-------------------------------------------------------------
----------------------- !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:    -1171.2182633924
# -----------------------------------------------------------
$ 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     6.1608     6.0000    -0.1608     3.8599     3.8599     0.0000
  1   0     6.1730     6.0000    -0.1730     3.9130     3.9130     0.0000
  2   0     6.1390     6.0000    -0.1390     3.9039     3.9039    -0.0000
  3   0     6.1763     6.0000    -0.1763     3.9372     3.9372    -0.0000
  4   0     6.1452     6.0000    -0.1452     3.9250     3.9250     0.0000
  5   0     0.9355     1.0000     0.0645     0.9734     0.9734     0.0000
  6   0     0.9135     1.0000     0.0865     0.9759     0.9759     0.0000
  7   0     0.9305     1.0000     0.0695     0.9727     0.9727     0.0000
  8   0     0.9120     1.0000     0.0880     0.9769     0.9769     0.0000
  9   0     0.9206     1.0000     0.0794     0.9752     0.9752     0.0000
 10   0     0.9158     1.0000     0.0842     0.9760     0.9760    -0.0000
 11   0     0.9178     1.0000     0.0822     0.9767     0.9767     0.0000
 12   0     0.8991     1.0000     0.1009     0.9732     0.9732    -0.0000
 13   0     0.9225     1.0000     0.0775     0.9734     0.9734     0.0000
 14   0     0.9391     1.0000     0.0609     0.9816     0.9816     0.0000
 15   0     6.1616     6.0000    -0.1616     3.9251     3.9251    -0.0000
 16   0     6.1434     6.0000    -0.1434     3.9146     3.9146    -0.0000
 17   0     6.1265     6.0000    -0.1265     3.8606     3.8606    -0.0000
 18   0     6.2065     6.0000    -0.2065     3.8992     3.8992    -0.0000
 19   0     6.1637     6.0000    -0.1637     3.9023     3.9023    -0.0000
 20   0     0.9254     1.0000     0.0746     0.9739     0.9739    -0.0000
 21   0     0.9198     1.0000     0.0802     0.9788     0.9788    -0.0000
 22   0     0.9226     1.0000     0.0774     0.9768     0.9768    -0.0000
 23   0     0.9306     1.0000     0.0694     0.9778     0.9778    -0.0000
 24   0     0.9399     1.0000     0.0601     0.9904     0.9904    -0.0000
 25   0     0.8919     1.0000     0.1081     0.9724     0.9724     0.0000
 26   0     0.9225     1.0000     0.0775     0.9792     0.9792    -0.0000
 27   0     0.9107     1.0000     0.0893     0.9750     0.9750    -0.0000
 28   0     0.9144     1.0000     0.0856     0.9748     0.9748    -0.0000
 29   0     0.9216     1.0000     0.0784     0.9746     0.9746     0.0000
 30   0     6.1097     6.0000    -0.1097     3.8832     3.8832    -0.0000
 31   0     6.2254     6.0000    -0.2254     3.8759     3.8759     0.0000
 32   0     6.1317     6.0000    -0.1317     3.8798     3.8798     0.0000
 33   0     6.2065     6.0000    -0.2065     3.9223     3.9223    -0.0000
 34   0     6.1154     6.0000    -0.1154     3.9368     3.9368    -0.0000
 35   0     0.9618     1.0000     0.0382     1.0065     1.0065    -0.0000
 36   0     0.9197     1.0000     0.0803     0.9784     0.9784    -0.0000
 37   0     0.9073     1.0000     0.0927     0.9673     0.9673     0.0000
 38   0     0.9190     1.0000     0.0810     0.9697     0.9697     0.0000
 39   0     0.9222     1.0000     0.0778     0.9772     0.9772     0.0000
 40   0     0.9123     1.0000     0.0877     0.9791     0.9791     0.0000
 41   0     0.9026     1.0000     0.0974     0.9677     0.9677    -0.0000
 42   0     0.9425     1.0000     0.0575     0.9876     0.9876    -0.0000
 43   0     0.9011     1.0000     0.0989     0.9721     0.9721     0.0000
 44   0     0.9238     1.0000     0.0762     0.9822     0.9822    -0.0000
 45   0     6.1172     6.0000    -0.1172     3.8949     3.8949     0.0000
 46   0     6.1561     6.0000    -0.1561     3.9068     3.9068    -0.0000
 47   0     6.1534     6.0000    -0.1534     3.9158     3.9158    -0.0000
 48   0     6.1329     6.0000    -0.1329     3.8818     3.8818     0.0000
 49   0     6.2134     6.0000    -0.2134     3.9054     3.9054    -0.0000
 50   0     0.9255     1.0000     0.0745     0.9816     0.9816    -0.0000
 51   0     0.9201     1.0000     0.0799     0.9798     0.9798    -0.0000
 52   0     0.9145     1.0000     0.0855     0.9783     0.9783    -0.0000
 53   0     0.9293     1.0000     0.0707     0.9778     0.9778    -0.0000
 54   0     0.9225     1.0000     0.0775     0.9798     0.9798    -0.0000
 55   0     0.9220     1.0000     0.0780     0.9776     0.9776    -0.0000
 56   0     0.9251     1.0000     0.0749     0.9802     0.9802     0.0000
 57   0     0.9168     1.0000     0.0832     0.9782     0.9782     0.0000
 58   0     0.9204     1.0000     0.0796     0.9710     0.9710     0.0000
 59   0     0.9308     1.0000     0.0692     0.9830     0.9830     0.0000
 60   0     6.1217     6.0000    -0.1217     3.8858     3.8858    -0.0000
 61   0     6.1908     6.0000    -0.1908     3.8809     3.8809    -0.0000
 62   0     6.2045     6.0000    -0.2045     3.8978     3.8978     0.0000
 63   0     6.1129     6.0000    -0.1129     3.8548     3.8548    -0.0000
 64   0     6.1994     6.0000    -0.1994     3.9300     3.9300    -0.0000
 65   0     0.9183     1.0000     0.0817     0.9763     0.9763    -0.0000
 66   0     0.9154     1.0000     0.0846     0.9768     0.9768    -0.0000
 67   0     0.9215     1.0000     0.0785     0.9793     0.9793    -0.0000
 68   0     0.9119     1.0000     0.0881     0.9748     0.9748    -0.0000
 69   0     0.9171     1.0000     0.0829     0.9752     0.9752    -0.0000
 70   0     0.9191     1.0000     0.0809     0.9754     0.9754     0.0000
 71   0     0.9153     1.0000     0.0847     0.9775     0.9775    -0.0000
 72   0     0.9216     1.0000     0.0784     0.9853     0.9853    -0.0000
 73   0     0.9068     1.0000     0.0932     0.9764     0.9764    -0.0000
 74   0     0.9192     1.0000     0.0808     0.9719     0.9719    -0.0000
 75   0     6.1397     6.0000    -0.1397     3.8746     3.8746     0.0000
 76   0     6.1548     6.0000    -0.1548     3.8669     3.8669     0.0000
 77   0     6.1834     6.0000    -0.1834     3.9119     3.9119     0.0000
 78   0     6.1145     6.0000    -0.1145     3.8874     3.8874     0.0000
 79   0     6.1896     6.0000    -0.1896     3.9163     3.9163    -0.0000
 80   0     0.9168     1.0000     0.0832     0.9856     0.9856    -0.0000
 81   0     0.9257     1.0000     0.0743     0.9785     0.9785     0.0000
 82   0     0.9209     1.0000     0.0791     0.9758     0.9758     0.0000
 83   0     0.9298     1.0000     0.0702     0.9852     0.9852     0.0000
