-------------------------------------------------------------
----------------------- !PROPERTIES! ------------------------
-------------------------------------------------------------
# -----------------------------------------------------------
$ PAL_Flags
   description: The PAL Flags
   geom. index: 1
   prop. index: 1
        Diskflag:     2
# -----------------------------------------------------------
$ SCF_Energy
   description: The SCF energy
   geom. index: 1
   prop. index: 1
        SCF Energy:    -1171.2088911580
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 1
     Number of atoms                     : 90
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 90
  NA   - Mulliken gross atomic population
  ZA   - Total nuclear charge
  QA   - Mulliken gross atomic charge
  VA   - Mayer's total valence
  BVA  - Mayer's bonded valence
  FA   - Mayer's free valence
  ATOM       NA         ZA         QA         VA         BVA        FA
  0   0     6.2108     6.0000    -0.2108     3.9232     3.9232    -0.0000
  1   0     6.1349     6.0000    -0.1349     3.9001     3.9001    -0.0000
  2   0     6.1246     6.0000    -0.1246     3.9324     3.9324    -0.0000
  3   0     6.1448     6.0000    -0.1448     3.9178     3.9178     0.0000
  4   0     6.1037     6.0000    -0.1037     3.8570     3.8570    -0.0000
  5   0     0.9204     1.0000     0.0796     0.9715     0.9715    -0.0000
  6   0     0.9313     1.0000     0.0687     0.9804     0.9804     0.0000
  7   0     0.9215     1.0000     0.0785     0.9765     0.9765    -0.0000
  8   0     0.9168     1.0000     0.0832     0.9734     0.9734     0.0000
  9   0     0.9193     1.0000     0.0807     0.9853     0.9853    -0.0000
 10   0     0.9410     1.0000     0.0590     0.9906     0.9906    -0.0000
 11   0     0.9179     1.0000     0.0821     0.9788     0.9788     0.0000
 12   0     0.9469     1.0000     0.0531     0.9830     0.9830     0.0000
 13   0     0.9255     1.0000     0.0745     0.9876     0.9876     0.0000
 14   0     0.9399     1.0000     0.0601     0.9892     0.9892    -0.0000
 15   0     6.1559     6.0000    -0.1559     3.9293     3.9293    -0.0000
 16   0     6.1366     6.0000    -0.1366     3.8970     3.8970    -0.0000
 17   0     6.1426     6.0000    -0.1426     3.8751     3.8751    -0.0000
 18   0     6.1535     6.0000    -0.1535     3.8488     3.8488    -0.0000
 19   0     6.1552     6.0000    -0.1552     3.9062     3.9062    -0.0000
 20   0     0.9140     1.0000     0.0860     0.9786     0.9786    -0.0000
 21   0     0.9229     1.0000     0.0771     0.9773     0.9773    -0.0000
 22   0     0.9439     1.0000     0.0561     0.9774     0.9774     0.0000
 23   0     0.9055     1.0000     0.0945     0.9741     0.9741     0.0000
 24   0     0.9359     1.0000     0.0641     0.9925     0.9925    -0.0000
 25   0     0.9425     1.0000     0.0575     1.0123     1.0123    -0.0000
 26   0     0.9460     1.0000     0.0540     0.9838     0.9838    -0.0000
 27   0     0.9108     1.0000     0.0892     0.9735     0.9735    -0.0000
 28   0     0.9163     1.0000     0.0837     0.9720     0.9720    -0.0000
 29   0     0.9196     1.0000     0.0804     0.9825     0.9825    -0.0000
 30   0     6.1739     6.0000    -0.1739     3.9070     3.9070    -0.0000
 31   0     6.1332     6.0000    -0.1332     3.8883     3.8883    -0.0000
 32   0     6.1217     6.0000    -0.1217     3.8688     3.8688     0.0000
 33   0     6.2093     6.0000    -0.2093     3.8942     3.8942     0.0000
 34   0     6.1526     6.0000    -0.1526     3.8799     3.8799     0.0000
 35   0     0.9273     1.0000     0.0727     0.9848     0.9848    -0.0000
 36   0     0.9041     1.0000     0.0959     0.9716     0.9716    -0.0000
 37   0     0.9479     1.0000     0.0521     0.9989     0.9989    -0.0000
 38   0     0.9166     1.0000     0.0834     0.9770     0.9770    -0.0000
 39   0     0.9209     1.0000     0.0791     0.9749     0.9749     0.0000
 40   0     0.9316     1.0000     0.0684     0.9818     0.9818     0.0000
 41   0     0.8998     1.0000     0.1002     0.9734     0.9734     0.0000
 42   0     0.9295     1.0000     0.0705     0.9758     0.9758     0.0000
 43   0     0.9186     1.0000     0.0814     0.9824     0.9824     0.0000
 44   0     0.9120     1.0000     0.0880     0.9711     0.9711    -0.0000
 45   0     6.1462     6.0000    -0.1462     3.8663     3.8663    -0.0000
 46   0     6.1785     6.0000    -0.1785     3.9082     3.9082    -0.0000
 47   0     6.1461     6.0000    -0.1461     3.9024     3.9024    -0.0000
 48   0     6.1550     6.0000    -0.1550     3.9154     3.9154    -0.0000
 49   0     6.2084     6.0000    -0.2084     3.8792     3.8792     0.0000
 50   0     0.9302     1.0000     0.0698     0.9796     0.9796    -0.0000
 51   0     0.9144     1.0000     0.0856     0.9722     0.9722    -0.0000
 52   0     0.9192     1.0000     0.0808     0.9882     0.9882     0.0000
 53   0     0.9125     1.0000     0.0875     0.9709     0.9709     0.0000
 54   0     0.8981     1.0000     0.1019     0.9662     0.9662    -0.0000
 55   0     0.9287     1.0000     0.0713     0.9775     0.9775    -0.0000
 56   0     0.9174     1.0000     0.0826     0.9786     0.9786    -0.0000
 57   0     0.9096     1.0000     0.0904     0.9736     0.9736    -0.0000
 58   0     0.9245     1.0000     0.0755     0.9738     0.9738     0.0000
 59   0     0.9095     1.0000     0.0905     0.9736     0.9736     0.0000
 60   0     6.0989     6.0000    -0.0989     3.8786     3.8786    -0.0000
 61   0     6.1787     6.0000    -0.1787     3.8971     3.8971     0.0000
 62   0     6.2311     6.0000    -0.2311     3.8937     3.8937     0.0000
 63   0     6.0853     6.0000    -0.0853     3.8595     3.8595     0.0000
 64   0     6.1923     6.0000    -0.1923     3.9475     3.9475    -0.0000
 65   0     0.9058     1.0000     0.0942     0.9777     0.9777     0.0000
 66   0     0.9380     1.0000     0.0620     0.9783     0.9783    -0.0000
 67   0     0.9233     1.0000     0.0767     0.9735     0.9735     0.0000
 68   0     0.9186     1.0000     0.0814     0.9753     0.9753    -0.0000
 69   0     0.8979     1.0000     0.1021     0.9704     0.9704    -0.0000
 70   0     0.9208     1.0000     0.0792     0.9749     0.9749     0.0000
 71   0     0.9137     1.0000     0.0863     0.9798     0.9798    -0.0000
 72   0     0.9522     1.0000     0.0478     0.9972     0.9972     0.0000
 73   0     0.9219     1.0000     0.0781     0.9763     0.9763    -0.0000
 74   0     0.9181     1.0000     0.0819     0.9720     0.9720    -0.0000
 75   0     6.1718     6.0000    -0.1718     3.8976     3.8976    -0.0000
 76   0     6.1211     6.0000    -0.1211     3.8609     3.8609    -0.0000
 77   0     6.1905     6.0000    -0.1905     3.9017     3.9017    -0.0000
 78   0     6.1758     6.0000    -0.1758     3.9118     3.9118    -0.0000
