-------------------------------------------------------------
----------------------- !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:    -1171.1988142316
# -----------------------------------------------------------
$ 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     6.1697     6.0000    -0.1697     3.8906     3.8906     0.0000
  1   0     6.0732     6.0000    -0.0732     3.8851     3.8851     0.0000
  2   0     6.2031     6.0000    -0.2031     3.8955     3.8955     0.0000
  3   0     6.1467     6.0000    -0.1467     3.8922     3.8922     0.0000
  4   0     6.2070     6.0000    -0.2070     3.8892     3.8892     0.0000
  5   0     0.9150     1.0000     0.0850     0.9757     0.9757     0.0000
  6   0     0.9436     1.0000     0.0564     0.9888     0.9888     0.0000
  7   0     0.9541     1.0000     0.0459     0.9973     0.9973     0.0000
  8   0     0.9079     1.0000     0.0921     0.9787     0.9787     0.0000
  9   0     0.9053     1.0000     0.0947     0.9756     0.9756    -0.0000
 10   0     0.9262     1.0000     0.0738     0.9708     0.9708    -0.0000
 11   0     0.9105     1.0000     0.0895     0.9730     0.9730     0.0000
 12   0     0.9101     1.0000     0.0899     0.9761     0.9761     0.0000
 13   0     0.9079     1.0000     0.0921     0.9723     0.9723     0.0000
 14   0     0.9229     1.0000     0.0771     0.9722     0.9722     0.0000
 15   0     6.1463     6.0000    -0.1463     3.8959     3.8959     0.0000
 16   0     6.1458     6.0000    -0.1458     3.9047     3.9047     0.0000
 17   0     6.1748     6.0000    -0.1748     3.8615     3.8615    -0.0000
 18   0     6.1439     6.0000    -0.1439     3.9024     3.9024    -0.0000
 19   0     6.1457     6.0000    -0.1457     3.9194     3.9194     0.0000
 20   0     0.9177     1.0000     0.0823     0.9741     0.9741    -0.0000
 21   0     0.9450     1.0000     0.0550     0.9850     0.9850     0.0000
 22   0     0.9208     1.0000     0.0792     0.9691     0.9691     0.0000
 23   0     0.9129     1.0000     0.0871     0.9762     0.9762    -0.0000
 24   0     0.9350     1.0000     0.0650     0.9747     0.9747     0.0000
 25   0     0.9152     1.0000     0.0848     0.9737     0.9737    -0.0000
 26   0     0.9536     1.0000     0.0464     0.9925     0.9925    -0.0000
 27   0     0.9043     1.0000     0.0957     0.9768     0.9768    -0.0000
 28   0     0.9175     1.0000     0.0825     0.9646     0.9646     0.0000
 29   0     0.9210     1.0000     0.0790     0.9764     0.9764     0.0000
 30   0     6.1643     6.0000    -0.1643     3.9088     3.9088     0.0000
 31   0     6.1529     6.0000    -0.1529     3.8706     3.8706     0.0000
 32   0     6.2063     6.0000    -0.2063     3.8859     3.8859     0.0000
 33   0     6.1304     6.0000    -0.1304     3.8947     3.8947    -0.0000
 34   0     6.1523     6.0000    -0.1523     3.9019     3.9019     0.0000
 35   0     0.9240     1.0000     0.0760     0.9735     0.9735     0.0000
 36   0     0.9183     1.0000     0.0817     0.9772     0.9772     0.0000
 37   0     0.9095     1.0000     0.0905     0.9739     0.9739     0.0000
 38   0     0.9265     1.0000     0.0735     0.9755     0.9755     0.0000
 39   0     0.9188     1.0000     0.0812     0.9753     0.9753    -0.0000
 40   0     0.9164     1.0000     0.0836     0.9697     0.9697    -0.0000
 41   0     0.9160     1.0000     0.0840     0.9778     0.9778    -0.0000
 42   0     0.9235     1.0000     0.0765     0.9755     0.9755    -0.0000
 43   0     0.9176     1.0000     0.0824     0.9770     0.9770    -0.0000
 44   0     0.9206     1.0000     0.0794     0.9787     0.9787    -0.0000
 45   0     6.1607     6.0000    -0.1607     3.8833     3.8833    -0.0000
 46   0     6.1579     6.0000    -0.1579     3.9042     3.9042    -0.0000
 47   0     6.1126     6.0000    -0.1126     3.8802     3.8802     0.0000
 48   0     6.1921     6.0000    -0.1921     3.8917     3.8917    -0.0000
 49   0     6.1675     6.0000    -0.1675     3.8640     3.8640    -0.0000
 50   0     0.9139     1.0000     0.0861     0.9756     0.9756    -0.0000
 51   0     0.9259     1.0000     0.0741     0.9774     0.9774    -0.0000
 52   0     0.9110     1.0000     0.0890     0.9736     0.9736    -0.0000
 53   0     0.9323     1.0000     0.0677     0.9766     0.9766    -0.0000
 54   0     0.9229     1.0000     0.0771     0.9785     0.9785     0.0000
 55   0     0.9148     1.0000     0.0852     0.9752     0.9752    -0.0000
 56   0     0.9131     1.0000     0.0869     0.9782     0.9782    -0.0000
 57   0     0.9135     1.0000     0.0865     0.9743     0.9743    -0.0000
 58   0     0.9337     1.0000     0.0663     0.9889     0.9889    -0.0000
 59   0     0.9213     1.0000     0.0787     0.9733     0.9733    -0.0000
 60   0     6.1517     6.0000    -0.1517     3.8957     3.8957    -0.0000
 61   0     6.1728     6.0000    -0.1728     3.8774     3.8774    -0.0000
 62   0     6.1439     6.0000    -0.1439     3.8587     3.8587     0.0000
 63   0     6.2213     6.0000    -0.2213     3.8995     3.8995    -0.0000
 64   0     6.1127     6.0000    -0.1127     3.8890     3.8890     0.0000
 65   0     0.9255     1.0000     0.0745     0.9814     0.9814     0.0000
 66   0     0.9130     1.0000     0.0870     0.9717     0.9717    -0.0000
 67   0     0.9153     1.0000     0.0847     0.9769     0.9769    -0.0000
 68   0     0.9313     1.0000     0.0687     0.9768     0.9768     0.0000
 69   0     0.9058     1.0000     0.0942     0.9785     0.9785     0.0000
 70   0     0.9344     1.0000     0.0656     0.9908     0.9908    -0.0000
 71   0     0.9082     1.0000     0.0918     0.9714     0.9714     0.0000
 72   0     0.9192     1.0000     0.0808     0.9755     0.9755     0.0000
 73   0     0.9292     1.0000     0.0708     0.9819     0.9819     0.0000
 74   0     0.9126     1.0000     0.0874     0.9719     0.9719     0.0000
 75   0     6.1035     6.0000    -0.1035     3.8572     3.8572    -0.0000
 76   0     6.1703     6.0000    -0.1703     3.9040     3.9040     0.0000
 77   0     6.1565     6.0000    -0.1565     3.9210     3.9210    -0.0000
 78   0     6.1337     6.0000    -0.1337     3.8875     3.8875    -0.0000
 79   0     6.2276     6.0000    -0.2276     3.8938     3.8938    -0.0000
 80   0     0.9203     1.0000     0.0797     0.9732     0.9732    -0.0000
 81   0     0.9583     1.0000     0.0417     1.0098     1.0098    -0.0000
 82   0     0.9252     1.0000     0.0748     0.9892     0.9892     0.0000
 83   0     0.9181     1.0000     0.0819     0.9788     0.9788     0.0000
