-------------------------------------------------------------
----------------------- !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:    -1171.2225602849
# -----------------------------------------------------------
$ 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     6.1496     6.0000    -0.1496     3.8910     3.8910    -0.0000
  1   0     6.1536     6.0000    -0.1536     3.9136     3.9136    -0.0000
  2   0     6.1801     6.0000    -0.1801     3.9037     3.9037    -0.0000
  3   0     6.0858     6.0000    -0.0858     3.8877     3.8877    -0.0000
  4   0     6.1878     6.0000    -0.1878     3.8897     3.8897    -0.0000
  5   0     0.9161     1.0000     0.0839     0.9737     0.9737    -0.0000
  6   0     0.9171     1.0000     0.0829     0.9750     0.9750    -0.0000
  7   0     0.9167     1.0000     0.0833     0.9775     0.9775     0.0000
  8   0     0.9185     1.0000     0.0815     0.9783     0.9783    -0.0000
  9   0     0.9224     1.0000     0.0776     0.9741     0.9741     0.0000
 10   0     0.9093     1.0000     0.0907     0.9747     0.9747     0.0000
 11   0     0.9202     1.0000     0.0798     0.9764     0.9764    -0.0000
 12   0     0.9528     1.0000     0.0472     1.0052     1.0052    -0.0000
 13   0     0.9433     1.0000     0.0567     0.9693     0.9693     0.0000
 14   0     0.9356     1.0000     0.0644     0.9770     0.9770     0.0000
 15   0     6.1596     6.0000    -0.1596     3.9129     3.9129     0.0000
 16   0     6.1652     6.0000    -0.1652     3.8796     3.8796     0.0000
 17   0     6.1989     6.0000    -0.1989     3.8910     3.8910    -0.0000
 18   0     6.2124     6.0000    -0.2124     3.8900     3.8900    -0.0000
 19   0     6.1388     6.0000    -0.1388     3.8962     3.8962     0.0000
 20   0     0.9174     1.0000     0.0826     0.9769     0.9769     0.0000
 21   0     0.9129     1.0000     0.0871     0.9861     0.9861     0.0000
 22   0     0.9066     1.0000     0.0934     0.9809     0.9809    -0.0000
 23   0     0.9206     1.0000     0.0794     0.9792     0.9792     0.0000
 24   0     0.9115     1.0000     0.0885     0.9699     0.9699    -0.0000
 25   0     0.8971     1.0000     0.1029     0.9614     0.9614    -0.0000
 26   0     0.9037     1.0000     0.0963     0.9694     0.9694    -0.0000
 27   0     0.9134     1.0000     0.0866     0.9762     0.9762    -0.0000
 28   0     0.9187     1.0000     0.0813     0.9825     0.9825     0.0000
 29   0     0.9083     1.0000     0.0917     0.9775     0.9775    -0.0000
 30   0     6.1437     6.0000    -0.1437     3.8786     3.8786     0.0000
 31   0     6.1900     6.0000    -0.1900     3.8684     3.8684    -0.0000
 32   0     6.1799     6.0000    -0.1799     3.8850     3.8850     0.0000
 33   0     6.1583     6.0000    -0.1583     3.8698     3.8698     0.0000
 34   0     6.1770     6.0000    -0.1770     3.8994     3.8994     0.0000
 35   0     0.9086     1.0000     0.0914     0.9728     0.9728     0.0000
 36   0     0.9219     1.0000     0.0781     0.9748     0.9748    -0.0000
 37   0     0.9298     1.0000     0.0702     0.9796     0.9796    -0.0000
 38   0     0.9016     1.0000     0.0984     0.9736     0.9736    -0.0000
 39   0     0.9099     1.0000     0.0901     0.9753     0.9753     0.0000
 40   0     0.9176     1.0000     0.0824     0.9748     0.9748     0.0000
 41   0     0.9144     1.0000     0.0856     0.9787     0.9787     0.0000
 42   0     0.9141     1.0000     0.0859     0.9722     0.9722     0.0000
 43   0     0.9152     1.0000     0.0848     0.9742     0.9742     0.0000
 44   0     0.9155     1.0000     0.0845     0.9784     0.9784    -0.0000
 45   0     6.1327     6.0000    -0.1327     3.9218     3.9218    -0.0000
 46   0     6.1442     6.0000    -0.1442     3.9082     3.9082    -0.0000
 47   0     6.1424     6.0000    -0.1424     3.8945     3.8945    -0.0000
 48   0     6.2023     6.0000    -0.2023     3.8746     3.8746     0.0000
 49   0     6.1748     6.0000    -0.1748     3.8876     3.8876     0.0000
 50   0     0.9257     1.0000     0.0743     0.9781     0.9781    -0.0000
 51   0     0.9169     1.0000     0.0831     0.9811     0.9811    -0.0000
 52   0     0.9134     1.0000     0.0866     0.9737     0.9737    -0.0000
 53   0     0.9349     1.0000     0.0651     0.9774     0.9774    -0.0000
 54   0     0.9181     1.0000     0.0819     0.9794     0.9794    -0.0000
 55   0     0.9208     1.0000     0.0792     0.9760     0.9760    -0.0000
 56   0     0.9291     1.0000     0.0709     0.9724     0.9724     0.0000
 57   0     0.9026     1.0000     0.0974     0.9680     0.9680     0.0000
 58   0     0.9168     1.0000     0.0832     0.9740     0.9740    -0.0000
 59   0     0.9240     1.0000     0.0760     0.9757     0.9757    -0.0000
 60   0     6.1965     6.0000    -0.1965     3.9051     3.9051    -0.0000
 61   0     6.0875     6.0000    -0.0875     3.8939     3.8939    -0.0000
 62   0     6.1685     6.0000    -0.1685     3.9275     3.9275    -0.0000
 63   0     6.1662     6.0000    -0.1662     3.8571     3.8571    -0.0000
 64   0     6.1502     6.0000    -0.1502     3.9144     3.9144     0.0000
 65   0     0.9338     1.0000     0.0662     0.9774     0.9774    -0.0000
 66   0     0.9154     1.0000     0.0846     0.9709     0.9709    -0.0000
 67   0     0.9374     1.0000     0.0626     0.9862     0.9862    -0.0000
 68   0     0.9183     1.0000     0.0817     0.9718     0.9718    -0.0000
 69   0     0.9257     1.0000     0.0743     0.9813     0.9813     0.0000
 70   0     0.9170     1.0000     0.0830     0.9778     0.9778    -0.0000
 71   0     0.9240     1.0000     0.0760     0.9771     0.9771    -0.0000
 72   0     0.9270     1.0000     0.0730     0.9812     0.9812    -0.0000
 73   0     0.9184     1.0000     0.0816     0.9826     0.9826    -0.0000
 74   0     0.9144     1.0000     0.0856     0.9749     0.9749    -0.0000
 75   0     6.1936     6.0000    -0.1936     3.9395     3.9395    -0.0000
 76   0     6.1226     6.0000    -0.1226     3.8817     3.8817     0.0000
 77   0     6.1654     6.0000    -0.1654     3.9258     3.9258     0.0000
 78   0     6.1409     6.0000    -0.1409     3.8782     3.8782    -0.0000
 79   0     6.1454     6.0000    -0.1454     3.8676     3.8676     0.0000
 80   0     0.9086     1.0000     0.0914     0.9771     0.9771    -0.0000
 81   0     0.9191     1.0000     0.0809     0.9734     0.9734    -0.0000
 82   0     0.9248     1.0000     0.0752     0.9775     0.9775     0.0000
 83   0     0.9174     1.0000     0.0826     0.9776     0.9776     0.0000