 79   0     6.1534     6.0000    -0.1534     3.8856     3.8856     0.0000
 80   0     0.9200     1.0000     0.0800     0.9733     0.9733     0.0000
 81   0     0.9279     1.0000     0.0721     0.9791     0.9791    -0.0000
 82   0     0.9081     1.0000     0.0919     0.9724     0.9724    -0.0000
 83   0     0.9532     1.0000     0.0468     1.0001     1.0001     0.0000
 84   0     0.9199     1.0000     0.0801     0.9757     0.9757    -0.0000
 85   0     0.9040     1.0000     0.0960     0.9690     0.9690    -0.0000
 86   0     0.9120     1.0000     0.0880     0.9746     0.9746    -0.0000
 87   0     0.9087     1.0000     0.0913     0.9766     0.9766     0.0000
 88   0     0.9097     1.0000     0.0903     0.9783     0.9783     0.0000
 89   0     0.9296     1.0000     0.0704     0.9822     0.9822     0.0000
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.968750
                0             6               4            6                0.973355
                0             6               5            1                0.995407
                0             6               6            1                0.994259
                1             6               2            6                0.967191
                1             6               7            1                0.999874
                1             6               8            1                0.994899
                2             6               3            6                0.975391
                2             6               9            1                0.994218
                2             6              10            1                1.016170
                3             6               4            6                0.966926
                3             6              11            1                0.983905
                3             6              12            1                1.012592
                4             6              13            1                0.987331
                4             6              14            1                0.986732
               15             6              16            6                0.973428
               15             6              19            6                0.990898
               15             6              20            1                0.986222
               15             6              21            1                0.991766
               16             6              17            6                0.955695
               16             6              22            1                1.005697
               16             6              23            1                0.988492
               17             6              18            6                0.947662
               17             6              24            1                0.994421
               17             6              25            1                1.004312
               18             6              19            6                0.957726
               18             6              26            1                0.999806
               18             6              27            1                0.987737
               19             6              28            1                0.996388
               19             6              29            1                0.989386
               30             6              31            6                0.971167
               30             6              34            6                0.975349
               30             6              35            1                0.992677
               30             6              36            1                0.985730
               31             6              32            6                0.965816
               31             6              37            1                0.996826
               31             6              38            1                0.993591
               32             6              33            6                0.958665
               32             6              39            1                0.989154
               32             6              40            1                1.003688
               33             6              34            6                0.969657
               33             6              41            1                0.986394
               33             6              42            1                0.999944
               34             6              43            1                0.994295
               34             6              44            1                0.984735
               45             6              46            6                0.970388
               45             6              49            6                0.962388
               45             6              50            1                0.994609
               45             6              51            1                0.989407
               46             6              47            6                0.977242
               46             6              52            1                0.995475
               46             6              53            1                0.982912
               47             6              48            6                0.989102
               47             6              54            1                0.976594
               47             6              55            1                0.988209
               48             6              49            6                0.965176
               48             6              56            1                0.995324
               48             6              57            1                0.991143
               49             6              58            1                0.998044
               49             6              59            1                0.987886
               60             6              61            6                0.964836
               60             6              64            6                0.977957
               60             6              65            1                0.987706
               60             6              66            1                0.999315
               61             6              62            6                0.979033
               61             6              67            1                0.992780
               61             6              68            1                0.989509
               62             6              63            6                0.952362
               62             6              69            1                0.980158
               62             6              70            1                1.002898
