  3.92441089E-16
  1.19790759E-04 -6.29119929E-02  7.98008984E-02  2.51955770E-01  1.31361879E-15
 -1.45595707E-01 -2.13208377E-01  8.69532530E-01 -1.07103121E-02  3.98160925E-02
  1.69981528E-02 -7.21010215E-16  4.49596986E-02 -2.19681733E-02  7.87412435E-02
  1.02402879E-01 -9.18396109E-16  1.84994596E-02  9.85569258E-02 -2.46805055E-01
 -3.60197817E-01  8.36983532E-16  2.10255399E-01 -1.12162838E-03  1.68663561E-02
  6.26108960E-01 -3.77511125E-16 -1.27100563E-16  1.27460685E-15 -1.75299548E-01
  4.45857133E-16 -7.73375248E-18 -8.84460605E-16  9.45451472E-16  3.30074554E-02
 -1.08491808E-15 -2.30716948E-16 -9.84519889E-16  4.58686262E-16  3.81417392E-01
 -6.64552359E-16 -7.86274568E-16 -3.09028142E-17  7.62211343E-16  6.64668551E-01
 -6.51986954E-03  2.46485778E-02  4.49596986E-02  8.24378678E-16 -3.18292925E-02
  1.57504085E-03  2.38429084E-03 -2.43396669E-02  9.84861663E-17  1.61884623E-02
 -5.36663365E-02  1.36272647E-01  2.11954048E-01  6.58328943E-16 -9.59438718E-02
  4.09896307E-05  9.52545867E-03 -7.77368626E-04 -5.72276373E-16  6.20579757E-01
 -4.41484402E-03  1.35352638E-02  2.19681733E-02 -6.49579360E-16 -1.57504085E-03
 -4.09853740E-03  1.38879403E-02  1.02435812E-02  6.01093076E-16 -6.12297506E-03
 -4.83816870E-03  1.59643205E-02  1.40078759E-02 -5.38578641E-16 -1.97367317E-02
  2.41637459E-02 -6.27836490E-02 -2.72880970E-03  7.88810831E-16  1.11813671E-01
  2.06723021E+00  1.29327869E-02 -3.01787421E-02 -7.87412435E-02  8.95912103E-16
 -2.38429084E-03  1.38879403E-02 -4.63018036E-02 -3.71241479E-02 -6.93963931E-16
  2.29829564E-02  1.60820477E-02 -4.32756745E-02 -4.78245671E-02  5.87621176E-17
  7.96871119E-02 -6.21886751E-02  7.81765055E-02  9.83526793E-03 -9.93282980E-17
 -2.80065672E-01 -2.06894249E-01  8.37807631E-01 -2.51908146E-02  9.55777011E-02
  1.02402879E-01 -1.27056664E-16 -2.43396669E-02 -1.02435812E-02  3.71241479E-02
  1.90486771E-02 -7.24315693E-17 -3.74658639E-02 -1.11290832E-02  4.91600320E-02
  3.80036536E-02 -9.65335277E-16 -1.32685041E-02 -1.76067500E-04 -4.05402286E-03
  2.44989047E-02 -5.58799322E-16  7.17484782E-03 -8.15364862E-03  4.33245702E-02
  6.47259757E-01 -5.96779195E-16 -7.35978752E-16 -7.86425365E-16  3.30074554E-02
 -2.78209240E-16 -3.09053097E-16  1.23598749E-15 -7.59809218E-16 -2.63721190E-01
 -5.67968102E-16 -3.59005247E-16 -1.26709381E-16  1.54916773E-16 -1.12024360E-01
  6.21981108E-16 -6.40610115E-16 -5.74247606E-16  5.62991530E-16  3.80678142E-01
 -1.33179649E-15  1.20779434E-16  7.42800918E-16  1.04542894E-15  7.38242936E-01
 -2.06505927E-03 -1.19790759E-04  1.84994596E-02 -1.89211918E-15  1.61884623E-02
  6.12297506E-03 -2.29829564E-02 -3.74658639E-02 -1.25853418E-16 -2.83336956E-02
  2.17676078E-02 -7.98820203E-02 -6.63659455E-02 -9.55184586E-18  7.88616846E-02
 -1.11741790E-01  2.87853597E-01  1.36771835E-02  1.53752493E-15 -4.75871295E-01
  5.18650705E-03 -2.51684365E-02 -2.60887589E-02  1.33626312E-15  5.97134740E-01
  2.52876263E-02 -9.61481664E-02  5.50636055E-02 -1.46719119E-15 -1.15450568E-01
 -1.14502472E-01  2.98299848E-01 -4.69596673E-01 -2.75571077E-16  2.66178453E-01