 84   0     0.9154     1.0000     0.0846     0.9711     0.9711    -0.0000
 85   0     0.9222     1.0000     0.0778     0.9787     0.9787     0.0000
 86   0     0.9423     1.0000     0.0577     0.9808     0.9808    -0.0000
 87   0     0.9284     1.0000     0.0716     0.9745     0.9745     0.0000
 88   0     0.9505     1.0000     0.0495     0.9867     0.9867    -0.0000
 89   0     0.9127     1.0000     0.0873     0.9725     0.9725     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                0.982787
                0             6               4            6                0.948414
                0             6               5            1                0.993036
                0             6               6            1                0.997353
                1             6               2            6                0.974090
                1             6               7            1                0.994742
                1             6               8            1                0.987500
                2             6               3            6                0.971230
                2             6               9            1                0.997520
                2             6              10            1                0.986668
                3             6               4            6                0.974964
                3             6              11            1                0.992997
                3             6              12            1                0.989647
                4             6              13            1                0.999117
                4             6              14            1                0.989391
               15             6              16            6                0.982985
               15             6              19            6                0.973671
               15             6              20            1                0.990974
               15             6              21            1                0.998539
               16             6              17            6                0.969729
               16             6              22            1                0.979173
               16             6              23            1                0.986294
               17             6              18            6                0.975350
               17             6              24            1                0.993110
               17             6              25            1                0.985019
               18             6              19            6                0.965621
               18             6              26            1                0.986242
               18             6              27            1                0.998902
               19             6              28            1                0.997794
               19             6              29            1                0.992252
               30             6              31            6                0.963399
               30             6              34            6                0.973360
               30             6              35            1                0.985836
               30             6              36            1                0.997159
               31             6              32            6                0.961857
               31             6              37            1                0.994078
               31             6              38            1                0.985729
               32             6              33            6                0.968009
               32             6              39            1                0.985826
               32             6              40            1                0.995176
               33             6              34            6                0.957695
               33             6              41            1                0.993771
               33             6              42            1                0.995514
               34             6              43            1                0.990637
               34             6              44            1                0.991692
               45             6              46            6                0.978265
               45             6              49            6                0.980136
               45             6              50            1                0.997826
               45             6              51            1                0.991287
               46             6              47            6                0.983459
               46             6              52            1                0.987798
               46             6              53            1                0.999724
               47             6              48            6                0.953367
               47             6              54            1                0.992983
               47             6              55            1                0.994386
               48             6              49            6                0.963430
               48             6              56            1                1.000465
               48             6              57            1                0.989817
               49             6              58            1                0.990681
               49             6              59            1                0.991509
               60             6              61            6                0.966141
               60             6              64            6                0.980951
               60             6              65            1                0.996232
               60             6              66            1                0.990441
               61             6              62            6                0.991893
               61             6              67            1                0.988900
               61             6              68            1                0.989574
               62             6              63            6                0.960319
               62             6              69            1                0.992863
               62             6              70            1                0.988040
               63             6              64            6                0.971171