 84   0     0.9245     1.0000     0.0755     0.9844     0.9844    -0.0000
 85   0     0.9114     1.0000     0.0886     0.9708     0.9708    -0.0000
 86   0     0.9028     1.0000     0.0972     0.9733     0.9733     0.0000
 87   0     0.9242     1.0000     0.0758     0.9832     0.9832    -0.0000
 88   0     0.9177     1.0000     0.0823     0.9685     0.9685    -0.0000
 89   0     0.9154     1.0000     0.0846     0.9689     0.9689     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                0.969013
                0             6               4            6                0.964777
                0             6               5            1                0.990466
                0             6               6            1                0.993753
                1             6               2            6                0.961270
                1             6               7            1                1.002805
                1             6               8            1                0.990188
                2             6               3            6                0.976342
                2             6               9            1                0.993850
                2             6              10            1                0.997197
                3             6               4            6                0.973020
                3             6              11            1                0.984933
                3             6              12            1                0.988095
                4             6              13            1                0.994989
                4             6              14            1                0.995354
               15             6              16            6                0.978827
               15             6              19            6                0.973221
               15             6              20            1                0.987687
               15             6              21            1                0.999034
               16             6              17            6                0.955646
               16             6              22            1                1.000847
               16             6              23            1                0.992793
               17             6              18            6                0.963595
               17             6              24            1                0.993253
               17             6              25            1                0.990779
               18             6              19            6                0.981545
               18             6              26            1                1.011247
               18             6              27            1                0.983501
               19             6              28            1                0.994034
               19             6              29            1                0.988738
               30             6              31            6                0.975084
               30             6              34            6                0.978564
               30             6              35            1                0.996231
               30             6              36            1                0.992306
               31             6              32            6                0.962957
               31             6              37            1                0.978933
               31             6              38            1                0.993915
               32             6              33            6                0.962289
               32             6              39            1                0.992621
               32             6              40            1                0.994420
               33             6              34            6                0.980390
               33             6              41            1                0.993144
               33             6              42            1                0.993853
               34             6              43            1                0.986669
               34             6              44            1                0.989904
               45             6              46            6                0.965118
               45             6              49            6                0.961711
               45             6              50            1                0.991361
               45             6              51            1                0.996558
               46             6              47            6                0.975457
               46             6              52            1                0.991896
               46             6              53            1                1.002381
               47             6              48            6                0.963231
               47             6              54            1                0.985603
               47             6              55            1                0.993736
               48             6              49            6                0.959997
               48             6              56            1                0.994311
               48             6              57            1                0.990338
               49             6              58            1                0.999359
               49             6              59            1                0.989387
               60             6              61            6                0.961628
               60             6              64            6                0.984480
               60             6              65            1                0.990093
               60             6              66            1                0.987698
               61             6              62            6                0.956974
               61             6              67            1                0.995131
               61             6              68            1                0.998754
               62             6              63            6                0.967023
               62             6              69            1                0.981615
               62             6              70            1                0.990221
               63             6              64            6                0.966654