               63             6              64            6                0.989454
               63             6              71            1                0.985231
               63             6              72            1                0.994092
               64             6              73            1                0.994568
               64             6              74            1                0.991260
               75             6              76            6                0.965478
               75             6              79            6                0.963942
               75             6              80            1                0.992116
               75             6              81            1                1.003246
               76             6              77            6                0.972951
               76             6              82            1                0.989458
               76             6              83            1                0.989552
               77             6              78            6                0.975082
               77             6              84            1                0.994462
               77             6              85            1                0.984858
               78             6              79            6                0.972086
               78             6              86            1                0.999281
               78             6              87            1                0.991022
               79             6              88            1                0.992581
               79             6              89            1                0.997712
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 2
     Number of atoms                     : 90
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 90
  NA   - Mulliken gross atomic population
  ZA   - Total nuclear charge
  QA   - Mulliken gross atomic charge
  VA   - Mayer's total valence
  BVA  - Mayer's bonded valence
  FA   - Mayer's free valence
  ATOM       NA         ZA         QA         VA         BVA        FA
  0   0     6.2177     6.0000    -0.2177     4.0330     3.7129     0.3201
  1   0     6.1439     6.0000    -0.1439     4.0085     3.6954     0.3131
  2   0     6.1325     6.0000    -0.1325     4.0368     3.7271     0.3097
  3   0     6.1530     6.0000    -0.1530     4.0256     3.7058     0.3198
  4   0     6.1114     6.0000    -0.1114     3.9636     3.6466     0.3170
  5   0     0.9169     1.0000     0.0831     0.9818     0.9305     0.0513
  6   0     0.9271     1.0000     0.0729     0.9901     0.9363     0.0538
  7   0     0.9174     1.0000     0.0826     0.9858     0.9363     0.0495
  8   0     0.9128     1.0000     0.0872     0.9826     0.9314     0.0512
  9   0     0.9150     1.0000     0.0850     0.9941     0.9472     0.0469
 10   0     0.9370     1.0000     0.0630     1.0004     0.9491     0.0513
 11   0     0.9139     1.0000     0.0861     0.9880     0.9338     0.0542
 12   0     0.9432     1.0000     0.0568     0.9939     0.9382     0.0557
 13   0     0.9212     1.0000     0.0788     0.9970     0.9457     0.0513
 14   0     0.9361     1.0000     0.0639     0.9998     0.9461     0.0537
 15   0     6.1642     6.0000    -0.1642     4.0373     3.7212     0.3161
 16   0     6.1448     6.0000    -0.1448     4.0043     3.6800     0.3243
 17   0     6.1506     6.0000    -0.1506     3.9873     3.6593     0.3280
 18   0     6.1610     6.0000    -0.1610     3.9585     3.6378     0.3207
 19   0     6.1630     6.0000    -0.1630     4.0142     3.6927     0.3215
 20   0     0.9100     1.0000     0.0900     0.9878     0.9389     0.0489
 21   0     0.9188     1.0000     0.0812     0.9866     0.9342     0.0524
 22   0     0.9402     1.0000     0.0598     0.9881     0.9310     0.0571
 23   0     0.9014     1.0000     0.0986     0.9828     0.9320     0.0508
 24   0     0.9321     1.0000     0.0679     1.0024     0.9493     0.0531
 25   0     0.9380     1.0000     0.0620     1.0215     0.9700     0.0515
 26   0     0.9420     1.0000     0.0580     0.9944     0.9377     0.0567
 27   0     0.9068     1.0000     0.0932     0.9826     0.9328     0.0498
 28   0     0.9124     1.0000     0.0876     0.9813     0.9266     0.0547
 29   0     0.9156     1.0000     0.0844     0.9917     0.9394     0.0523
 30   0     6.1809     6.0000    -0.1809     4.0154     3.6978     0.3176
 31   0     6.1407     6.0000    -0.1407     3.9955     3.6825     0.3130
 32   0     6.1299     6.0000    -0.1299     3.9767     3.6586     0.3181
 33   0     6.2171     6.0000    -0.2171     4.0068     3.6771     0.3297
 34   0     6.1603     6.0000    -0.1603     3.9894     3.6653     0.3241
 35   0     0.9237     1.0000     0.0763     0.9950     0.9434     0.0516
 36   0     0.9003     1.0000     0.0997     0.9806     0.9309     0.0497
 37   0     0.9445     1.0000     0.0555     1.0097     0.9580     0.0517
 38   0     0.9126     1.0000     0.0874     0.9863     0.9365     0.0498
 39   0     0.9171     1.0000     0.0829     0.9846     0.9327     0.0519
 40   0     0.9276     1.0000     0.0724     0.9915     0.9388     0.0527
 41   0     0.8961     1.0000     0.1039     0.9822     0.9315     0.0507
 42   0     0.9257     1.0000     0.0743     0.9857     0.9315     0.0542
 43   0     0.9149     1.0000     0.0851     0.9919     0.9403     0.0516
 44   0     0.9082     1.0000     0.0918     0.9804     0.9252     0.0552
 45   0     6.1542     6.0000    -0.1542     3.9753     3.6562     0.3191
 46   0     6.1856     6.0000    -0.1856     4.0180     3.6939     0.3241
 47   0     6.1540     6.0000    -0.1540     4.0124     3.6898     0.3226
 48   0     6.1626     6.0000    -0.1626     4.0222     3.7058     0.3164
 49   0     6.2160     6.0000    -0.2160     3.9921     3.6610     0.3311
 50   0     0.9263     1.0000     0.0737     0.9895     0.9375     0.0520
 51   0     0.9105     1.0000     0.0895     0.9815     0.9299     0.0516
 52   0     0.9154     1.0000     0.0846     0.9977     0.9471     0.0506
 53   0     0.9089     1.0000     0.0911     0.9807     0.9261     0.0546
 54   0     0.8940     1.0000     0.1060     0.9750     0.9230     0.0520
 55   0     0.9249     1.0000     0.0751     0.9875     0.9330     0.0545
 56   0     0.9136     1.0000     0.0864     0.9880     0.9363     0.0517
 57   0     0.9059     1.0000     0.0941     0.9828     0.9324     0.0504
 58   0     0.9208     1.0000     0.0792     0.9837     0.9291     0.0546
 59   0     0.9058     1.0000     0.0942     0.9829     0.9307     0.0522
 60   0     6.1069     6.0000    -0.1069     3.9838     3.6749     0.3089
 61   0     6.1874     6.0000    -0.1874     4.0103     3.6832     0.3271
 62   0     6.2373     6.0000    -0.2373     4.0056     3.6787     0.3269