               63             6              71            1                0.987449
               63             6              72            1                0.993425
               64             6              73            1                0.985368
               64             6              74            1                0.991689
               75             6              76            6                0.977395
               75             6              79            6                0.972787
               75             6              80            1                0.990130
               75             6              81            1                0.995214
               76             6              77            6                0.978947
               76             6              82            1                0.995583
               76             6              83            1                0.994412
               77             6              78            6                0.981528
               77             6              84            1                0.989885
               77             6              85            1                0.996503
               78             6              79            6                0.961779
               78             6              86            1                0.981387
               78             6              87            1                0.992917
               79             6              88            1                1.004215
               79             6              89            1                0.991011
# -----------------------------------------------------------
$ 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     6.1579     6.0000    -0.1579     4.0002     3.6818     0.3184
  1   0     6.1612     6.0000    -0.1612     4.0199     3.7023     0.3176
  2   0     6.1880     6.0000    -0.1880     4.0140     3.6877     0.3263
  3   0     6.0929     6.0000    -0.0929     3.9907     3.6768     0.3139
  4   0     6.1949     6.0000    -0.1949     4.0015     3.6731     0.3284
  5   0     0.9123     1.0000     0.0877     0.9834     0.9324     0.0510
  6   0     0.9132     1.0000     0.0868     0.9843     0.9338     0.0505
  7   0     0.9128     1.0000     0.0872     0.9867     0.9359     0.0508
  8   0     0.9147     1.0000     0.0853     0.9877     0.9363     0.0514
  9   0     0.9183     1.0000     0.0817     0.9837     0.9300     0.0537
 10   0     0.9055     1.0000     0.0945     0.9840     0.9314     0.0526
 11   0     0.9160     1.0000     0.0840     0.9855     0.9338     0.0517
 12   0     0.9500     1.0000     0.0500     1.0174     0.9644     0.0530
 13   0     0.9390     1.0000     0.0610     0.9799     0.9217     0.0582
 14   0     0.9320     1.0000     0.0680     0.9885     0.9369     0.0516
 15   0     6.1675     6.0000    -0.1675     4.0234     3.6961     0.3273
 16   0     6.1744     6.0000    -0.1744     3.9962     3.6621     0.3341
 17   0     6.2078     6.0000    -0.2078     4.0071     3.6768     0.3303
 18   0     6.2202     6.0000    -0.2202     4.0033     3.6776     0.3257
 19   0     6.1465     6.0000    -0.1465     4.0053     3.6874     0.3179
 20   0     0.9133     1.0000     0.0867     0.9863     0.9332     0.0531
 21   0     0.9088     1.0000     0.0912     0.9952     0.9425     0.0527
 22   0     0.9026     1.0000     0.0974     0.9898     0.9369     0.0529
 23   0     0.9163     1.0000     0.0837     0.9883     0.9346     0.0537
 24   0     0.9072     1.0000     0.0928     0.9792     0.9264     0.0528
 25   0     0.8927     1.0000     0.1073     0.9696     0.9175     0.0521
 26   0     0.8995     1.0000     0.1005     0.9781     0.9269     0.0512
 27   0     0.9095     1.0000     0.0905     0.9854     0.9334     0.0520
 28   0     0.9148     1.0000     0.0852     0.9919     0.9431     0.0488
 29   0     0.9043     1.0000     0.0957     0.9866     0.9376     0.0490
 30   0     6.1522     6.0000    -0.1522     3.9892     3.6659     0.3233
 31   0     6.1978     6.0000    -0.1978     3.9827     3.6463     0.3364
 32   0     6.1876     6.0000    -0.1876     3.9958     3.6692     0.3266
 33   0     6.1649     6.0000    -0.1649     3.9772     3.6628     0.3144
 34   0     6.1854     6.0000    -0.1854     4.0119     3.6829     0.3290
 35   0     0.9045     1.0000     0.0955     0.9818     0.9326     0.0492
 36   0     0.9178     1.0000     0.0822     0.9841     0.9316     0.0525
 37   0     0.9261     1.0000     0.0739     0.9899     0.9341     0.0558
 38   0     0.8976     1.0000     0.1024     0.9824     0.9302     0.0522
 39   0     0.9062     1.0000     0.0938     0.9846     0.9313     0.0533
 40   0     0.9138     1.0000     0.0862     0.9843     0.9308     0.0535
 41   0     0.9107     1.0000     0.0893     0.9881     0.9388     0.0493
 42   0     0.9103     1.0000     0.0897     0.9818     0.9304     0.0514
 43   0     0.9117     1.0000     0.0883     0.9838     0.9309     0.0529
 44   0     0.9114     1.0000     0.0886     0.9876     0.9370     0.0506
 45   0     6.1406     6.0000    -0.1406     4.0264     3.7174     0.3090
 46   0     6.1519     6.0000    -0.1519     4.0140     3.6997     0.3143
 47   0     6.1505     6.0000    -0.1505     4.0022     3.6876     0.3146
 48   0     6.2095     6.0000    -0.2095     3.9862     3.6668     0.3194
 49   0     6.1827     6.0000    -0.1827     3.9977     3.6779     0.3198
 50   0     0.9218     1.0000     0.0782     0.9876     0.9386     0.0490
 51   0     0.9131     1.0000     0.0869     0.9903     0.9399     0.0504
 52   0     0.9096     1.0000     0.0904     0.9830     0.9332     0.0498
 53   0     0.9309     1.0000     0.0691     0.9874     0.9330     0.0544
 54   0     0.9142     1.0000     0.0858     0.9886     0.9382     0.0504
 55   0     0.9171     1.0000     0.0829     0.9855     0.9334     0.0521
 56   0     0.9251     1.0000     0.0749     0.9822     0.9294     0.0528
 57   0     0.8988     1.0000     0.1012     0.9770     0.9253     0.0517
 58   0     0.9128     1.0000     0.0872     0.9833     0.9311     0.0522
 59   0     0.9201     1.0000     0.0799     0.9854     0.9315     0.0539
 60   0     6.2044     6.0000    -0.2044     4.0147     3.6955     0.3192
 61   0     6.0954     6.0000    -0.0954     3.9963     3.6922     0.3041
 62   0     6.1767     6.0000    -0.1767     4.0354     3.7177     0.3177
 63   0     6.1741     6.0000    -0.1741     3.9690     3.6432     0.3258