               63             6              71            1                0.990057
               63             6              72            1                0.992332
               64             6              73            1                0.996520
               64             6              74            1                0.985691
               75             6              76            6                0.967884
               75             6              79            6                0.962904
               75             6              80            1                0.987385
               75             6              81            1                0.995164
               76             6              77            6                0.974171
               76             6              82            1                0.998989
               76             6              83            1                0.985249
               77             6              78            6                0.990925
               77             6              84            1                0.995245
               77             6              85            1                0.981950
               78             6              79            6                0.961544
               78             6              86            1                0.981629
               78             6              87            1                0.996303
               79             6              88            1                0.993602
               79             6              89            1                0.997017
# -----------------------------------------------------------
$ 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     6.1764     6.0000    -0.1764     3.9991     3.6777     0.3214
  1   0     6.0819     6.0000    -0.0819     3.9896     3.6765     0.3131
  2   0     6.2104     6.0000    -0.2104     4.0065     3.6803     0.3262
  3   0     6.1550     6.0000    -0.1550     4.0025     3.6782     0.3243
  4   0     6.2149     6.0000    -0.2149     4.0026     3.6794     0.3232
  5   0     0.9109     1.0000     0.0891     0.9849     0.9316     0.0533
  6   0     0.9401     1.0000     0.0599     0.9999     0.9460     0.0539
  7   0     0.9503     1.0000     0.0497     1.0080     0.9561     0.0519
  8   0     0.9037     1.0000     0.0963     0.9873     0.9392     0.0481
  9   0     0.9014     1.0000     0.0986     0.9845     0.9343     0.0502
 10   0     0.9224     1.0000     0.0776     0.9809     0.9227     0.0582
 11   0     0.9069     1.0000     0.0931     0.9823     0.9279     0.0544
 12   0     0.9061     1.0000     0.0939     0.9850     0.9326     0.0524
 13   0     0.9040     1.0000     0.0960     0.9814     0.9313     0.0501
 14   0     0.9189     1.0000     0.0811     0.9817     0.9269     0.0548
 15   0     6.1546     6.0000    -0.1546     4.0050     3.6849     0.3201
 16   0     6.1538     6.0000    -0.1538     4.0120     3.6988     0.3132
 17   0     6.1833     6.0000    -0.1833     3.9741     3.6555     0.3186
 18   0     6.1504     6.0000    -0.1504     4.0081     3.6911     0.3170
 19   0     6.1550     6.0000    -0.1550     4.0294     3.7033     0.3261
 20   0     0.9138     1.0000     0.0862     0.9838     0.9320     0.0518
 21   0     0.9407     1.0000     0.0593     0.9954     0.9398     0.0556
 22   0     0.9169     1.0000     0.0831     0.9788     0.9268     0.0520
 23   0     0.9089     1.0000     0.0911     0.9853     0.9364     0.0489
 24   0     0.9307     1.0000     0.0693     0.9846     0.9331     0.0515
 25   0     0.9112     1.0000     0.0888     0.9833     0.9325     0.0508
 26   0     0.9499     1.0000     0.0501     1.0030     0.9498     0.0532
 27   0     0.9004     1.0000     0.0996     0.9857     0.9361     0.0496
 28   0     0.9134     1.0000     0.0866     0.9738     0.9196     0.0542
 29   0     0.9169     1.0000     0.0831     0.9858     0.9339     0.0519
 30   0     6.1722     6.0000    -0.1722     4.0178     3.6993     0.3185
 31   0     6.1609     6.0000    -0.1609     3.9806     3.6605     0.3201
 32   0     6.2144     6.0000    -0.2144     3.9988     3.6721     0.3267
 33   0     6.1381     6.0000    -0.1381     3.9995     3.6909     0.3086
 34   0     6.1602     6.0000    -0.1602     4.0095     3.6884     0.3211
 35   0     0.9201     1.0000     0.0799     0.9833     0.9319     0.0514
 36   0     0.9144     1.0000     0.0856     0.9868     0.9351     0.0517
 37   0     0.9055     1.0000     0.0945     0.9827     0.9322     0.0505
 38   0     0.9224     1.0000     0.0776     0.9848     0.9317     0.0531
 39   0     0.9148     1.0000     0.0852     0.9847     0.9315     0.0532
 40   0     0.9124     1.0000     0.0876     0.9790     0.9234     0.0556
 41   0     0.9120     1.0000     0.0880     0.9869     0.9358     0.0511
 42   0     0.9196     1.0000     0.0804     0.9850     0.9336     0.0514
 43   0     0.9139     1.0000     0.0861     0.9865     0.9344     0.0521
 44   0     0.9167     1.0000     0.0833     0.9880     0.9339     0.0541
 45   0     6.1684     6.0000    -0.1684     3.9919     3.6735     0.3184
 46   0     6.1652     6.0000    -0.1652     4.0099     3.6977     0.3122
 47   0     6.1211     6.0000    -0.1211     3.9871     3.6736     0.3135
 48   0     6.1988     6.0000    -0.1988     4.0017     3.6797     0.3220
 49   0     6.1748     6.0000    -0.1748     3.9739     3.6472     0.3267
 50   0     0.9101     1.0000     0.0899     0.9848     0.9337     0.0511
 51   0     0.9221     1.0000     0.0779     0.9872     0.9354     0.0518
 52   0     0.9072     1.0000     0.0928     0.9827     0.9335     0.0492
 53   0     0.9285     1.0000     0.0715     0.9868     0.9345     0.0523
 54   0     0.9191     1.0000     0.0809     0.9881     0.9349     0.0532
 55   0     0.9108     1.0000     0.0892     0.9843     0.9331     0.0512
 56   0     0.9093     1.0000     0.0907     0.9877     0.9388     0.0489
 57   0     0.9098     1.0000     0.0902     0.9837     0.9310     0.0527
 58   0     0.9299     1.0000     0.0701     0.9989     0.9476     0.0513
 59   0     0.9175     1.0000     0.0825     0.9830     0.9268     0.0562
 60   0     6.1600     6.0000    -0.1600     4.0044     3.6835     0.3209
 61   0     6.1814     6.0000    -0.1814     3.9896     3.6645     0.3251
 62   0     6.1505     6.0000    -0.1505     3.9676     3.6375     0.3301
 63   0     6.2290     6.0000    -0.2290     4.0121     3.6848     0.3273