  2.74678799E-02 -1.02509438E-01  1.12700744E-01  1.45786113E-15  3.83346566E-03
 -1.75236824E-02  6.90501508E-02 -8.63975436E-02 -1.89941881E-16  4.53342430E-02
 -2.04772936E-03  6.95549870E-03 -5.85809547E-03  2.53292541E-16 -1.22753291E-03
  5.39747026E-01 -1.75572042E-02  6.89481822E-02  2.53806310E-04 -1.09240682E-15
  9.68514580E-02  2.74454690E-02 -1.02459715E-01 -5.66657775E-02  3.42541128E-16
 -9.75497265E-02 -1.14317690E-01  2.99525576E-01 -1.19857764E-02  1.78032308E-16
  5.39326885E-01  2.57707080E-02 -9.88816511E-02  7.68272364E-02  8.68604786E-16
 -1.01826320E-01 -1.69537067E-02  6.48034048E-02 -7.24014820E-03  1.45811607E-15
  9.32755215E-02 -7.41653702E-02  5.35942697E-01 -1.75236824E-02  6.90501508E-02
  8.63975436E-02  2.68375527E-16 -4.53342430E-02 -2.04772936E-03  6.95549870E-03
  5.85809547E-03  3.28282597E-16  1.22753291E-03 -1.70881065E-02  6.51854218E-02
  8.04080808E-02  2.95419985E-16 -5.12957923E-02  2.52876263E-02 -9.61481664E-02
 -5.50636055E-02 -2.81440379E-16  1.15450568E-01 -1.14502472E-01  2.98299848E-01
  4.69596673E-01 -3.72454473E-16 -2.66178453E-01  1.82539610E-02 -4.55381233E-02
  5.39747026E-01 -4.69734800E-05  5.03541700E-04 -6.02725770E-04  8.05025901E-17
  3.45883069E-04  3.25784064E-03 -1.20436448E-02 -1.48988847E-02  5.45421175E-16
 -7.74085852E-03 -6.03643818E-03  2.19734754E-02  2.36310596E-02 -5.70215776E-16
  5.65630702E-03  2.13459555E-02 -5.84815429E-02 -8.86126145E-02  1.66805885E-15
 -5.56181676E-02 -4.81554205E-03  1.59120724E-02  1.28104286E-02 -7.59388827E-17
  1.76343184E-02  5.55055737E-03  1.41058488E-02  1.10490578E-02  2.06762836E+00
  1.11117776E-03 -5.25923652E-03 -1.00714566E-03  1.06281382E-15 -3.18004850E-03
 -1.29438156E-02  4.50420705E-02  6.36828624E-02 -3.49428322E-16  3.21360512E-02
  2.33490829E-02 -7.81281976E-02 -9.89968004E-02 -2.60949153E-17 -2.79719131E-02
 -5.78658275E-02  9.40735175E-02  2.41819792E-01 -1.67920850E-15  1.45205498E-01
  1.59521148E-02 -4.71040345E-02 -5.55902672E-02  9.33563960E-16 -6.15601378E-02
 -2.45520375E-02 -5.46930028E-02 -4.40862474E-02 -2.07966994E-01  8.40930549E-01
  9.01114817E-04 -3.18828994E-03 -4.26242109E-03  6.52624822E-16 -2.26561268E-03
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Grdnt Energy                               R      0.000000000000000E+00
Grdnt NVar                                 I               54
Grdnt IGetFC                               I                0
Internal Forces                            R   N=          54
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  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
Internal Force Constants                   R   N=        1485
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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
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  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  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
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
Mulliken Charges                           R   N=          20
  5.57421807E-02 -4.08133295E-02 -3.85091390E-02  5.57421807E-02 -4.08133295E-02