 64   0     6.1583     6.0000    -0.1583     4.0221     3.7029     0.3192
 65   0     0.9298     1.0000     0.0702     0.9873     0.9325     0.0548
 66   0     0.9116     1.0000     0.0884     0.9803     0.9278     0.0525
 67   0     0.9332     1.0000     0.0668     0.9958     0.9450     0.0508
 68   0     0.9143     1.0000     0.0857     0.9811     0.9296     0.0515
 69   0     0.9216     1.0000     0.0784     0.9903     0.9372     0.0531
 70   0     0.9130     1.0000     0.0870     0.9867     0.9352     0.0515
 71   0     0.9200     1.0000     0.0800     0.9869     0.9331     0.0538
 72   0     0.9228     1.0000     0.0772     0.9906     0.9374     0.0532
 73   0     0.9144     1.0000     0.0856     0.9917     0.9413     0.0504
 74   0     0.9104     1.0000     0.0896     0.9840     0.9322     0.0518
 75   0     6.2010     6.0000    -0.2010     4.0473     3.7283     0.3190
 76   0     6.1301     6.0000    -0.1301     3.9874     3.6752     0.3122
 77   0     6.1735     6.0000    -0.1735     4.0340     3.7157     0.3183
 78   0     6.1493     6.0000    -0.1493     3.9903     3.6605     0.3298
 79   0     6.1531     6.0000    -0.1531     3.9781     3.6565     0.3216
 80   0     0.9048     1.0000     0.0952     0.9861     0.9358     0.0503
 81   0     0.9152     1.0000     0.0848     0.9827     0.9310     0.0517
 82   0     0.9209     1.0000     0.0791     0.9871     0.9356     0.0515
 83   0     0.9136     1.0000     0.0864     0.9871     0.9365     0.0506
 84   0     0.9116     1.0000     0.0884     0.9804     0.9286     0.0518
 85   0     0.9183     1.0000     0.0817     0.9880     0.9357     0.0523
 86   0     0.9382     1.0000     0.0618     0.9913     0.9341     0.0572
 87   0     0.9245     1.0000     0.0755     0.9844     0.9294     0.0550
 88   0     0.9465     1.0000     0.0535     0.9973     0.9434     0.0539
 89   0     0.9085     1.0000     0.0915     0.9817     0.9315     0.0502
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.920704
                0             6               4            6                0.884649
                0             6               5            1                0.952844
                0             6               6            1                0.957281
                1             6               2            6                0.909464
                1             6               7            1                0.954281
                1             6               8            1                0.947009
                2             6               3            6                0.907446
                2             6               9            1                0.954509
                2             6              10            1                0.944846
                3             6               4            6                0.912180
                3             6              11            1                0.951293
                3             6              12            1                0.950450
                4             6              13            1                0.951923
                4             6              14            1                0.950064
               15             6              16            6                0.917852
               15             6              19            6                0.910180
               15             6              20            1                0.948619
               15             6              21            1                0.956411
               16             6              17            6                0.906288
               16             6              22            1                0.936641
               16             6              23            1                0.943378
               17             6              18            6                0.913369
               17             6              24            1                0.950378
               17             6              25            1                0.942298
               18             6              19            6                0.900787
               18             6              26            1                0.945068
               18             6              27            1                0.957233
               19             6              28            1                0.959428
               19             6              29            1                0.953722
               30             6              31            6                0.898591
               30             6              34            6                0.909358
               30             6              35            1                0.947096
               30             6              36            1                0.954944
               31             6              32            6                0.894217
               31             6              37            1                0.949876
               31             6              38            1                0.943892
               32             6              33            6                0.908870
               32             6              39            1                0.943448
               32             6              40            1                0.952407
               33             6              34            6                0.891945
               33             6              41            1                0.955293
               33             6              42            1                0.954908
               34             6              43            1                0.948558
               34             6              44            1                0.951568
               45             6              46            6                0.917272
               45             6              49            6                0.918571
               45             6              50            1                0.959346
               45             6              51            1                0.951527
               46             6              47            6                0.921543
               46             6              52            1                0.948697
               46             6              53            1                0.956296
               47             6              48            6                0.892940
               47             6              54            1                0.953173