 64   0     6.1205     6.0000    -0.1205     3.9940     3.6859     0.3081
 65   0     0.9215     1.0000     0.0785     0.9909     0.9386     0.0523
 66   0     0.9089     1.0000     0.0911     0.9808     0.9284     0.0524
 67   0     0.9112     1.0000     0.0888     0.9860     0.9353     0.0507
 68   0     0.9272     1.0000     0.0728     0.9866     0.9327     0.0539
 69   0     0.9020     1.0000     0.0980     0.9875     0.9346     0.0529
 70   0     0.9309     1.0000     0.0691     1.0015     0.9471     0.0544
 71   0     0.9044     1.0000     0.0956     0.9806     0.9277     0.0529
 72   0     0.9154     1.0000     0.0846     0.9851     0.9319     0.0532
 73   0     0.9251     1.0000     0.0749     0.9914     0.9403     0.0511
 74   0     0.9087     1.0000     0.0913     0.9811     0.9306     0.0505
 75   0     6.1106     6.0000    -0.1106     3.9639     3.6464     0.3175
 76   0     6.1777     6.0000    -0.1777     4.0137     3.6868     0.3269
 77   0     6.1639     6.0000    -0.1639     4.0280     3.7107     0.3173
 78   0     6.1411     6.0000    -0.1411     3.9949     3.6701     0.3248
 79   0     6.2357     6.0000    -0.2357     4.0078     3.6748     0.3330
 80   0     0.9164     1.0000     0.0836     0.9828     0.9277     0.0551
 81   0     0.9548     1.0000     0.0452     1.0209     0.9672     0.0537
 82   0     0.9218     1.0000     0.0782     0.9993     0.9471     0.0522
 83   0     0.9143     1.0000     0.0857     0.9882     0.9329     0.0553
 84   0     0.9205     1.0000     0.0795     0.9937     0.9427     0.0510
 85   0     0.9075     1.0000     0.0925     0.9801     0.9275     0.0526
 86   0     0.8991     1.0000     0.1009     0.9823     0.9305     0.0518
 87   0     0.9204     1.0000     0.0796     0.9928     0.9392     0.0536
 88   0     0.9141     1.0000     0.0859     0.9783     0.9219     0.0564
 89   0     0.9116     1.0000     0.0884     0.9783     0.9241     0.0542
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.905436
                0             6               4            6                0.903311
                0             6               5            1                0.947399
                0             6               6            1                0.952182
                1             6               2            6                0.898357
                1             6               7            1                0.962646
                1             6               8            1                0.951825
                2             6               3            6                0.913546
                2             6               9            1                0.954008
                2             6              10            1                0.950400
                3             6               4            6                0.911358
                3             6              11            1                0.941445
                3             6              12            1                0.946091
                4             6              13            1                0.955185
                4             6              14            1                0.951389
               15             6              16            6                0.917394
               15             6              19            6                0.911672
               15             6              20            1                0.946913
               15             6              21            1                0.954885
               16             6              17            6                0.894246
               16             6              22            1                0.959338
               16             6              23            1                0.954388
               17             6              18            6                0.903088
               17             6              24            1                0.952311
               17             6              25            1                0.950617
               18             6              19            6                0.915405
               18             6              26            1                0.969088
               18             6              27            1                0.944321
               19             6              28            1                0.949989
               19             6              29            1                0.947663
               30             6              31            6                0.914866
               30             6              34            6                0.913438
               30             6              35            1                0.955673
               30             6              36            1                0.951612
               31             6              32            6                0.899214
               31             6              37            1                0.938862
               31             6              38            1                0.951091
               32             6              33            6                0.903232
               32             6              39            1                0.950033
               32             6              40            1                0.949154
               33             6              34            6                0.920187
               33             6              41            1                0.952673
               33             6              42            1                0.953112
               34             6              43            1                0.945652
               34             6              44            1                0.946606
               45             6              46            6                0.901624
               45             6              49            6                0.899931
               45             6              50            1                0.950777
               45             6              51            1                0.955715
               46             6              47            6                0.915916
               46             6              52            1                0.953148
               46             6              53            1                0.961155
               47             6              48            6                0.902484
               47             6              54            1                0.943647