 84   0     0.9198     1.0000     0.0802     0.9747     0.9747     0.0000
 85   0     0.9220     1.0000     0.0780     0.9736     0.9736     0.0000
 86   0     0.9270     1.0000     0.0730     0.9823     0.9823     0.0000
 87   0     0.9195     1.0000     0.0805     0.9761     0.9761     0.0000
 88   0     0.9196     1.0000     0.0804     0.9728     0.9728     0.0000
 89   0     0.9184     1.0000     0.0816     0.9746     0.9746    -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                0.963839
                0             6               4            6                0.971420
                0             6               5            1                0.989919
                0             6               6            1                0.988053
                1             6               2            6                0.982429
                1             6               7            1                0.992036
                1             6               8            1                0.986701
                2             6               3            6                0.982204
                2             6               9            1                0.992739
                2             6              10            1                0.983370
                3             6               4            6                0.990680
                3             6              11            1                0.994801
                3             6              12            1                0.980352
                4             6              13            1                0.988934
                4             6              14            1                0.993375
               15             6              16            6                0.989116
               15             6              19            6                0.978221
               15             6              20            1                0.987479
               15             6              21            1                0.994484
               16             6              17            6                0.969885
               16             6              22            1                0.992579
               16             6              23            1                0.995678
               17             6              18            6                0.957724
               17             6              24            1                0.999144
               17             6              25            1                0.976994
               18             6              19            6                0.972900
               18             6              26            1                0.999915
               18             6              27            1                0.987988
               19             6              28            1                0.997946
               19             6              29            1                0.993185
               30             6              31            6                0.956477
               30             6              34            6                0.984207
               30             6              35            1                1.006156
               30             6              36            1                0.989990
               31             6              32            6                0.959294
               31             6              37            1                0.989292
               31             6              38            1                1.004974
               32             6              33            6                0.977656
               32             6              39            1                0.993032
               32             6              40            1                0.991157
               33             6              34            6                0.974224
               33             6              41            1                0.992111
               33             6              42            1                0.999552
               34             6              43            1                0.982517
               34             6              44            1                1.002626
               45             6              46            6                0.976050
               45             6              49            6                0.971077
               45             6              50            1                0.992215
               45             6              51            1                0.992076
               46             6              47            6                0.975028
               46             6              52            1                0.987177
               46             6              53            1                0.997080
               47             6              48            6                0.976084
               47             6              54            1                0.991309
               47             6              55            1                0.994196
               48             6              49            6                0.960954
               48             6              56            1                0.995170
               48             6              57            1                0.992612
               49             6              58            1                0.992190
               49             6              59            1                0.997423
               60             6              61            6                0.953606
               60             6              64            6                0.984499
               60             6              65            1                0.997270
               60             6              66            1                0.993544
               61             6              62            6                0.971047
               61             6              67            1                1.004919
               61             6              68            1                0.993197
               62             6              63            6                0.953675
               62             6              69            1                0.990746
               62             6              70            1                0.992558
               63             6              64            6                0.969582