               47             6              55            1                0.953058
               48             6              49            6                0.903001
               48             6              56            1                0.958324
               48             6              57            1                0.948328
               49             6              58            1                0.949086
               49             6              59            1                0.948539
               60             6              61            6                0.907778
               60             6              64            6                0.918264
               60             6              65            1                0.952727
               60             6              66            1                0.948838
               61             6              62            6                0.932650
               61             6              67            1                0.949123
               61             6              68            1                0.948868
               62             6              63            6                0.898287
               62             6              69            1                0.950037
               62             6              70            1                0.946806
               63             6              64            6                0.907406
               63             6              71            1                0.944672
               63             6              72            1                0.950848
               64             6              73            1                0.945621
               64             6              74            1                0.950354
               75             6              76            6                0.915089
               75             6              79            6                0.909322
               75             6              80            1                0.950337
               75             6              81            1                0.953869
               76             6              77            6                0.917531
               76             6              82            1                0.954839
               76             6              83            1                0.954586
               77             6              78            6                0.919540
               77             6              84            1                0.948562
               77             6              85            1                0.954864
               78             6              79            6                0.899291
               78             6              86            1                0.935835
               78             6              87            1                0.948856
               79             6              88            1                0.961633
               79             6              89            1                0.951088
# -----------------------------------------------------------
$ 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     6.2115     6.0000    -0.2115     3.9742     3.6596     0.3146
  1   0     6.2131     6.0000    -0.2131     3.9991     3.6855     0.3136
  2   0     6.2289     6.0000    -0.2289     3.9836     3.6616     0.3220
  3   0     6.1618     6.0000    -0.1618     3.9772     3.6674     0.3098
  4   0     6.2416     6.0000    -0.2416     3.9778     3.6543     0.3235
  5   0     0.8861     1.0000     0.1139     0.9767     0.9268     0.0499
  6   0     0.8870     1.0000     0.1130     0.9757     0.9263     0.0494
  7   0     0.8883     1.0000     0.1117     0.9790     0.9291     0.0499
  8   0     0.8895     1.0000     0.1105     0.9808     0.9305     0.0503
  9   0     0.8942     1.0000     0.1058     0.9761     0.9234     0.0527
 10   0     0.8826     1.0000     0.1174     0.9796     0.9281     0.0515
 11   0     0.8897     1.0000     0.1103     0.9756     0.9250     0.0506
 12   0     0.9187     1.0000     0.0813     1.0161     0.9645     0.0516
 13   0     0.9124     1.0000     0.0876     0.9737     0.9167     0.0570
 14   0     0.9047     1.0000     0.0953     0.9921     0.9417     0.0504
 15   0     6.2171     6.0000    -0.2171     4.0037     3.6806     0.3231
 16   0     6.2227     6.0000    -0.2227     3.9908     3.6616     0.3292
 17   0     6.2660     6.0000    -0.2660     4.0043     3.6788     0.3255
 18   0     6.2499     6.0000    -0.2499     3.9828     3.6617     0.3211
 19   0     6.2032     6.0000    -0.2032     4.0044     3.6902     0.3142
 20   0     0.8881     1.0000     0.1119     0.9799     0.9280     0.0519
 21   0     0.8839     1.0000     0.1161     0.9863     0.9349     0.0514
 22   0     0.8832     1.0000     0.1168     0.9853     0.9335     0.0518
 23   0     0.8884     1.0000     0.1116     0.9778     0.9255     0.0523
 24   0     0.8819     1.0000     0.1181     0.9724     0.9211     0.0513
 25   0     0.8684     1.0000     0.1316     0.9622     0.9113     0.0509
 26   0     0.8796     1.0000     0.1204     0.9717     0.9214     0.0503
 27   0     0.8831     1.0000     0.1169     0.9760     0.9252     0.0508
 28   0     0.8887     1.0000     0.1113     0.9798     0.9321     0.0477
 29   0     0.8838     1.0000     0.1162     0.9794     0.9314     0.0480
 30   0     6.2107     6.0000    -0.2107     3.9797     3.6605     0.3192
 31   0     6.2413     6.0000    -0.2413     3.9666     3.6346     0.3320
 32   0     6.2320     6.0000    -0.2320     3.9857     3.6636     0.3221
 33   0     6.2097     6.0000    -0.2097     3.9613     3.6511     0.3102
 34   0     6.2323     6.0000    -0.2323     3.9843     3.6594     0.3249
 35   0     0.8840     1.0000     0.1160     0.9767     0.9285     0.0482
 36   0     0.8872     1.0000     0.1128     0.9741     0.9230     0.0511
 37   0     0.8988     1.0000     0.1012     0.9860     0.9316     0.0544
 38   0     0.8788     1.0000     0.1212     0.9750     0.9238     0.0512
 39   0     0.8830     1.0000     0.1170     0.9772     0.9250     0.0522
 40   0     0.8890     1.0000     0.1110     0.9756     0.9231     0.0525
 41   0     0.8865     1.0000     0.1135     0.9809     0.9327     0.0482
 42   0     0.8865     1.0000     0.1135     0.9743     0.9240     0.0503
 43   0     0.8881     1.0000     0.1119     0.9819     0.9302     0.0517
 44   0     0.8886     1.0000     0.1114     0.9787     0.9292     0.0495