  1.23201520E-01  1.27045980E-01  1.23201520E-01 -4.01638811E-02 -7.67923793E-02
  1.23965720E-01  1.24620531E-01  1.41702797E-01 -4.01638811E-02  1.24620531E-01
 -7.67923793E-02  1.23965720E-01  1.41702797E-01 -3.85091390E-02  1.27045980E-01
ONIOM Charges                              I   N=          16
           1           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0
ONIOM Multiplicities                       I   N=          16
           2           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0
Atom Layers                                I   N=          20
           1           1           1           1           1           1
           1           1           1           1           1           1
           1           1           1           1           1           1
           1           1
Atom Modifiers                             I   N=          20
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0
Force Field                                I                0
Atom Modified Types                        C   N=          20
                                                            
                                                            
                                                            
                                                            
Int Atom Modified Types                    I   N=          20
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0
Link Atoms                                 I   N=          20
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0
Atom Modified MM Charges                   R   N=          20
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
Link Distances                             R   N=          80
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
Cartesian Gradient                         R   N=          60
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
Nonadiabatic coupling                      R   N=          60
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
Anisotropic Hyperfine tensors              R   N=         120
 -1.08606706E-01 -1.64956119E-16  2.23173067E-01 -1.06688991E-03  8.04099897E-17
 -1.14566361E-01 -1.86171219E-02  1.28371691E-16  2.97242319E-02  1.17669909E-04
 -1.22673588E-16 -1.11071100E-02 -9.49685558E-03 -1.33491790E-16  2.41825890E-02
 -4.39602468E-03 -2.04594245E-15 -1.46857334E-02 -1.08606706E-01 -3.18796852E-17
  2.23173067E-01 -1.06688991E-03  2.00561977E-16 -1.14566361E-01 -1.86171219E-02
 -2.26265462E-17  2.97242319E-02  1.17669909E-04 -3.23240706E-15 -1.11071100E-02
  1.64414883E-03 -3.66531287E-17 -5.04505461E-03 -3.71168859E-03  1.41074346E-17
  3.40090579E-03 -2.04955964E-03 -4.71650404E-18 -4.02737321E-03 -3.42435162E-03
  1.65534121E-16  6.07693285E-03  1.64414883E-03 -2.70905221E-16 -5.04505461E-03
 -3.71168859E-03  6.51473392E-17  3.40090579E-03  3.68982098E-02 -2.68637755E-16
 -4.53110428E-02 -4.92238519E-03 -1.11554199E-16  8.41283293E-03 -1.66133394E-01
  2.53449241E-16  3.33839659E-01  2.16164879E-03 -4.29535464E-15 -1.67706265E-01
 -1.83735430E-02 -1.71942823E-16 -8.98400790E-03 -1.21277450E-02  7.11997953E-16