               63             6              71            1                0.990790
               63             6              72            1                1.000843
               64             6              73            1                0.992716
               64             6              74            1                0.993291
               75             6              76            6                0.960968
               75             6              79            6                0.972483
               75             6              80            1                0.987745
               75             6              81            1                0.988485
               76             6              77            6                0.965527
               76             6              82            1                0.988910
               76             6              83            1                1.000327
               77             6              78            6                0.973855
               77             6              84            1                0.996512
               77             6              85            1                0.992401
               78             6              79            6                0.971401
               78             6              86            1                0.996503
               78             6              87            1                0.985828
               79             6              88            1                0.997532
               79             6              89            1                0.993841
# -----------------------------------------------------------
$ 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     6.1681     6.0000    -0.1681     3.9677     3.6523     0.3154
  1   0     6.1811     6.0000    -0.1811     4.0221     3.7021     0.3200
  2   0     6.1467     6.0000    -0.1467     4.0095     3.6942     0.3153
  3   0     6.1840     6.0000    -0.1840     4.0451     3.7242     0.3209
  4   0     6.1534     6.0000    -0.1534     4.0324     3.7115     0.3209
  5   0     0.9320     1.0000     0.0680     0.9844     0.9271     0.0573
  6   0     0.9094     1.0000     0.0906     0.9848     0.9341     0.0507
  7   0     0.9266     1.0000     0.0734     0.9827     0.9267     0.0560
  8   0     0.9081     1.0000     0.0919     0.9859     0.9349     0.0510
  9   0     0.9166     1.0000     0.0834     0.9844     0.9329     0.0515
 10   0     0.9121     1.0000     0.0879     0.9854     0.9328     0.0526
 11   0     0.9138     1.0000     0.0862     0.9859     0.9339     0.0520
 12   0     0.8954     1.0000     0.1046     0.9820     0.9321     0.0499
 13   0     0.9184     1.0000     0.0816     0.9829     0.9298     0.0531
 14   0     0.9353     1.0000     0.0647     0.9924     0.9374     0.0550
 15   0     6.1694     6.0000    -0.1694     4.0312     3.7165     0.3147
 16   0     6.1518     6.0000    -0.1518     4.0229     3.7077     0.3152
 17   0     6.1339     6.0000    -0.1339     3.9696     3.6549     0.3147
 18   0     6.2143     6.0000    -0.2143     4.0118     3.6890     0.3228
 19   0     6.1718     6.0000    -0.1718     4.0108     3.6891     0.3217
 20   0     0.9216     1.0000     0.0784     0.9834     0.9275     0.0559
 21   0     0.9159     1.0000     0.0841     0.9880     0.9404     0.0476
 22   0     0.9186     1.0000     0.0814     0.9864     0.9357     0.0507
 23   0     0.9267     1.0000     0.0733     0.9878     0.9362     0.0516
 24   0     0.9359     1.0000     0.0641     1.0005     0.9514     0.0491
 25   0     0.8877     1.0000     0.1123     0.9808     0.9329     0.0479
 26   0     0.9184     1.0000     0.0816     0.9885     0.9383     0.0502
 27   0     0.9070     1.0000     0.0930     0.9844     0.9323     0.0521
 28   0     0.9106     1.0000     0.0894     0.9840     0.9320     0.0520
 29   0     0.9178     1.0000     0.0822     0.9841     0.9300     0.0541
 30   0     6.1168     6.0000    -0.1168     3.9873     3.6699     0.3174
 31   0     6.2339     6.0000    -0.2339     3.9922     3.6615     0.3307
 32   0     6.1390     6.0000    -0.1390     3.9869     3.6689     0.3180
 33   0     6.2140     6.0000    -0.2140     4.0348     3.7047     0.3301
 34   0     6.1242     6.0000    -0.1242     4.0445     3.7253     0.3192
 35   0     0.9583     1.0000     0.0417     1.0176     0.9616     0.0560
 36   0     0.9157     1.0000     0.0843     0.9877     0.9329     0.0548
 37   0     0.9035     1.0000     0.0965     0.9765     0.9224     0.0541
 38   0     0.9151     1.0000     0.0849     0.9793     0.9249     0.0544
 39   0     0.9182     1.0000     0.0818     0.9867     0.9325     0.0542
 40   0     0.9081     1.0000     0.0919     0.9878     0.9401     0.0477
 41   0     0.8985     1.0000     0.1015     0.9766     0.9237     0.0529
 42   0     0.9387     1.0000     0.0613     0.9983     0.9450     0.0533
 43   0     0.8971     1.0000     0.1029     0.9809     0.9309     0.0500
 44   0     0.9201     1.0000     0.0799     0.9918     0.9398     0.0520
 45   0     6.1249     6.0000    -0.1249     4.0001     3.6890     0.3111
 46   0     6.1640     6.0000    -0.1640     4.0144     3.6970     0.3174
 47   0     6.1612     6.0000    -0.1612     4.0222     3.7072     0.3150
 48   0     6.1405     6.0000    -0.1405     3.9883     3.6725     0.3158
 49   0     6.2206     6.0000    -0.2206     4.0161     3.6937     0.3224
 50   0     0.9215     1.0000     0.0785     0.9910     0.9401     0.0509
 51   0     0.9163     1.0000     0.0837     0.9893     0.9390     0.0503
 52   0     0.9106     1.0000     0.0894     0.9875     0.9363     0.0512
 53   0     0.9254     1.0000     0.0746     0.9877     0.9356     0.0521
 54   0     0.9187     1.0000     0.0813     0.9893     0.9406     0.0487
 55   0     0.9181     1.0000     0.0819     0.9870     0.9357     0.0513
 56   0     0.9212     1.0000     0.0788     0.9897     0.9364     0.0533
 57   0     0.9130     1.0000     0.0870     0.9877     0.9366     0.0511
 58   0     0.9170     1.0000     0.0830     0.9814     0.9251     0.0563
 59   0     0.9268     1.0000     0.0732     0.9927     0.9406     0.0521
 60   0     6.1295     6.0000    -0.1295     3.9935     3.6762     0.3173
 61   0     6.1980     6.0000    -0.1980     3.9927     3.6760     0.3167
 62   0     6.2118     6.0000    -0.2118     4.0111     3.6797     0.3314
 63   0     6.1205     6.0000    -0.1205     3.9624     3.6405     0.3219