 45   0     6.1993     6.0000    -0.1993     4.0054     3.7001     0.3053
 46   0     6.2068     6.0000    -0.2068     3.9929     3.6824     0.3105
 47   0     6.2029     6.0000    -0.2029     3.9902     3.6795     0.3107
 48   0     6.2581     6.0000    -0.2581     3.9812     3.6662     0.3150
 49   0     6.2266     6.0000    -0.2266     3.9833     3.6679     0.3154
 50   0     0.8945     1.0000     0.1055     0.9790     0.9310     0.0480
 51   0     0.8875     1.0000     0.1125     0.9815     0.9321     0.0494
 52   0     0.8864     1.0000     0.1136     0.9772     0.9283     0.0489
 53   0     0.9020     1.0000     0.0980     0.9780     0.9248     0.0532
 54   0     0.8883     1.0000     0.1117     0.9798     0.9305     0.0493
 55   0     0.8922     1.0000     0.1078     0.9775     0.9264     0.0511
 56   0     0.8964     1.0000     0.1036     0.9720     0.9204     0.0516
 57   0     0.8736     1.0000     0.1264     0.9682     0.9177     0.0505
 58   0     0.8893     1.0000     0.1107     0.9759     0.9247     0.0512
 59   0     0.8946     1.0000     0.1054     0.9778     0.9250     0.0528
 60   0     6.2471     6.0000    -0.2471     3.9907     3.6760     0.3147
 61   0     6.1548     6.0000    -0.1548     3.9832     3.6833     0.2999
 62   0     6.2223     6.0000    -0.2223     4.0104     3.6969     0.3135
 63   0     6.2295     6.0000    -0.2295     3.9676     3.6463     0.3213
 64   0     6.2061     6.0000    -0.2061     4.0013     3.6861     0.3152
 65   0     0.9006     1.0000     0.0994     0.9767     0.9231     0.0536
 66   0     0.8886     1.0000     0.1114     0.9749     0.9234     0.0515
 67   0     0.9058     1.0000     0.0942     0.9877     0.9380     0.0497
 68   0     0.8926     1.0000     0.1074     0.9760     0.9254     0.0506
 69   0     0.8933     1.0000     0.1067     0.9825     0.9307     0.0518
 70   0     0.8890     1.0000     0.1110     0.9791     0.9287     0.0504
 71   0     0.8960     1.0000     0.1040     0.9818     0.9292     0.0526
 72   0     0.8927     1.0000     0.1073     0.9802     0.9284     0.0518
 73   0     0.8908     1.0000     0.1092     0.9840     0.9346     0.0494
 74   0     0.8886     1.0000     0.1114     0.9773     0.9264     0.0509
 75   0     6.2378     6.0000    -0.2378     4.0175     3.7025     0.3150
 76   0     6.1872     6.0000    -0.1872     3.9782     3.6697     0.3085
 77   0     6.2238     6.0000    -0.2238     4.0161     3.7019     0.3142
 78   0     6.2053     6.0000    -0.2053     3.9766     3.6513     0.3253
 79   0     6.2135     6.0000    -0.2135     3.9746     3.6573     0.3173
 80   0     0.8830     1.0000     0.1170     0.9786     0.9292     0.0494
 81   0     0.8904     1.0000     0.1096     0.9749     0.9242     0.0507
 82   0     0.8950     1.0000     0.1050     0.9784     0.9280     0.0504
 83   0     0.8898     1.0000     0.1102     0.9789     0.9293     0.0496
 84   0     0.8881     1.0000     0.1119     0.9736     0.9227     0.0509
 85   0     0.8919     1.0000     0.1081     0.9777     0.9265     0.0512
 86   0     0.9041     1.0000     0.0959     0.9853     0.9297     0.0556
 87   0     0.8996     1.0000     0.1004     0.9760     0.9221     0.0539
 88   0     0.9185     1.0000     0.0815     0.9890     0.9364     0.0526
 89   0     0.8807     1.0000     0.1193     0.9714     0.9225     0.0489
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.926090
                0             6               4            6                0.889956
                0             6               5            1                0.940334
                0             6               6            1                0.945677
                1             6               2            6                0.913056
                1             6               7            1                0.943143
                1             6               8            1                0.935297
                2             6               3            6                0.914339
                2             6               9            1                0.940805
                2             6              10            1                0.932935
                3             6               4            6                0.916627
                3             6              11            1                0.936530
                3             6              12            1                0.943298
                4             6              13            1                0.934525
                4             6              14            1                0.940509
               15             6              16            6                0.925033
               15             6              19            6                0.922916
               15             6              20            1                0.932584
               15             6              21            1                0.937745
               16             6              17            6                0.920197
               16             6              22            1                0.923712
               16             6              23            1                0.927540
               17             6              18            6                0.921106
               17             6              24            1                0.932427
               17             6              25            1                0.927299
               18             6              19            6                0.913411
               18             6              26            1                0.930881
               18             6              27            1                0.941461
               19             6              28            1                0.945750
               19             6              29            1                0.938946
               30             6              31            6                0.906791
               30             6              34            6                0.915488
               30             6              35            1                0.936614
               30             6              36            1                0.941491
               31             6              32            6                0.900261
               31             6              37            1                0.937431
               31             6              38            1                0.929960