 63   0     6.0937     6.0000    -0.0937     3.9675     3.6452     0.3223
 64   0     6.2001     6.0000    -0.2001     4.0561     3.7358     0.3203
 65   0     0.9019     1.0000     0.0981     0.9866     0.9365     0.0501
 66   0     0.9341     1.0000     0.0659     0.9883     0.9373     0.0510
 67   0     0.9193     1.0000     0.0807     0.9831     0.9302     0.0529
 68   0     0.9146     1.0000     0.0854     0.9846     0.9320     0.0526
 69   0     0.8948     1.0000     0.1052     0.9807     0.9278     0.0529
 70   0     0.9169     1.0000     0.0831     0.9843     0.9322     0.0521
 71   0     0.9098     1.0000     0.0902     0.9892     0.9401     0.0491
 72   0     0.9477     1.0000     0.0523     1.0069     0.9544     0.0525
 73   0     0.9179     1.0000     0.0821     0.9858     0.9324     0.0534
 74   0     0.9143     1.0000     0.0857     0.9815     0.9292     0.0523
 75   0     6.1805     6.0000    -0.1805     4.0106     3.6803     0.3303
 76   0     6.1282     6.0000    -0.1282     3.9674     3.6467     0.3207
 77   0     6.1983     6.0000    -0.1983     4.0131     3.6882     0.3249
 78   0     6.1835     6.0000    -0.1835     4.0228     3.6999     0.3229
 79   0     6.1604     6.0000    -0.1604     3.9935     3.6767     0.3168
 80   0     0.9159     1.0000     0.0841     0.9827     0.9266     0.0561
 81   0     0.9238     1.0000     0.0762     0.9888     0.9369     0.0519
 82   0     0.9039     1.0000     0.0961     0.9811     0.9310     0.0501
 83   0     0.9502     1.0000     0.0498     1.0122     0.9566     0.0556
 84   0     0.9158     1.0000     0.0842     0.9850     0.9305     0.0545
 85   0     0.9002     1.0000     0.0998     0.9781     0.9278     0.0503
 86   0     0.9082     1.0000     0.0918     0.9839     0.9331     0.0508
 87   0     0.9049     1.0000     0.0951     0.9857     0.9332     0.0525
 88   0     0.9057     1.0000     0.0943     0.9873     0.9368     0.0505
 89   0     0.9261     1.0000     0.0739     0.9925     0.9409     0.0516
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.908646
                0             6               4            6                0.909225
                0             6               5            1                0.955463
                0             6               6            1                0.951584
                1             6               2            6                0.905560
                1             6               7            1                0.960771
                1             6               8            1                0.954178
                2             6               3            6                0.913973
                2             6               9            1                0.957527
                2             6              10            1                0.974877
                3             6               4            6                0.906697
                3             6              11            1                0.940725
                3             6              12            1                0.968693
                4             6              13            1                0.946581
                4             6              14            1                0.944788
               15             6              16            6                0.912106
               15             6              19            6                0.928285
               15             6              20            1                0.948069
               15             6              21            1                0.949909
               16             6              17            6                0.889520
               16             6              22            1                0.960017
               16             6              23            1                0.947885
               17             6              18            6                0.885318
               17             6              24            1                0.952489
               17             6              25            1                0.962983
               18             6              19            6                0.896208
               18             6              26            1                0.954739
               18             6              27            1                0.948474
               19             6              28            1                0.952156
               19             6              29            1                0.947877
               30             6              31            6                0.907860
               30             6              34            6                0.913440
               30             6              35            1                0.952474
               30             6              36            1                0.946352
               31             6              32            6                0.905990
               31             6              37            1                0.957286
               31             6              38            1                0.954203
               32             6              33            6                0.893497
               32             6              39            1                0.948451
               32             6              40            1                0.961814
               33             6              34            6                0.904999
               33             6              41            1                0.946171
               33             6              42            1                0.956634
               34             6              43            1                0.953621
               34             6              44            1                0.940313
               45             6              46            6                0.908188
               45             6              49            6                0.898839
               45             6              50            1                0.953764
               45             6              51            1                0.948402
               46             6              47            6                0.912700
               46             6              52            1                0.955679
               46             6              53            1                0.939634
               47             6              48            6                0.930472
               47             6              54            1                0.934928
               47             6              55            1                0.944868
               48             6              49            6                0.898707