 64   0     6.2070     6.0000    -0.2070     4.0394     3.7126     0.3268
 65   0     0.9145     1.0000     0.0855     0.9858     0.9332     0.0526
 66   0     0.9116     1.0000     0.0884     0.9862     0.9346     0.0516
 67   0     0.9175     1.0000     0.0825     0.9887     0.9395     0.0492
 68   0     0.9082     1.0000     0.0918     0.9841     0.9353     0.0488
 69   0     0.9132     1.0000     0.0868     0.9845     0.9323     0.0522
 70   0     0.9152     1.0000     0.0848     0.9849     0.9313     0.0536
 71   0     0.9116     1.0000     0.0884     0.9871     0.9351     0.0520
 72   0     0.9180     1.0000     0.0820     0.9950     0.9446     0.0504
 73   0     0.9031     1.0000     0.0969     0.9854     0.9343     0.0511
 74   0     0.9155     1.0000     0.0845     0.9813     0.9261     0.0552
 75   0     6.1466     6.0000    -0.1466     3.9807     3.6672     0.3135
 76   0     6.1625     6.0000    -0.1625     3.9762     3.6555     0.3207
 77   0     6.1914     6.0000    -0.1914     4.0202     3.7019     0.3183
 78   0     6.1218     6.0000    -0.1218     3.9901     3.6834     0.3067
 79   0     6.1980     6.0000    -0.1980     4.0273     3.7039     0.3234
 80   0     0.9131     1.0000     0.0869     0.9949     0.9450     0.0499
 81   0     0.9218     1.0000     0.0782     0.9881     0.9361     0.0520
 82   0     0.9169     1.0000     0.0831     0.9853     0.9322     0.0531
 83   0     0.9261     1.0000     0.0739     0.9953     0.9415     0.0538
 84   0     0.9159     1.0000     0.0841     0.9843     0.9338     0.0505
 85   0     0.9181     1.0000     0.0819     0.9831     0.9293     0.0538
 86   0     0.9231     1.0000     0.0769     0.9918     0.9425     0.0493
 87   0     0.9157     1.0000     0.0843     0.9855     0.9339     0.0516
 88   0     0.9157     1.0000     0.0843     0.9823     0.9287     0.0536
 89   0     0.9146     1.0000     0.0854     0.9842     0.9312     0.0530
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.903747
                0             6               4            6                0.912144
                0             6               5            1                0.945092
                0             6               6            1                0.947909
                1             6               2            6                0.920455
                1             6               7            1                0.947517
                1             6               8            1                0.946384
                2             6               3            6                0.920110
                2             6               9            1                0.951675
                2             6              10            1                0.941950
                3             6               4            6                0.924994
                3             6              11            1                0.953008
                3             6              12            1                0.940870
                4             6              13            1                0.946666
                4             6              14            1                0.950459
               15             6              16            6                0.928291
               15             6              19            6                0.915837
               15             6              20            1                0.942639
               15             6              21            1                0.957456
               16             6              17            6                0.906918
               16             6              22            1                0.952964
               16             6              23            1                0.955122
               17             6              18            6                0.895123
               17             6              24            1                0.961187
               17             6              25            1                0.938859
               18             6              19            6                0.909902
               18             6              26            1                0.960134
               18             6              27            1                0.946605
               19             6              28            1                0.956387
               19             6              29            1                0.949736
               30             6              31            6                0.894882
               30             6              34            6                0.923635
               30             6              35            1                0.962446
               30             6              36            1                0.945903
               31             6              32            6                0.896478
               31             6              37            1                0.945758
               31             6              38            1                0.961009
               32             6              33            6                0.913551
               32             6              39            1                0.949544
               32             6              40            1                0.953446
               33             6              34            6                0.908746
               33             6              41            1                0.948884
               33             6              42            1                0.957994
               34             6              43            1                0.942694
               34             6              44            1                0.961132
               45             6              46            6                0.914794
               45             6              49            6                0.909660
               45             6              50            1                0.952097
               45             6              51            1                0.952594
               46             6              47            6                0.911445
               46             6              52            1                0.946810
               46             6              53            1                0.955921
               47             6              48            6                0.913109
               47             6              54            1                0.953418