               32             6              33            6                0.925226
               32             6              39            1                0.929979
               32             6              40            1                0.939911
               33             6              34            6                0.892558
               33             6              41            1                0.943801
               33             6              42            1                0.941833
               34             6              43            1                0.937315
               34             6              44            1                0.937610
               45             6              46            6                0.921587
               45             6              49            6                0.925971
               45             6              50            1                0.948780
               45             6              51            1                0.937626
               46             6              47            6                0.931054
               46             6              52            1                0.936448
               46             6              53            1                0.942091
               47             6              48            6                0.903620
               47             6              54            1                0.939802
               47             6              55            1                0.940214
               48             6              49            6                0.914329
               48             6              56            1                0.944375
               48             6              57            1                0.934444
               49             6              58            1                0.936222
               49             6              59            1                0.934859
               60             6              61            6                0.924893
               60             6              64            6                0.922038
               60             6              65            1                0.935734
               60             6              66            1                0.933579
               61             6              62            6                0.939093
               61             6              67            1                0.937791
               61             6              68            1                0.932798
               62             6              63            6                0.910366
               62             6              69            1                0.932677
               62             6              70            1                0.934640
               63             6              64            6                0.918134
               63             6              71            1                0.931578
               63             6              72            1                0.938291
               64             6              73            1                0.935356
               64             6              74            1                0.935688
               75             6              76            6                0.923070
               75             6              79            6                0.913631
               75             6              80            1                0.936687
               75             6              81            1                0.941050
               76             6              77            6                0.929273
               76             6              82            1                0.942434
               76             6              83            1                0.940887
               77             6              78            6                0.924409
               77             6              84            1                0.936898
               77             6              85            1                0.938809
               78             6              79            6                0.913874
               78             6              86            1                0.917173
               78             6              87            1                0.934913
               79             6              88            1                0.947917
               79             6              89            1                0.939693
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2225602849
        Correlation Energy:       -5.0665881934
        Total MP2 Energy:      -1176.2891484783
# -----------------------------------------------------------
$ 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) :        0.2616984342
        Electronic Contribution:
                  0    
      0       0.413413
      1       0.055663
      2      -0.141340
        Nuclear Contribution:
                  0    
      0      -0.393636
      1      -0.072301
      2       0.241002
        Total Dipole moment:
                  0    
      0       0.019776
      1      -0.016638
      2       0.099662
# -----------------------------------------------------------
$ 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) :        0.2646822569
        Electronic Contribution:
                  0    
      0       0.412646
      1       0.055583
      2      -0.139994
        Nuclear Contribution:
                  0    
      0      -0.393636
      1      -0.072301
      2       0.241002
        Total Dipole moment:
                  0    
      0       0.019010
      1      -0.016717
      2       0.101008
# -----------------------------------------------------------
$ 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) :        0.2851351025
        Electronic Contribution:
                  0    
      0       0.400021
      1       0.046123
      2      -0.132107
        Nuclear Contribution:
                  0    
      0      -0.393636
      1      -0.072301
      2       0.241002
        Total Dipole moment:
                  0    
      0       0.006385
      1      -0.026178
      2       0.108894
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     18.030000000000   18.350000000000   15.460000000000
               1 C     18.900000000000   18.190000000000   14.210000000000
               2 C     18.840000000000   19.590000000000   13.530000000000
               3 C     18.070000000000   20.600000000000   14.420000000000