               48             6              56            1                0.954465
               48             6              57            1                0.951241
               49             6              58            1                0.954375
               49             6              59            1                0.946423
               60             6              61            6                0.901963
               60             6              64            6                0.919832
               60             6              65            1                0.948318
               60             6              66            1                0.959386
               61             6              62            6                0.915169
               61             6              67            1                0.950739
               61             6              68            1                0.947684
               62             6              63            6                0.887310
               62             6              69            1                0.939016
               62             6              70            1                0.960825
               63             6              64            6                0.923546
               63             6              71            1                0.946556
               63             6              72            1                0.952406
               64             6              73            1                0.952136
               64             6              74            1                0.949898
               75             6              76            6                0.899911
               75             6              79            6                0.901965
               75             6              80            1                0.946781
               75             6              81            1                0.961873
               76             6              77            6                0.909554
               76             6              82            1                0.949047
               76             6              83            1                0.947315
               77             6              78            6                0.912371
               77             6              84            1                0.950513
               77             6              85            1                0.945012
               78             6              79            6                0.908747
               78             6              86            1                0.958996
               78             6              87            1                0.949088
               79             6              88            1                0.952718
               79             6              89            1                0.957591
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 3
     Number of atoms                     : 90
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 90
  NA   - Mulliken gross atomic population
  ZA   - Total nuclear charge
  QA   - Mulliken gross atomic charge
  VA   - Mayer's total valence
  BVA  - Mayer's bonded valence
  FA   - Mayer's free valence
  ATOM       NA         ZA         QA         VA         BVA        FA
  0   0     6.2616     6.0000    -0.2616     4.0068     3.6910     0.3158
  1   0     6.1942     6.0000    -0.1942     3.9833     3.6742     0.3091
  2   0     6.2011     6.0000    -0.2011     4.0194     3.7132     0.3062
  3   0     6.1955     6.0000    -0.1955     4.0007     3.6857     0.3150
  4   0     6.1789     6.0000    -0.1789     3.9555     3.6426     0.3129
  5   0     0.8920     1.0000     0.1080     0.9792     0.9291     0.0501
  6   0     0.9000     1.0000     0.1000     0.9829     0.9304     0.0525
  7   0     0.8930     1.0000     0.1070     0.9778     0.9293     0.0485
  8   0     0.8879     1.0000     0.1121     0.9768     0.9268     0.0500
  9   0     0.8919     1.0000     0.1081     0.9855     0.9396     0.0459
 10   0     0.8964     1.0000     0.1036     0.9875     0.9379     0.0496
 11   0     0.8914     1.0000     0.1086     0.9789     0.9257     0.0532
 12   0     0.9155     1.0000     0.0845     0.9989     0.9446     0.0543
 13   0     0.8928     1.0000     0.1072     0.9870     0.9370     0.0500
 14   0     0.9037     1.0000     0.0963     0.9909     0.9387     0.0522
 15   0     6.2161     6.0000    -0.2161     4.0145     3.7025     0.3120
 16   0     6.1948     6.0000    -0.1948     3.9785     3.6585     0.3200
 17   0     6.2169     6.0000    -0.2169     3.9656     3.6416     0.3240
 18   0     6.2166     6.0000    -0.2166     3.9405     3.6242     0.3163
 19   0     6.2034     6.0000    -0.2034     3.9841     3.6672     0.3169
 20   0     0.8880     1.0000     0.1120     0.9821     0.9342     0.0479
 21   0     0.8920     1.0000     0.1080     0.9787     0.9275     0.0512
 22   0     0.9116     1.0000     0.0884     0.9884     0.9326     0.0558
 23   0     0.8816     1.0000     0.1184     0.9779     0.9281     0.0498
 24   0     0.9041     1.0000     0.0959     1.0013     0.9496     0.0517
 25   0     0.9009     1.0000     0.0991     1.0055     0.9556     0.0499
 26   0     0.9101     1.0000     0.0899     0.9869     0.9317     0.0552
 27   0     0.8828     1.0000     0.1172     0.9775     0.9288     0.0487
 28   0     0.8900     1.0000     0.1100     0.9782     0.9245     0.0537
 29   0     0.8922     1.0000     0.1078     0.9848     0.9335     0.0513
 30   0     6.2317     6.0000    -0.2317     4.0022     3.6886     0.3136
 31   0     6.2038     6.0000    -0.2038     3.9828     3.6738     0.3090
 32   0     6.1847     6.0000    -0.1847     3.9582     3.6441     0.3141
 33   0     6.2571     6.0000    -0.2571     3.9868     3.6613     0.3255
 34   0     6.2055     6.0000    -0.2055     3.9851     3.6654     0.3197
 35   0     0.8951     1.0000     0.1049     0.9850     0.9346     0.0504
 36   0     0.8785     1.0000     0.1215     0.9749     0.9262     0.0487
 37   0     0.9053     1.0000     0.0947     0.9971     0.9469     0.0502
 38   0     0.8889     1.0000     0.1111     0.9793     0.9305     0.0488
 39   0     0.8945     1.0000     0.1055     0.9794     0.9286     0.0508
 40   0     0.9004     1.0000     0.0996     0.9832     0.9316     0.0516
 41   0     0.8753     1.0000     0.1247     0.9750     0.9253     0.0497
 42   0     0.8998     1.0000     0.1002     0.9758     0.9226     0.0532
 43   0     0.8907     1.0000     0.1093     0.9827     0.9322     0.0505
 44   0     0.8874     1.0000     0.1126     0.9734     0.9191     0.0543
 45   0     6.2057     6.0000    -0.2057     3.9602     3.6452     0.3150
 46   0     6.2307     6.0000    -0.2307     4.0009     3.6812     0.3197