               47             6              55            1                0.953543
               48             6              49            6                0.900463
               48             6              56            1                0.952523
               48             6              57            1                0.952351
               49             6              58            1                0.947526
               49             6              59            1                0.956202
               60             6              61            6                0.892507
               60             6              64            6                0.921767
               60             6              65            1                0.955266
               60             6              66            1                0.952664
               61             6              62            6                0.907380
               61             6              67            1                0.965845
               61             6              68            1                0.954840
               62             6              63            6                0.887745
               62             6              69            1                0.948967
               62             6              70            1                0.949494
               63             6              64            6                0.904178
               63             6              71            1                0.949688
               63             6              72            1                0.961009
               64             6              73            1                0.952082
               64             6              74            1                0.948723
               75             6              76            6                0.900464
               75             6              79            6                0.909301
               75             6              80            1                0.948812
               75             6              81            1                0.947431
               76             6              77            6                0.902231
               76             6              82            1                0.946744
               76             6              83            1                0.957652
               77             6              78            6                0.913450
               77             6              84            1                0.956850
               77             6              85            1                0.949380
               78             6              79            6                0.910710
               78             6              86            1                0.957837
               78             6              87            1                0.945015
               79             6              88            1                0.954541
               79             6              89            1                0.951676
# -----------------------------------------------------------
$ 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     6.2146     6.0000    -0.2146     3.9560     3.6454     0.3106
  1   0     6.2295     6.0000    -0.2295     3.9993     3.6837     0.3156
  2   0     6.1993     6.0000    -0.1993     3.9983     3.6871     0.3112
  3   0     6.2293     6.0000    -0.2293     4.0277     3.7109     0.3168
  4   0     6.2095     6.0000    -0.2095     4.0114     3.6947     0.3167
  5   0     0.9048     1.0000     0.0952     0.9772     0.9212     0.0560
  6   0     0.8845     1.0000     0.1155     0.9755     0.9260     0.0495
  7   0     0.9010     1.0000     0.0990     0.9745     0.9195     0.0550
  8   0     0.8825     1.0000     0.1175     0.9776     0.9278     0.0498
  9   0     0.8912     1.0000     0.1088     0.9761     0.9257     0.0504
 10   0     0.8889     1.0000     0.1111     0.9791     0.9275     0.0516
 11   0     0.8915     1.0000     0.1085     0.9768     0.9257     0.0511
 12   0     0.8754     1.0000     0.1246     0.9787     0.9297     0.0490
 13   0     0.8955     1.0000     0.1045     0.9759     0.9238     0.0521
 14   0     0.9028     1.0000     0.0972     0.9852     0.9317     0.0535
 15   0     6.2193     6.0000    -0.2193     4.0110     3.7006     0.3104
 16   0     6.2056     6.0000    -0.2056     4.0023     3.6909     0.3114
 17   0     6.1925     6.0000    -0.1925     3.9667     3.6561     0.3106
 18   0     6.2572     6.0000    -0.2572     3.9988     3.6802     0.3186
 19   0     6.2180     6.0000    -0.2180     3.9908     3.6733     0.3175
 20   0     0.8957     1.0000     0.1043     0.9749     0.9201     0.0548
 21   0     0.8913     1.0000     0.1087     0.9806     0.9340     0.0466
 22   0     0.8919     1.0000     0.1081     0.9774     0.9278     0.0496
 23   0     0.8994     1.0000     0.1006     0.9783     0.9278     0.0505
 24   0     0.9074     1.0000     0.0926     0.9891     0.9411     0.0480
 25   0     0.8657     1.0000     0.1343     0.9752     0.9284     0.0468
 26   0     0.8914     1.0000     0.1086     0.9794     0.9304     0.0490
 27   0     0.8845     1.0000     0.1155     0.9774     0.9264     0.0510
 28   0     0.8876     1.0000     0.1124     0.9769     0.9259     0.0510
 29   0     0.8932     1.0000     0.1068     0.9756     0.9226     0.0530
 30   0     6.1767     6.0000    -0.1767     3.9824     3.6696     0.3128
 31   0     6.2751     6.0000    -0.2751     3.9712     3.6451     0.3261
 32   0     6.1839     6.0000    -0.1839     3.9630     3.6494     0.3136
 33   0     6.2631     6.0000    -0.2631     4.0178     3.6923     0.3255
 34   0     6.1902     6.0000    -0.1902     4.0363     3.7209     0.3154
 35   0     0.9224     1.0000     0.0776     1.0092     0.9547     0.0545
 36   0     0.8925     1.0000     0.1075     0.9786     0.9248     0.0538
 37   0     0.8794     1.0000     0.1206     0.9688     0.9159     0.0529
 38   0     0.8885     1.0000     0.1115     0.9710     0.9179     0.0531
 39   0     0.8943     1.0000     0.1057     0.9787     0.9256     0.0531
 40   0     0.8855     1.0000     0.1145     0.9831     0.9365     0.0466
 41   0     0.8717     1.0000     0.1283     0.9686     0.9170     0.0516
 42   0     0.9077     1.0000     0.0923     0.9916     0.9397     0.0519
 43   0     0.8768     1.0000     0.1232     0.9752     0.9262     0.0490
 44   0     0.8926     1.0000     0.1074     0.9843     0.9335     0.0508