  2.73575509E-02  4.33517013E-03 -3.43195674E-17 -4.46278409E-03 -2.21712191E-03
  7.77555245E-17  1.27613961E-04  1.17705514E-02  1.89165473E-16 -8.29467776E-03
  2.75820417E-02 -1.31172663E-17 -3.47587367E-03  3.68982098E-02  2.11207673E-15
 -4.53110428E-02 -4.92238519E-03  3.17076637E-16  8.41283293E-03  4.33517013E-03
  9.52016582E-17 -4.46278409E-03 -2.21712191E-03 -1.25597561E-16  1.27613962E-04
 -1.66133394E-01 -2.69696678E-16  3.33839659E-01  2.16164879E-03 -1.03947419E-16
 -1.67706265E-01 -1.83735430E-02 -3.92229915E-18 -8.98400790E-03 -1.21277450E-02
 -4.10201300E-17  2.73575509E-02  1.17705514E-02  1.48657685E-16 -8.29467776E-03
  2.75820417E-02  1.29948489E-16 -3.47587367E-03 -9.49685558E-03 -2.62309816E-15
  2.41825890E-02 -4.39602468E-03 -1.34282890E-16 -1.46857334E-02 -2.04955964E-03
 -7.40305793E-17 -4.02737321E-03 -3.42435162E-03  3.64720041E-17  6.07693285E-03
Isotropic Hyperfine splittings             R   N=          20
  2.54253176E-02 -8.58919886E-04 -1.66934293E-03  2.54253176E-02 -8.58919886E-04
 -5.97541099E-04 -5.17660589E-04 -5.97541099E-04 -1.55723091E-02  3.91046072E-02
 -5.08559538E-03  6.75708797E-04 -5.22916192E-03 -1.55723091E-02  6.75708797E-04
  3.91046072E-02 -5.08559538E-03 -5.22916192E-03 -1.66934293E-03 -5.17660590E-04
QEq coupling tensors                       R   N=         120
  1.82496091E-02 -2.50986945E-16 -2.74951182E-02 -6.05098617E-03  1.83906065E-16
  9.24550907E-03  4.52568837E-03 -7.22869360E-17  7.12440107E-02 -3.07054258E-02
 -1.88057386E-17 -7.57696990E-02 -8.35721601E-02  1.24761055E-16  6.81612445E-02
  1.77308689E-02 -9.80423289E-17  1.54109156E-02  1.82496091E-02 -3.37914359E-16
 -2.74951182E-02 -6.05098617E-03 -7.22098720E-16  9.24550907E-03  4.52568837E-03
  2.09408475E-15  7.12440107E-02 -3.07054258E-02  2.99171681E-15 -7.57696990E-02
 -1.85748944E-01 -1.62033273E-17  1.51641559E-01  1.82888909E-01  1.27567236E-17
  3.41073852E-02  1.36012042E-01 -8.19674119E-18  1.49457056E-01  8.77443496E-03
  2.23532242E-16 -2.85469098E-01 -1.85748944E-01 -4.09788716E-18  1.51641559E-01
  1.82888909E-01  1.27573444E-16  3.41073852E-02 -9.33578651E-02  3.55838240E-17
  7.50225483E-02 -4.19605930E-02  8.27227915E-17  1.83353168E-02  1.07305623E-03
  1.32143325E-16 -7.18474835E-02  4.20370162E-02 -4.92474694E-17  7.07744273E-02
  1.27269225E-01  1.21050362E-17  1.48553995E-01  8.89140775E-02 -1.86853991E-17
 -2.75823220E-01  1.23353081E-01 -2.88383929E-17  1.48861922E-01  6.41694951E-02
  2.50854880E-16 -2.72215002E-01 -1.22446414E-01  2.51286661E-17  1.45533477E-01
 -2.13539268E-01  2.03322508E-18 -2.30870631E-02 -9.33578651E-02 -8.57177678E-17
  7.50225483E-02 -4.19605930E-02  5.39648316E-17  1.83353168E-02  1.23353081E-01
 -2.05866914E-18  1.48861922E-01  6.41694951E-02 -7.13333680E-17 -2.72215002E-01
  1.07305623E-03 -1.96162711E-17 -7.18474835E-02  4.20370162E-02  2.14500596E-15
  7.07744273E-02  1.27269225E-01  4.75027747E-17  1.48553995E-01  8.89140775E-02
 -1.78586697E-16 -2.75823220E-01 -1.22446414E-01 -1.30451967E-16  1.45533477E-01
 -2.13539268E-01 -3.42142046E-17 -2.30870631E-02 -8.35721601E-02  1.25698581E-17
  6.81612445E-02  1.77308689E-02 -8.91411902E-17  1.54109156E-02  1.36012042E-01