 47   0     6.2113     6.0000    -0.2113     4.0161     3.6979     0.3182
 48   0     6.2108     6.0000    -0.2108     4.0084     3.6964     0.3120
 49   0     6.2549     6.0000    -0.2549     3.9674     3.6405     0.3269
 50   0     0.8985     1.0000     0.1015     0.9798     0.9290     0.0508
 51   0     0.8872     1.0000     0.1128     0.9747     0.9240     0.0507
 52   0     0.8891     1.0000     0.1109     0.9866     0.9372     0.0494
 53   0     0.8886     1.0000     0.1114     0.9791     0.9256     0.0535
 54   0     0.8763     1.0000     0.1237     0.9706     0.9195     0.0511
 55   0     0.8933     1.0000     0.1067     0.9773     0.9242     0.0531
 56   0     0.8891     1.0000     0.1109     0.9778     0.9272     0.0506
 57   0     0.8827     1.0000     0.1173     0.9761     0.9267     0.0494
 58   0     0.8956     1.0000     0.1044     0.9746     0.9211     0.0535
 59   0     0.8834     1.0000     0.1166     0.9755     0.9243     0.0512
 60   0     6.1700     6.0000    -0.1700     3.9748     3.6697     0.3051
 61   0     6.2317     6.0000    -0.2317     3.9910     3.6681     0.3229
 62   0     6.2768     6.0000    -0.2768     3.9940     3.6717     0.3223
 63   0     6.1587     6.0000    -0.1587     3.9706     3.6523     0.3183
 64   0     6.2422     6.0000    -0.2422     4.0259     3.7099     0.3160
 65   0     0.8788     1.0000     0.1212     0.9780     0.9290     0.0490
 66   0     0.9046     1.0000     0.0954     0.9772     0.9273     0.0499
 67   0     0.8945     1.0000     0.1055     0.9757     0.9240     0.0517
 68   0     0.8913     1.0000     0.1087     0.9766     0.9250     0.0516
 69   0     0.8713     1.0000     0.1287     0.9749     0.9232     0.0517
 70   0     0.8890     1.0000     0.1110     0.9741     0.9232     0.0509
 71   0     0.8868     1.0000     0.1132     0.9827     0.9347     0.0480
 72   0     0.9208     1.0000     0.0792     0.9988     0.9475     0.0513
 73   0     0.8910     1.0000     0.1090     0.9765     0.9243     0.0522
 74   0     0.8908     1.0000     0.1092     0.9740     0.9227     0.0513
 75   0     6.2254     6.0000    -0.2254     3.9838     3.6578     0.3260
 76   0     6.1856     6.0000    -0.1856     3.9592     3.6427     0.3165
 77   0     6.2454     6.0000    -0.2454     4.0075     3.6873     0.3202
 78   0     6.2321     6.0000    -0.2321     4.0106     3.6917     0.3189
 79   0     6.2148     6.0000    -0.2148     3.9851     3.6724     0.3127
 80   0     0.8914     1.0000     0.1086     0.9833     0.9286     0.0547
 81   0     0.8989     1.0000     0.1011     0.9792     0.9283     0.0509
 82   0     0.8810     1.0000     0.1190     0.9748     0.9257     0.0491
 83   0     0.9216     1.0000     0.0784     1.0070     0.9528     0.0542
 84   0     0.8890     1.0000     0.1110     0.9751     0.9218     0.0533
 85   0     0.8782     1.0000     0.1218     0.9736     0.9244     0.0492
 86   0     0.8835     1.0000     0.1165     0.9740     0.9242     0.0498
 87   0     0.8804     1.0000     0.1196     0.9758     0.9243     0.0515
 88   0     0.8824     1.0000     0.1176     0.9777     0.9283     0.0494
 89   0     0.8991     1.0000     0.1009     0.9866     0.9361     0.0505
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.916943
                0             6               4            6                0.914585
                0             6               5            1                0.944790
                0             6               6            1                0.935017
                1             6               2            6                0.910864
                1             6               7            1                0.946885
                1             6               8            1                0.940292
                2             6               3            6                0.920253
                2             6               9            1                0.943128
                2             6              10            1                0.959755
                3             6               4            6                0.920874
                3             6              11            1                0.919630
                3             6              12            1                0.954755
                4             6              13            1                0.932896
                4             6              14            1                0.932420
               15             6              16            6                0.922745
               15             6              19            6                0.931540
               15             6              20            1                0.936153
               15             6              21            1                0.936530
               16             6              17            6                0.893773
               16             6              22            1                0.943354
               16             6              23            1                0.933422
               17             6              18            6                0.892168
               17             6              24            1                0.939354
               17             6              25            1                0.948293
               18             6              19            6                0.904756
               18             6              26            1                0.941584
               18             6              27            1                0.938024
               19             6              28            1                0.936923
               19             6              29            1                0.934318
               30             6              31            6                0.909801
               30             6              34            6                0.929351
               30             6              35            1                0.938903
               30             6              36            1                0.935517
               31             6              32            6                0.917866
               31             6              37            1                0.944869
               31             6              38            1                0.942290
               32             6              33            6                0.901020
               32             6              39            1                0.933904
               32             6              40            1                0.950075
               33             6              34            6                0.915029
               33             6              41            1                0.933593
               33             6              42            1                0.942109