 45   0     6.1846     6.0000    -0.1846     3.9877     3.6804     0.3073
 46   0     6.2117     6.0000    -0.2117     3.9897     3.6763     0.3134
 47   0     6.2140     6.0000    -0.2140     4.0023     3.6910     0.3113
 48   0     6.1873     6.0000    -0.1873     3.9810     3.6696     0.3114
 49   0     6.2655     6.0000    -0.2655     4.0042     3.6864     0.3178
 50   0     0.8938     1.0000     0.1062     0.9819     0.9322     0.0497
 51   0     0.8907     1.0000     0.1093     0.9812     0.9320     0.0492
 52   0     0.8865     1.0000     0.1135     0.9797     0.9296     0.0501
 53   0     0.9001     1.0000     0.0999     0.9793     0.9282     0.0511
 54   0     0.8944     1.0000     0.1056     0.9820     0.9342     0.0478
 55   0     0.8931     1.0000     0.1069     0.9791     0.9289     0.0502
 56   0     0.8953     1.0000     0.1047     0.9814     0.9292     0.0522
 57   0     0.8916     1.0000     0.1084     0.9814     0.9313     0.0501
 58   0     0.8919     1.0000     0.1081     0.9745     0.9195     0.0550
 59   0     0.8997     1.0000     0.1003     0.9841     0.9331     0.0510
 60   0     6.1857     6.0000    -0.1857     3.9794     3.6659     0.3135
 61   0     6.2588     6.0000    -0.2588     3.9888     3.6760     0.3128
 62   0     6.2551     6.0000    -0.2551     3.9909     3.6639     0.3270
 63   0     6.1848     6.0000    -0.1848     3.9535     3.6352     0.3183
 64   0     6.2502     6.0000    -0.2502     4.0190     3.6965     0.3225
 65   0     0.8889     1.0000     0.1111     0.9765     0.9250     0.0515
 66   0     0.8868     1.0000     0.1132     0.9782     0.9277     0.0505
 67   0     0.8863     1.0000     0.1137     0.9763     0.9283     0.0480
 68   0     0.8804     1.0000     0.1196     0.9765     0.9289     0.0476
 69   0     0.8870     1.0000     0.1130     0.9769     0.9258     0.0511
 70   0     0.8884     1.0000     0.1116     0.9774     0.9251     0.0523
 71   0     0.8865     1.0000     0.1135     0.9794     0.9285     0.0509
 72   0     0.8876     1.0000     0.1124     0.9846     0.9355     0.0491
 73   0     0.8800     1.0000     0.1200     0.9774     0.9273     0.0501
 74   0     0.8905     1.0000     0.1095     0.9736     0.9194     0.0542
 75   0     6.2041     6.0000    -0.2041     3.9704     3.6610     0.3094
 76   0     6.2096     6.0000    -0.2096     3.9547     3.6383     0.3164
 77   0     6.2390     6.0000    -0.2390     3.9950     3.6807     0.3143
 78   0     6.1804     6.0000    -0.1804     3.9766     3.6737     0.3029
 79   0     6.2444     6.0000    -0.2444     4.0004     3.6811     0.3193
 80   0     0.8866     1.0000     0.1134     0.9895     0.9408     0.0487
 81   0     0.8957     1.0000     0.1043     0.9793     0.9283     0.0510
 82   0     0.8915     1.0000     0.1085     0.9775     0.9255     0.0520
 83   0     0.8997     1.0000     0.1003     0.9885     0.9360     0.0525
 84   0     0.8915     1.0000     0.1085     0.9773     0.9278     0.0495
 85   0     0.8922     1.0000     0.1078     0.9756     0.9229     0.0527
 86   0     0.8964     1.0000     0.1036     0.9838     0.9355     0.0483
 87   0     0.8917     1.0000     0.1083     0.9784     0.9278     0.0506
 88   0     0.8894     1.0000     0.1106     0.9741     0.9216     0.0525
 89   0     0.8890     1.0000     0.1110     0.9766     0.9247     0.0519
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.915387
                0             6               4            6                0.923345
                0             6               5            1                0.925948
                0             6               6            1                0.935461
                1             6               2            6                0.929706
                1             6               7            1                0.930878
                1             6               8            1                0.932442
                2             6               3            6                0.929870
                2             6               9            1                0.939087
                2             6              10            1                0.929154
                3             6               4            6                0.928851
                3             6              11            1                0.938113
                3             6              12            1                0.931388
                4             6              13            1                0.932535
                4             6              14            1                0.938532
               15             6              16            6                0.938008
               15             6              19            6                0.921272
               15             6              20            1                0.925542
               15             6              21            1                0.946960
               16             6              17            6                0.913827
               16             6              22            1                0.939526
               16             6              23            1                0.941505
               17             6              18            6                0.904084
               17             6              24            1                0.950001
               17             6              25            1                0.928339
               18             6              19            6                0.921254
               18             6              26            1                0.949562
               18             6              27            1                0.932711
               19             6              28            1                0.941648
               19             6              29            1                0.935053
               30             6              31            6                0.905640
               30             6              34            6                0.938724
               30             6              35            1                0.947847
               30             6              36            1                0.927036
               31             6              32            6                0.904503
               31             6              37            1                0.931395
               31             6              38            1                0.942672