  1.49389488E-17  1.49457056E-01  8.77443496E-03 -3.85012654E-17 -2.85469098E-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
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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
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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
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  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
  7.44000000E-01  6.09000000E-01  7.30000000E-01  7.41000000E-01  7.52000000E-01
  7.58000000E-01  7.63000000E-01  7.66000000E-01  7.58000000E-01  7.48000000E-01
  7.33000000E-01  7.01000000E-01  6.45000000E-01  6.86000000E-01  7.08000000E-01
  7.22000000E-01  7.31000000E-01  7.38000000E-01  7.44000000E-01  6.08000000E-01
  7.28000000E-01  7.32000000E-01  7.32000000E-01  7.32000000E-01  7.32000000E-01
  7.32000000E-01  7.32000000E-01  7.32000000E-01  7.32000000E-01  7.32000000E-01
  7.31000000E-01  7.31000000E-01  7.31000000E-01  7.31000000E-01  7.46000000E-01
  7.37000000E-01  7.46000000E-01  7.51000000E-01  7.55000000E-01  7.58000000E-01
  7.47000000E-01  7.32000000E-01  7.11000000E-01  7.41000000E-01  7.07000000E-01
  7.47000000E-01  7.43000000E-01  7.42000000E-01  7.42000000E-01  7.43000000E-01
  7.44000000E-01  6.05000000E-01  7.24000000E-01  7.26000000E-01  7.26000000E-01
  7.27000000E-01  7.27000000E-01  7.27000000E-01  7.28000000E-01  7.28000000E-01
  7.28000000E-01  7.28000000E-01  7.28000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01  7.29000000E-01
  1.00000000E+00  1.70400000E+00  3.23000000E-01  3.89000000E-01  4.67000000E-01
  5.67000000E-01  6.36000000E-01  6.64000000E-01  6.96000000E-01  8.79000000E-01
  3.07000000E-01  3.48000000E-01  4.00000000E-01  4.54000000E-01  5.09000000E-01
  5.65000000E-01  6.21000000E-01  6.77000000E-01  2.56000000E-01  3.50000000E-01
  3.64000000E-01  3.62000000E-01  3.62000000E-01  3.62000000E-01  3.62000000E-01
  3.65000000E-01  3.69000000E-01  3.75000000E-01  3.86000000E-01  4.46000000E-01
  4.55000000E-01  4.74000000E-01  4.96000000E-01  5.20000000E-01  5.45000000E-01
  5.70000000E-01  2.45000000E-01  3.22000000E-01  3.55000000E-01  3.59000000E-01
  3.64000000E-01  3.70000000E-01  3.76000000E-01  3.85000000E-01  3.95000000E-01
  4.08000000E-01  3.76000000E-01  4.23000000E-01  4.22000000E-01  4.32000000E-01
  4.45000000E-01  4.59000000E-01  4.75000000E-01  4.91000000E-01  2.28000000E-01
  2.92000000E-01  2.89000000E-01  2.92000000E-01  2.95000000E-01  2.98000000E-01
  3.00000000E-01  3.03000000E-01  3.06000000E-01  3.09000000E-01  3.12000000E-01
  3.15000000E-01  3.18000000E-01  3.21000000E-01  3.24000000E-01  3.61000000E-01
  3.69000000E-01  3.70000000E-01  3.72000000E-01  3.75000000E-01  3.78000000E-01
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  2.78000000E-01  2.84000000E-01  2.91000000E-01  2.97000000E-01  3.03000000E-01
  3.10000000E-01  3.16000000E-01  3.22000000E-01  3.29000000E-01  3.35000000E-01
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Gaussian Version                           C   N=           2
ES64L-G16RevA.03