               34             6              43            1                0.941446
               34             6              44            1                0.924848
               45             6              46            6                0.916576
               45             6              49            6                0.906446
               45             6              50            1                0.940944
               45             6              51            1                0.936221
               46             6              47            6                0.922649
               46             6              52            1                0.942582
               46             6              53            1                0.926678
               47             6              48            6                0.949604
               47             6              54            1                0.921920
               47             6              55            1                0.931809
               48             6              49            6                0.903171
               48             6              56            1                0.937495
               48             6              57            1                0.938601
               49             6              58            1                0.939429
               49             6              59            1                0.933942
               60             6              61            6                0.912125
               60             6              64            6                0.930298
               60             6              65            1                0.933054
               60             6              66            1                0.946040
               61             6              62            6                0.920144
               61             6              67            1                0.937552
               61             6              68            1                0.934087
               62             6              63            6                0.898617
               62             6              69            1                0.926830
               62             6              70            1                0.948242
               63             6              64            6                0.929565
               63             6              71            1                0.939035
               63             6              72            1                0.939792
               64             6              73            1                0.936101
               64             6              74            1                0.934885
               75             6              76            6                0.905898
               75             6              79            6                0.913901
               75             6              80            1                0.926737
               75             6              81            1                0.946304
               76             6              77            6                0.916165
               76             6              82            1                0.940311
               76             6              83            1                0.935645
               77             6              78            6                0.926037
               77             6              84            1                0.935153
               77             6              85            1                0.934766
               78             6              79            6                0.917983
               78             6              86            1                0.944176
               78             6              87            1                0.932234
               79             6              88            1                0.936140
               79             6              89            1                0.945171
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2088911580
        Correlation Energy:       -5.0685467604
        Total MP2 Energy:      -1176.2774379184
# -----------------------------------------------------------
$ SCF_Electric_Properties
   description: The SCF Calculated Electric Properties
   geom. index: 1
   prop. index: 1
       Filename                          : MyMol.scfp 
       Do Dipole Moment Calculation      : true 
       Do Quadrupole Moment Calculation  : false 
       Do Polarizability Calculation     : false 
** Dipole moment part of electric properties **
        Magnitude of dipole moment (Debye) :        0.2698202604
        Electronic Contribution:
                  0    
      0       0.515379
      1       0.532772
      2       0.109215
        Nuclear Contribution:
                  0    
      0      -0.482003
      1      -0.441836
      2      -0.152634
        Total Dipole moment:
                  0    
      0       0.033375
      1       0.090936
      2      -0.043420
# -----------------------------------------------------------
$ MP2_Electric_Properties
   description: The MP2 Calculated Electric Properties
   geom. index: 1
   prop. index: 1
       Filename                          : MyMol.pmp2ur 
       Do Dipole Moment Calculation      : true 
       Do Quadrupole Moment Calculation  : false 
       Do Polarizability Calculation     : false 
** Dipole moment part of electric properties **
        Magnitude of dipole moment (Debye) :        0.2701994685
        Electronic Contribution:
                  0    
      0       0.515247
      1       0.532528
      2       0.108247
        Nuclear Contribution:
                  0    
      0      -0.482003
      1      -0.441836
      2      -0.152634
        Total Dipole moment:
                  0    
      0       0.033243
      1       0.090691
      2      -0.044387
# -----------------------------------------------------------
$ MP2_Electric_Properties
   description: The MP2 Calculated Electric Properties
   geom. index: 1
   prop. index: 2
       Filename                          : MyMol.pmp2re 
       Do Dipole Moment Calculation      : true 
       Do Quadrupole Moment Calculation  : false 
       Do Polarizability Calculation     : false 
** Dipole moment part of electric properties **
        Magnitude of dipole moment (Debye) :        0.2283819786
        Electronic Contribution:
                  0    
      0       0.501798
      1       0.517632
      2       0.108630
        Nuclear Contribution:
                  0    
      0      -0.482003
      1      -0.441836
      2      -0.152634
        Total Dipole moment:
                  0    
      0       0.019795
      1       0.075795
      2      -0.044005