               32             6              33            6                0.916943
               32             6              39            1                0.931507
               32             6              40            1                0.945100
               33             6              34            6                0.914394
               33             6              41            1                0.934122
               33             6              42            1                0.948980
               34             6              43            1                0.930520
               34             6              44            1                0.947637
               45             6              46            6                0.925066
               45             6              49            6                0.919435
               45             6              50            1                0.939074
               45             6              51            1                0.939631
               46             6              47            6                0.913870
               46             6              52            1                0.933900
               46             6              53            1                0.941842
               47             6              48            6                0.922896
               47             6              54            1                0.942432
               47             6              55            1                0.941601
               48             6              49            6                0.916617
               48             6              56            1                0.938841
               48             6              57            1                0.939496
               49             6              58            1                0.930524
               49             6              59            1                0.942335
               60             6              61            6                0.904500
               60             6              64            6                0.930438
               60             6              65            1                0.940274
               60             6              66            1                0.939389
               61             6              62            6                0.909614
               61             6              67            1                0.953246
               61             6              68            1                0.944682
               62             6              63            6                0.896629
               62             6              69            1                0.937603
               62             6              70            1                0.937510
               63             6              64            6                0.910419
               63             6              71            1                0.937307
               63             6              72            1                0.951201
               64             6              73            1                0.938594
               64             6              74            1                0.934299
               75             6              76            6                0.908823
               75             6              79            6                0.914843
               75             6              80            1                0.939402
               75             6              81            1                0.935253
               76             6              77            6                0.909324
               76             6              82            1                0.934161
               76             6              83            1                0.943812
               77             6              78            6                0.917997
               77             6              84            1                0.944389
               77             6              85            1                0.936253
               78             6              79            6                0.920027
               78             6              86            1                0.948476
               78             6              87            1                0.932223
               79             6              88            1                0.940564
               79             6              89            1                0.938517
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2182633924
        Correlation Energy:       -5.0558884046
        Total MP2 Energy:      -1176.2741517970
# -----------------------------------------------------------
$ 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) :        0.2168365097
        Electronic Contribution:
                  0    
      0      -0.321934
      1       1.129233
      2      -0.436072
        Nuclear Contribution:
                  0    
      0       0.289202
      1      -1.076474
      2       0.377569
        Total Dipole moment:
                  0    
      0      -0.032732
      1       0.052759
      2      -0.058503
# -----------------------------------------------------------
$ 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) :        0.2121010341
        Electronic Contribution:
                  0    
      0      -0.321596
      1       1.127478
      2      -0.435122
        Nuclear Contribution:
                  0    
      0       0.289202
      1      -1.076474
      2       0.377569
        Total Dipole moment:
                  0    
      0      -0.032394
      1       0.051004
      2      -0.057553
# -----------------------------------------------------------
$ 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) :        0.1073595696
        Electronic Contribution:
                  0    
      0      -0.307360
      1       1.083326
      2      -0.415084
        Nuclear Contribution:
                  0    
      0       0.289202
      1      -1.076474
      2       0.377569
        Total Dipole moment:
                  0    
      0      -0.018158
      1       0.006851
      2      -0.037515
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     23.080000000000   17.670000000000   14.990000000000
               1 C     22.760000000000   17.280000000000   13.580000000000
               2 C     21.260000000000   17.060000000000   13.450000000000
               3 C     20.700000000000   16.880000000000   14.850000000000