               47             6              55            1                0.952843
               48             6              49            6                0.893173
               48             6              56            1                0.956090
               48             6              57            1                0.948082
               49             6              58            1                0.959209
               49             6              59            1                0.944175
               60             6              61            6                0.898479
               60             6              64            6                0.922537
               60             6              65            1                0.948687
               60             6              66            1                0.945792
               61             6              62            6                0.893170
               61             6              67            1                0.954742
               61             6              68            1                0.955854
               62             6              63            6                0.898362
               62             6              69            1                0.939114
               62             6              70            1                0.947848
               63             6              64            6                0.908916
               63             6              71            1                0.947799
               63             6              72            1                0.949963
               64             6              73            1                0.956215
               64             6              74            1                0.945801
               75             6              76            6                0.903216
               75             6              79            6                0.904728
               75             6              80            1                0.943096
               75             6              81            1                0.954383
               76             6              77            6                0.911118
               76             6              82            1                0.958042
               76             6              83            1                0.941083
               77             6              78            6                0.929362
               77             6              84            1                0.954934
               77             6              85            1                0.940081
               78             6              79            6                0.892999
               78             6              86            1                0.940292
               78             6              87            1                0.953486
               79             6              88            1                0.948259
               79             6              89            1                0.953453
# -----------------------------------------------------------
$ 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     6.2177     6.0000    -0.2177     3.9735     3.6567     0.3168
  1   0     6.1622     6.0000    -0.1622     3.9871     3.6775     0.3096
  2   0     6.2435     6.0000    -0.2435     3.9810     3.6596     0.3214
  3   0     6.2061     6.0000    -0.2061     3.9948     3.6748     0.3200
  4   0     6.2635     6.0000    -0.2635     3.9964     3.6779     0.3185
  5   0     0.8868     1.0000     0.1132     0.9773     0.9251     0.0522
  6   0     0.9144     1.0000     0.0856     0.9982     0.9457     0.0525
  7   0     0.9149     1.0000     0.0851     0.9992     0.9486     0.0506
  8   0     0.8814     1.0000     0.1186     0.9802     0.9331     0.0471
  9   0     0.8784     1.0000     0.1216     0.9777     0.9286     0.0491
 10   0     0.8986     1.0000     0.1014     0.9729     0.9157     0.0572
 11   0     0.8836     1.0000     0.1164     0.9756     0.9222     0.0534
 12   0     0.8827     1.0000     0.1173     0.9754     0.9240     0.0514
 13   0     0.8787     1.0000     0.1213     0.9752     0.9264     0.0488
 14   0     0.8925     1.0000     0.1075     0.9718     0.9181     0.0537
 15   0     6.2229     6.0000    -0.2229     3.9941     3.6782     0.3159
 16   0     6.2036     6.0000    -0.2036     3.9797     3.6704     0.3093
 17   0     6.2366     6.0000    -0.2366     3.9549     3.6406     0.3143
 18   0     6.2033     6.0000    -0.2033     3.9805     3.6676     0.3129
 19   0     6.2030     6.0000    -0.2030     4.0024     3.6806     0.3218
 20   0     0.8881     1.0000     0.1119     0.9795     0.9289     0.0506
 21   0     0.9065     1.0000     0.0935     0.9880     0.9340     0.0540
 22   0     0.8902     1.0000     0.1098     0.9733     0.9225     0.0508
 23   0     0.8837     1.0000     0.1163     0.9781     0.9304     0.0477
 24   0     0.9007     1.0000     0.0993     0.9792     0.9291     0.0501
 25   0     0.8850     1.0000     0.1150     0.9761     0.9265     0.0496
 26   0     0.9135     1.0000     0.0865     0.9931     0.9414     0.0517
 27   0     0.8793     1.0000     0.1207     0.9791     0.9305     0.0486
 28   0     0.8887     1.0000     0.1113     0.9714     0.9184     0.0530
 29   0     0.8941     1.0000     0.1059     0.9799     0.9291     0.0508
 30   0     6.2241     6.0000    -0.2241     3.9985     3.6841     0.3144
 31   0     6.2168     6.0000    -0.2168     3.9723     3.6563     0.3160
 32   0     6.2542     6.0000    -0.2542     3.9757     3.6537     0.3220
 33   0     6.1943     6.0000    -0.1943     3.9883     3.6838     0.3045
 34   0     6.2057     6.0000    -0.2057     3.9881     3.6711     0.3170
 35   0     0.8934     1.0000     0.1066     0.9752     0.9249     0.0503
 36   0     0.8884     1.0000     0.1116     0.9776     0.9270     0.0506
 37   0     0.8829     1.0000     0.1171     0.9759     0.9264     0.0495
 38   0     0.8945     1.0000     0.1055     0.9769     0.9251     0.0518
 39   0     0.8908     1.0000     0.1092     0.9770     0.9249     0.0521
 40   0     0.8865     1.0000     0.1135     0.9723     0.9179     0.0544
 41   0     0.8871     1.0000     0.1129     0.9790     0.9290     0.0500
 42   0     0.8943     1.0000     0.1057     0.9773     0.9269     0.0504
 43   0     0.8918     1.0000     0.1082     0.9798     0.9287     0.0511
 44   0     0.8931     1.0000     0.1069     0.9801     0.9270     0.0531