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     21.780000000000   20.600000000000   15.910000000000
               1 C     20.690000000000   20.800000000000   16.930000000000
               2 C     21.320000000000   21.040000000000   18.280000000000
               3 C     22.820000000000   20.880000000000   18.080000000000
               4 C     23.060000000000   20.310000000000   16.720000000000
               5 H     21.900000000000   21.450000000000   15.300000000000
               6 H     21.640000000000   19.750000000000   15.210000000000
               7 H     20.110000000000   19.930000000000   17.040000000000
               8 H     20.030000000000   21.590000000000   16.590000000000
               9 H     20.860000000000   20.390000000000   18.920000000000
              10 H     21.090000000000   22.030000000000   18.590000000000
              11 H     23.310000000000   20.270000000000   18.900000000000
              12 H     23.330000000000   21.850000000000   18.160000000000
              13 H     23.200000000000   19.230000000000   16.680000000000
              14 H     23.920000000000   20.820000000000   16.300000000000
              15 C     25.160000000000   26.320000000000   16.050000000000
              16 C     25.690000000000   25.280000000000   17.000000000000
              17 C     25.180000000000   23.860000000000   16.530000000000
              18 C     24.410000000000   24.150000000000   15.220000000000
              19 C     24.180000000000   25.630000000000   15.090000000000
              20 H     25.970000000000   26.740000000000   15.520000000000
              21 H     24.620000000000   27.050000000000   16.670000000000
              22 H     25.150000000000   25.420000000000   17.980000000000
              23 H     26.780000000000   25.330000000000   17.120000000000
              24 H     24.650000000000   23.300000000000   17.290000000000
              25 H     26.060000000000   23.280000000000   16.330000000000
              26 H     23.370000000000   23.740000000000   15.320000000000
              27 H     24.860000000000   23.770000000000   14.340000000000
              28 H     23.090000000000   25.710000000000   15.400000000000
              29 H     24.400000000000   25.900000000000   14.040000000000
              30 C     24.590000000000   16.210000000000   16.080000000000
              31 C     25.380000000000   15.820000000000   14.810000000000
              32 C     26.130000000000   14.580000000000   15.160000000000
              33 C     25.330000000000   13.820000000000   16.280000000000
              34 C     24.350000000000   14.900000000000   16.860000000000
              35 H     23.750000000000   16.660000000000   15.630000000000
              36 H     25.070000000000   16.950000000000   16.690000000000
              37 H     26.010000000000   16.610000000000   14.560000000000
              38 H     24.880000000000   15.540000000000   13.920000000000
              39 H     27.150000000000   14.810000000000   15.480000000000
              40 H     26.080000000000   13.870000000000   14.330000000000
              41 H     25.860000000000   13.250000000000   17.040000000000
              42 H     24.820000000000   13.020000000000   15.710000000000
              43 H     24.600000000000   14.980000000000   17.910000000000
              44 H     23.270000000000   14.500000000000   16.770000000000
              45 C     22.240000000000   18.030000000000   11.410000000000
              46 C     23.150000000000   18.530000000000   12.530000000000
              47 C     23.370000000000   20.060000000000   12.200000000000
              48 C     22.140000000000   20.540000000000   11.560000000000
              49 C     21.480000000000   19.260000000000   10.870000000000
              50 H     21.490000000000   17.380000000000   11.820000000000
              51 H     22.750000000000   17.490000000000   10.600000000000
              52 H     24.050000000000   17.980000000000   12.440000000000
              53 H     22.670000000000   18.300000000000   13.530000000000
              54 H     24.330000000000   20.290000000000   11.660000000000
              55 H     23.370000000000   20.640000000000   13.130000000000
              56 H     22.240000000000   21.200000000000   10.710000000000
              57 H     21.450000000000   21.020000000000   12.230000000000
              58 H     21.670000000000   19.240000000000    9.770000000000
              59 H     20.390000000000   19.130000000000   10.960000000000
              60 C     29.140000000000   20.790000000000   14.130000000000
              61 C     28.040000000000   21.400000000000   15.040000000000
              62 C     26.760000000000   20.520000000000   14.960000000000
              63 C     27.190000000000   19.290000000000   14.080000000000
              64 C     28.770000000000   19.390000000000   13.930000000000
              65 H     30.180000000000   20.950000000000   14.380000000000
              66 H     29.040000000000   21.290000000000   13.210000000000
              67 H     27.830000000000   22.420000000000   14.690000000000
              68 H     28.380000000000   21.450000000000   16.090000000000
              69 H     25.860000000000   21.080000000000   14.670000000000
              70 H     26.570000000000   20.060000000000   15.920000000000
              71 H     26.730000000000   19.310000000000   13.140000000000
              72 H     26.900000000000   18.420000000000   14.660000000000
              73 H     29.120000000000   19.060000000000   12.930000000000
              74 H     29.340000000000   18.740000000000   14.610000000000
              75 C     22.350000000000   25.880000000000   19.210000000000
              76 C     21.690000000000   24.460000000000   19.090000000000
              77 C     20.470000000000   24.640000000000   18.190000000000
              78 C     20.230000000000   26.170000000000   18.050000000000
              79 C     21.600000000000   26.870000000000   18.330000000000
              80 H     23.500000000000   25.900000000000   19.070000000000
              81 H     22.160000000000   26.160000000000   20.230000000000
              82 H     21.430000000000   24.260000000000   20.120000000000
              83 H     22.330000000000   23.770000000000   18.560000000000
              84 H     19.600000000000   24.220000000000   18.770000000000
              85 H     20.590000000000   24.100000000000   17.270000000000
              86 H     19.490000000000   26.530000000000   18.730000000000
              87 H     19.730000000000   26.500000000000   17.120000000000
              88 H     21.570000000000   27.870000000000   18.740000000000
              89 H     22.190000000000   27.010000000000   17.470000000000