               4 C     21.960000000000   17.130000000000   15.770000000000
               5 H     23.070000000000   18.800000000000   15.150000000000
               6 H     24.030000000000   17.350000000000   15.400000000000
               7 H     23.380000000000   16.340000000000   13.400000000000
               8 H     23.190000000000   17.970000000000   12.870000000000
               9 H     21.200000000000   16.140000000000   12.880000000000
              10 H     20.810000000000   17.910000000000   12.890000000000
              11 H     20.460000000000   15.810000000000   14.900000000000
              12 H     19.820000000000   17.490000000000   15.020000000000
              13 H     22.310000000000   16.190000000000   16.240000000000
              14 H     21.690000000000   17.830000000000   16.580000000000
              15 C     17.380000000000   16.090000000000   20.610000000000
              16 C     18.070000000000   16.760000000000   19.450000000000
              17 C     19.050000000000   17.830000000000   19.980000000000
              18 C     19.400000000000   17.290000000000   21.380000000000
              19 C     18.290000000000   16.300000000000   21.810000000000
              20 H     17.280000000000   14.960000000000   20.390000000000
              21 H     16.440000000000   16.460000000000   20.780000000000
              22 H     17.360000000000   17.130000000000   18.740000000000
              23 H     18.670000000000   16.080000000000   18.880000000000
              24 H     18.440000000000   18.600000000000   20.250000000000
              25 H     19.850000000000   18.010000000000   19.290000000000
              26 H     19.380000000000   18.080000000000   22.080000000000
              27 H     20.360000000000   16.760000000000   21.480000000000
              28 H     17.640000000000   16.610000000000   22.640000000000
              29 H     18.750000000000   15.310000000000   22.090000000000
              30 C     23.960000000000   21.190000000000   20.390000000000
              31 C     23.850000000000   19.870000000000   21.130000000000
              32 C     22.580000000000   19.090000000000   20.710000000000
              33 C     21.930000000000   20.020000000000   19.690000000000
              34 C     22.650000000000   21.440000000000   19.710000000000
              35 H     24.810000000000   21.100000000000   19.690000000000
              36 H     24.210000000000   21.970000000000   21.180000000000
              37 H     23.970000000000   19.890000000000   22.250000000000
              38 H     24.740000000000   19.270000000000   20.870000000000
              39 H     21.910000000000   19.050000000000   21.620000000000
              40 H     22.700000000000   18.180000000000   20.240000000000
              41 H     20.840000000000   20.040000000000   19.940000000000
              42 H     22.080000000000   19.530000000000   18.750000000000
              43 H     22.130000000000   22.280000000000   20.160000000000
              44 H     22.810000000000   21.690000000000   18.680000000000
              45 C     19.390000000000   22.080000000000   16.560000000000
              46 C     18.720000000000   23.050000000000   15.600000000000
              47 C     19.710000000000   23.240000000000   14.430000000000
              48 C     20.650000000000   22.030000000000   14.510000000000
              49 C     20.320000000000   21.210000000000   15.730000000000
              50 H     18.660000000000   21.460000000000   17.040000000000
              51 H     19.930000000000   22.580000000000   17.330000000000
              52 H     18.420000000000   23.990000000000   16.070000000000
              53 H     17.820000000000   22.580000000000   15.210000000000
              54 H     20.190000000000   24.150000000000   14.580000000000
              55 H     19.140000000000   23.220000000000   13.500000000000
              56 H     21.700000000000   22.340000000000   14.700000000000
              57 H     20.490000000000   21.600000000000   13.540000000000
              58 H     21.270000000000   20.870000000000   16.250000000000
              59 H     19.870000000000   20.250000000000   15.530000000000
              60 C     27.730000000000   21.290000000000   16.560000000000
              61 C     26.520000000000   21.250000000000   17.530000000000
              62 C     25.230000000000   21.230000000000   16.670000000000
              63 C     25.740000000000   21.210000000000   15.150000000000
              64 C     27.310000000000   21.200000000000   15.080000000000
              65 H     28.410000000000   20.450000000000   16.720000000000
              66 H     28.330000000000   22.180000000000   16.730000000000
              67 H     26.550000000000   22.110000000000   18.100000000000
              68 H     26.560000000000   20.530000000000   18.270000000000
              69 H     24.620000000000   22.120000000000   16.840000000000
              70 H     24.650000000000   20.350000000000   17.020000000000
              71 H     25.350000000000   22.040000000000   14.560000000000
              72 H     25.350000000000   20.320000000000   14.770000000000
              73 H     27.700000000000   21.970000000000   14.410000000000
              74 H     27.540000000000   20.220000000000   14.540000000000
              75 C     27.990000000000   21.270000000000   21.710000000000
              76 C     27.840000000000   19.860000000000   22.210000000000
              77 C     28.490000000000   19.680000000000   23.610000000000
              78 C     28.810000000000   21.050000000000   24.110000000000
              79 C     28.480000000000   22.010000000000   22.980000000000
              80 H     27.070000000000   21.640000000000   21.330000000000
              81 H     28.780000000000   21.240000000000   20.950000000000
              82 H     28.210000000000   19.120000000000   21.470000000000
              83 H     26.780000000000   19.630000000000   22.370000000000
              84 H     29.400000000000   19.120000000000   23.610000000000
              85 H     27.780000000000   19.130000000000   24.290000000000
              86 H     29.840000000000   21.070000000000   24.300000000000
              87 H     28.230000000000   21.260000000000   25.020000000000
              88 H     29.360000000000   22.640000000000   22.720000000000
              89 H     27.730000000000   22.770000000000   23.250000000000