 45   0     6.2177     6.0000    -0.2177     3.9700     3.6555     0.3145
 46   0     6.2160     6.0000    -0.2160     3.9826     3.6742     0.3084
 47   0     6.1819     6.0000    -0.1819     3.9828     3.6733     0.3095
 48   0     6.2463     6.0000    -0.2463     3.9857     3.6678     0.3179
 49   0     6.2288     6.0000    -0.2288     3.9566     3.6343     0.3223
 50   0     0.8854     1.0000     0.1146     0.9768     0.9267     0.0501
 51   0     0.8958     1.0000     0.1042     0.9797     0.9290     0.0507
 52   0     0.8824     1.0000     0.1176     0.9759     0.9278     0.0481
 53   0     0.9005     1.0000     0.0995     0.9774     0.9263     0.0511
 54   0     0.8938     1.0000     0.1062     0.9801     0.9280     0.0521
 55   0     0.8872     1.0000     0.1128     0.9776     0.9274     0.0502
 56   0     0.8828     1.0000     0.1172     0.9811     0.9334     0.0477
 57   0     0.8846     1.0000     0.1154     0.9746     0.9230     0.0516
 58   0     0.8974     1.0000     0.1026     0.9904     0.9404     0.0500
 59   0     0.8927     1.0000     0.1073     0.9746     0.9194     0.0552
 60   0     6.2065     6.0000    -0.2065     3.9702     3.6535     0.3167
 61   0     6.2375     6.0000    -0.2375     3.9731     3.6524     0.3207
 62   0     6.1996     6.0000    -0.1996     3.9529     3.6272     0.3257
 63   0     6.2672     6.0000    -0.2672     3.9897     3.6669     0.3228
 64   0     6.1814     6.0000    -0.1814     3.9765     3.6724     0.3041
 65   0     0.8956     1.0000     0.1044     0.9847     0.9335     0.0512
 66   0     0.8882     1.0000     0.1118     0.9764     0.9249     0.0515
 67   0     0.8870     1.0000     0.1130     0.9784     0.9288     0.0496
 68   0     0.8970     1.0000     0.1030     0.9797     0.9272     0.0525
 69   0     0.8802     1.0000     0.1198     0.9802     0.9283     0.0519
 70   0     0.9042     1.0000     0.0958     0.9980     0.9448     0.0532
 71   0     0.8818     1.0000     0.1182     0.9743     0.9225     0.0518
 72   0     0.8897     1.0000     0.1103     0.9776     0.9256     0.0520
 73   0     0.8965     1.0000     0.1035     0.9821     0.9322     0.0499
 74   0     0.8847     1.0000     0.1153     0.9766     0.9272     0.0494
 75   0     6.1787     6.0000    -0.1787     3.9658     3.6525     0.3133
 76   0     6.2262     6.0000    -0.2262     3.9977     3.6753     0.3224
 77   0     6.2199     6.0000    -0.2199     4.0231     3.7100     0.3131
 78   0     6.1808     6.0000    -0.1808     3.9777     3.6573     0.3204
 79   0     6.2737     6.0000    -0.2737     3.9910     3.6627     0.3283
 80   0     0.8920     1.0000     0.1080     0.9730     0.9189     0.0541
 81   0     0.9187     1.0000     0.0813     1.0111     0.9589     0.0522
 82   0     0.8919     1.0000     0.1081     0.9935     0.9426     0.0509
 83   0     0.8916     1.0000     0.1084     0.9780     0.9237     0.0543
 84   0     0.8896     1.0000     0.1104     0.9843     0.9347     0.0496
 85   0     0.8866     1.0000     0.1134     0.9736     0.9220     0.0516
 86   0     0.8825     1.0000     0.1175     0.9787     0.9278     0.0509
 87   0     0.8991     1.0000     0.1009     0.9841     0.9314     0.0527
 88   0     0.8900     1.0000     0.1100     0.9709     0.9155     0.0554
 89   0     0.8866     1.0000     0.1134     0.9695     0.9164     0.0531
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.909839
                0             6               4            6                0.914412
                0             6               5            1                0.931827
                0             6               6            1                0.941533
                1             6               2            6                0.908953
                1             6               7            1                0.953480
                1             6               8            1                0.940030
                2             6               3            6                0.924754
                2             6               9            1                0.942346
                2             6              10            1                0.929509
                3             6               4            6                0.922888
                3             6              11            1                0.927673
                3             6              12            1                0.930345
                4             6              13            1                0.941077
                4             6              14            1                0.935007
               15             6              16            6                0.920331
               15             6              19            6                0.919685
               15             6              20            1                0.934198
               15             6              21            1                0.941025
               16             6              17            6                0.900062
               16             6              22            1                0.947504
               16             6              23            1                0.940845
               17             6              18            6                0.906109
               17             6              24            1                0.941015
               17             6              25            1                0.936841
               18             6              19            6                0.918900
               18             6              26            1                0.957854
               18             6              27            1                0.931000
               19             6              28            1                0.937464
               19             6              29            1                0.933688
               30             6              31            6                0.923227
               30             6              34            6                0.920782
               30             6              35            1                0.945323
               30             6              36            1                0.935633
               31             6              32            6                0.905059
               31             6              37            1                0.928561
               31             6              38            1                0.939111