               4 C     17.390000000000   19.780000000000   15.520000000000
               5 H     18.580000000000   18.190000000000   16.360000000000
               6 H     17.270000000000   17.600000000000   15.460000000000
               7 H     18.470000000000   17.430000000000   13.560000000000
               8 H     19.940000000000   17.970000000000   14.440000000000
               9 H     18.220000000000   19.380000000000   12.630000000000
              10 H     19.830000000000   20.010000000000   13.260000000000
              11 H     17.310000000000   21.030000000000   13.770000000000
              12 H     18.640000000000   21.360000000000   14.840000000000
              13 H     16.280000000000   19.590000000000   15.280000000000
              14 H     17.290000000000   20.270000000000   16.430000000000
              15 C     21.000000000000   21.590000000000   17.060000000000
              16 C     20.670000000000   23.070000000000   17.410000000000
              17 C     20.310000000000   23.680000000000   16.040000000000
              18 C     21.270000000000   23.070000000000   15.050000000000
              19 C     21.780000000000   21.730000000000   15.730000000000
              20 H     20.080000000000   20.970000000000   17.010000000000
              21 H     21.590000000000   21.180000000000   17.900000000000
              22 H     21.470000000000   23.670000000000   17.920000000000
              23 H     19.750000000000   23.050000000000   18.030000000000
              24 H     20.500000000000   24.760000000000   16.130000000000
              25 H     19.250000000000   23.520000000000   15.720000000000
              26 H     22.100000000000   23.720000000000   14.730000000000
              27 H     20.710000000000   22.840000000000   14.150000000000
              28 H     22.760000000000   21.800000000000   16.030000000000
              29 H     21.770000000000   20.910000000000   15.070000000000
              30 C     15.550000000000   20.810000000000   18.570000000000
              31 C     16.350000000000   22.160000000000   18.520000000000
              32 C     15.460000000000   23.140000000000   17.580000000000
              33 C     14.380000000000   22.330000000000   16.960000000000
              34 C     14.510000000000   20.800000000000   17.420000000000
              35 H     15.070000000000   20.660000000000   19.510000000000
              36 H     16.260000000000   20.010000000000   18.350000000000
              37 H     17.350000000000   21.940000000000   18.070000000000
              38 H     16.580000000000   22.550000000000   19.540000000000
              39 H     16.030000000000   23.680000000000   16.790000000000
              40 H     15.060000000000   23.920000000000   18.270000000000
              41 H     14.320000000000   22.270000000000   15.920000000000
              42 H     13.490000000000   22.830000000000   17.300000000000
              43 H     14.760000000000   20.120000000000   16.590000000000
              44 H     13.610000000000   20.410000000000   17.850000000000
              45 C     24.510000000000   21.600000000000   21.530000000000
              46 C     24.980000000000   23.000000000000   21.840000000000
              47 C     23.980000000000   24.000000000000   21.270000000000
              48 C     23.250000000000   23.240000000000   20.170000000000
              49 C     23.610000000000   21.780000000000   20.310000000000
              50 H     23.970000000000   21.230000000000   22.340000000000
              51 H     25.350000000000   20.930000000000   21.420000000000
              52 H     26.000000000000   23.160000000000   21.560000000000
              53 H     24.900000000000   23.130000000000   22.940000000000
              54 H     24.430000000000   24.880000000000   20.860000000000
              55 H     23.350000000000   24.370000000000   22.090000000000
              56 H     23.610000000000   23.590000000000   19.210000000000
              57 H     22.180000000000   23.450000000000   20.050000000000
              58 H     24.130000000000   21.390000000000   19.420000000000
              59 H     22.660000000000   21.210000000000   20.450000000000
              60 C     20.170000000000   29.070000000000   20.080000000000
              61 C     18.770000000000   28.750000000000   19.780000000000
              62 C     18.730000000000   27.800000000000   18.660000000000
              63 C     20.140000000000   27.230000000000   18.580000000000
              64 C     21.020000000000   27.870000000000   19.680000000000
              65 H     20.360000000000   29.190000000000   21.170000000000
              66 H     20.420000000000   30.070000000000   19.680000000000
              67 H     18.360000000000   29.670000000000   19.450000000000
              68 H     18.270000000000   28.310000000000   20.660000000000
              69 H     18.560000000000   28.200000000000   17.630000000000
              70 H     17.960000000000   27.060000000000   18.900000000000
              71 H     20.650000000000   27.410000000000   17.610000000000
              72 H     20.100000000000   26.150000000000   18.780000000000
              73 H     21.950000000000   28.240000000000   19.290000000000
              74 H     21.130000000000   27.200000000000   20.560000000000
              75 C     18.460000000000   28.610000000000   14.080000000000
              76 C     19.110000000000   28.310000000000   12.710000000000
              77 C     19.840000000000   26.980000000000   12.730000000000
              78 C     19.350000000000   26.220000000000   13.970000000000
              79 C     18.860000000000   27.360000000000   14.890000000000
              80 H     17.390000000000   28.790000000000   14.100000000000
              81 H     18.920000000000   29.460000000000   14.580000000000
              82 H     19.860000000000   29.040000000000   12.460000000000
              83 H     18.400000000000   28.310000000000   11.910000000000
              84 H     20.920000000000   27.150000000000   12.650000000000
              85 H     19.610000000000   26.390000000000   11.840000000000
              86 H     20.080000000000   25.490000000000   14.480000000000
              87 H     18.500000000000   25.520000000000   13.750000000000
              88 H     19.680000000000   27.610000000000   15.550000000000
              89 H     18.050000000000   27.090000000000   15.520000000000