               32             6              33            6                0.915791
               32             6              39            1                0.936437
               32             6              40            1                0.934389
               33             6              34            6                0.928658
               33             6              41            1                0.938488
               33             6              42            1                0.940455
               34             6              43            1                0.931656
               34             6              44            1                0.931751
               45             6              46            6                0.903240
               45             6              49            6                0.910271
               45             6              50            1                0.939015
               45             6              51            1                0.943905
               46             6              47            6                0.925153
               46             6              52            1                0.941879
               46             6              53            1                0.948258
               47             6              48            6                0.914377
               47             6              54            1                0.929928
               47             6              55            1                0.942292
               48             6              49            6                0.893919
               48             6              56            1                0.947617
               48             6              57            1                0.933848
               49             6              58            1                0.950730
               49             6              59            1                0.928628
               60             6              61            6                0.902424
               60             6              64            6                0.924067
               60             6              65            1                0.936799
               60             6              66            1                0.933211
               61             6              62            6                0.902900
               61             6              67            1                0.941372
               61             6              68            1                0.943626
               62             6              63            6                0.899909
               62             6              69            1                0.927693
               62             6              70            1                0.937009
               63             6              64            6                0.922052
               63             6              71            1                0.935938
               63             6              72            1                0.936226
               64             6              73            1                0.943651
               64             6              74            1                0.933842
               75             6              76            6                0.914201
               75             6              79            6                0.923641
               75             6              80            1                0.927173
               75             6              81            1                0.941033
               76             6              77            6                0.919524
               76             6              82            1                0.946971
               76             6              83            1                0.922530
               77             6              78            6                0.943277
               77             6              84            1                0.943906
               77             6              85            1                0.926996
               78             6              79            6                0.897579
               78             6              86            1                0.930115
               78             6              87            1                0.938549
               79             6              88            1                0.931320
               79             6              89            1                0.939423
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1988142316
        Correlation Energy:       -5.0648013299
        Total MP2 Energy:      -1176.2636155615
# -----------------------------------------------------------
$ 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) :        0.3803473436
        Electronic Contribution:
                  0    
      0       0.122966
      1      -0.074627
      2       0.494164
        Nuclear Contribution:
                  0    
      0      -0.160668
      1       0.016067
      2      -0.626604
        Total Dipole moment:
                  0    
      0      -0.037702
      1      -0.058561
      2      -0.132440
# -----------------------------------------------------------
$ 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) :        0.3827340476
        Electronic Contribution:
                  0    
      0       0.122950
      1      -0.074328
      2       0.492977
        Nuclear Contribution:
                  0    
      0      -0.160668
      1       0.016067
      2      -0.626604
        Total Dipole moment:
                  0    
      0      -0.037717
      1      -0.058261
      2      -0.133627
# -----------------------------------------------------------
$ 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) :        0.4091845379
        Electronic Contribution:
                  0    
      0       0.119960
      1      -0.068274
      2       0.479865
        Nuclear Contribution:
                  0    
      0      -0.160668
      1       0.016067
      2      -0.626604
        Total Dipole moment:
                  0    
      0      -0.040708
      1      -0.052207
      2      -0.146740
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     25.180000000000   18.450000000000   20.000000000000
               1 C     26.110000000000   17.240000000000   19.730000000000
               2 C     25.250000000000   16.270000000000   18.930000000000
               3 C     23.770000000000   16.730000000000   18.910000000000
               4 C     23.860000000000   18.210000000000   19.290000000000
               5 H     25.620000000000   19.390000000000   19.580000000000
               6 H     25.040000000000   18.520000000000   21.060000000000
               7 H     26.290000000000   16.710000000000   20.620000000000
               8 H     26.980000000000   17.530000000000   19.200000000000
               9 H     25.380000000000   15.240000000000   19.200000000000
              10 H     25.730000000000   16.370000000000   17.870000000000
              11 H     23.090000000000   16.120000000000   19.600000000000
              12 H     23.300000000000   16.620000000000   17.910000000000
              13 H     23.010000000000   18.530000000000   19.820000000000
              14 H     23.820000000000   18.880000000000   18.380000000000
              15 C     24.220000000000   21.060000000000   22.980000000000
              16 C     25.030000000000   21.970000000000   22.080000000000
              17 C     24.220000000000   22.390000000000   20.860000000000
              18 C     22.960000000000   21.560000000000   20.880000000000
              19 C     23.000000000000   20.680000000000   22.180000000000
              20 H     23.950000000000   21.520000000000   23.920000000000
              21 H     24.860000000000   20.160000000000   23.230000000000
              22 H     25.890000000000   21.420000000000   21.730000000000
              23 H     25.430000000000   22.840000000000   22.490000000000
              24 H     24.800000000000   22.260000000000   19.970000000000
              25 H     24.000000000000   23.440000000000   20.830000000000
              26 H     23.050000000000   20.820000000000   20.140000000000
              27 H     22.000000000000   22.000000000000   20.690000000000
              28 H     23.080000000000   19.590000000000   21.900000000000
              29 H     22.110000000000   20.920000000000   22.760000000000
              30 C     25.070000000000   23.510000000000   16.080000000000
              31 C     25.080000000000   23.410000000000   17.570000000000
              32 C     24.120000000000   24.560000000000   17.970000000000
              33 C     23.690000000000   25.370000000000   16.800000000000
              34 C     24.520000000000   24.920000000000   15.640000000000
              35 H     24.430000000000   22.760000000000   15.670000000000
              36 H     26.020000000000   23.290000000000   15.600000000000
              37 H     26.110000000000   23.470000000000   17.930000000000
              38 H     24.570000000000   22.460000000000   17.810000000000
              39 H     24.640000000000   25.210000000000   18.700000000000
              40 H     23.220000000000   24.060000000000   18.480000000000
              41 H     23.790000000000   26.440000000000   17.000000000000
              42 H     22.640000000000   25.160000000000   16.640000000000
              43 H     25.320000000000   25.660000000000   15.470000000000
              44 H     23.890000000000   24.760000000000   14.710000000000
              45 C     20.930000000000   24.970000000000   24.720000000000
              46 C     20.150000000000   24.750000000000   26.060000000000
              47 C     21.040000000000   24.130000000000   27.070000000000
              48 C     22.410000000000   23.850000000000   26.430000000000
              49 C     22.360000000000   24.510000000000   24.970000000000
              50 H     20.860000000000   26.000000000000   24.370000000000
              51 H     20.560000000000   24.350000000000   23.920000000000
              52 H     19.210000000000   24.310000000000   25.860000000000
              53 H     19.920000000000   25.710000000000   26.480000000000
              54 H     20.520000000000   23.200000000000   27.380000000000
              55 H     21.120000000000   24.820000000000   27.920000000000
              56 H     22.700000000000   22.870000000000   26.280000000000
              57 H     23.260000000000   24.300000000000   26.970000000000
              58 H     22.710000000000   23.790000000000   24.290000000000
              59 H     23.030000000000   25.430000000000   24.790000000000
              60 C     26.580000000000   14.840000000000   23.300000000000
              61 C     25.470000000000   15.880000000000   23.430000000000
              62 C     26.020000000000   17.140000000000   24.150000000000
              63 C     27.580000000000   16.740000000000   24.430000000000
              64 C     27.890000000000   15.510000000000   23.700000000000
              65 H     26.600000000000   14.590000000000   22.240000000000
              66 H     26.360000000000   13.990000000000   24.000000000000
              67 H     24.720000000000   15.340000000000   23.970000000000
              68 H     25.050000000000   16.140000000000   22.440000000000
              69 H     25.410000000000   17.280000000000   25.080000000000
              70 H     25.930000000000   17.970000000000   23.440000000000
              71 H     27.800000000000   16.630000000000   25.520000000000
              72 H     28.210000000000   17.570000000000   24.070000000000
              73 H     28.370000000000   14.870000000000   24.410000000000
              74 H     28.560000000000   15.700000000000   22.870000000000
              75 C     25.870000000000   22.240000000000   27.430000000000
              76 C     25.990000000000   20.770000000000   26.850000000000
              77 C     27.500000000000   20.470000000000   26.820000000000
              78 C     28.210000000000   21.810000000000   26.750000000000
              79 C     27.150000000000   22.930000000000   27.180000000000
              80 H     25.660000000000   22.280000000000   28.540000000000
              81 H     25.000000000000   22.750000000000   27.100000000000
              82 H     25.550000000000   20.690000000000   25.880000000000
              83 H     25.440000000000   19.940000000000   27.410000000000
              84 H     27.640000000000   19.900000000000   25.930000000000
              85 H     27.880000000000   19.890000000000   27.700000000000
              86 H     28.540000000000   22.180000000000   25.760000000000
              87 H     28.890000000000   21.870000000000   27.620000000000
              88 H     27.200000000000   23.750000000000   26.370000000000
              89 H     27.500000000000   23.500000000000   28.080000000000
