-------------------------------------------------------------
----------------------- !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:    -1171.1912313593
# -----------------------------------------------------------
$ 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     6.1447     6.0000    -0.1447     3.8389     3.8389    -0.0000
  1   0     6.1962     6.0000    -0.1962     3.9183     3.9183    -0.0000
  2   0     6.2024     6.0000    -0.2024     3.8723     3.8723    -0.0000
  3   0     6.1462     6.0000    -0.1462     3.8856     3.8856    -0.0000
  4   0     6.1699     6.0000    -0.1699     3.8956     3.8956    -0.0000
  5   0     0.9220     1.0000     0.0780     0.9779     0.9779    -0.0000
  6   0     0.9034     1.0000     0.0966     0.9599     0.9599    -0.0000
  7   0     0.9083     1.0000     0.0917     0.9721     0.9721    -0.0000
  8   0     0.9011     1.0000     0.0989     0.9692     0.9692     0.0000
  9   0     0.9350     1.0000     0.0650     0.9763     0.9763    -0.0000
 10   0     0.9032     1.0000     0.0968     0.9722     0.9722    -0.0000
 11   0     0.9084     1.0000     0.0916     0.9754     0.9754     0.0000
 12   0     0.9255     1.0000     0.0745     0.9744     0.9744     0.0000
 13   0     0.8997     1.0000     0.1003     0.9717     0.9717     0.0000
 14   0     0.9030     1.0000     0.0970     0.9645     0.9645    -0.0000
 15   0     6.1481     6.0000    -0.1481     3.8862     3.8862    -0.0000
 16   0     6.1634     6.0000    -0.1634     3.8987     3.8987    -0.0000
 17   0     6.1593     6.0000    -0.1593     3.8747     3.8747    -0.0000
 18   0     6.0765     6.0000    -0.0765     3.9021     3.9021    -0.0000
 19   0     6.2082     6.0000    -0.2082     3.9123     3.9123     0.0000
 20   0     0.9176     1.0000     0.0824     0.9761     0.9761    -0.0000
 21   0     0.9270     1.0000     0.0730     0.9745     0.9745    -0.0000
 22   0     0.9200     1.0000     0.0800     0.9726     0.9726     0.0000
 23   0     0.9193     1.0000     0.0807     0.9770     0.9770    -0.0000
 24   0     0.9579     1.0000     0.0421     0.9881     0.9881    -0.0000
 25   0     0.9174     1.0000     0.0826     0.9780     0.9780    -0.0000
 26   0     0.9466     1.0000     0.0534     0.9749     0.9749    -0.0000
 27   0     0.9160     1.0000     0.0840     0.9741     0.9741    -0.0000
 28   0     0.9210     1.0000     0.0790     0.9741     0.9741     0.0000
 29   0     0.9089     1.0000     0.0911     0.9734     0.9734    -0.0000
 30   0     6.1312     6.0000    -0.1312     3.9227     3.9227     0.0000
 31   0     6.1474     6.0000    -0.1474     3.8939     3.8939     0.0000
 32   0     6.1716     6.0000    -0.1716     3.8818     3.8818     0.0000
 33   0     6.1444     6.0000    -0.1444     3.8813     3.8813    -0.0000
 34   0     6.1829     6.0000    -0.1829     3.9071     3.9071     0.0000
 35   0     0.9128     1.0000     0.0872     0.9832     0.9832     0.0000
 36   0     0.9131     1.0000     0.0869     0.9775     0.9775     0.0000
 37   0     0.9754     1.0000     0.0246     0.9992     0.9992     0.0000
 38   0     0.9151     1.0000     0.0849     0.9745     0.9745     0.0000
 39   0     0.9219     1.0000     0.0781     0.9690     0.9690     0.0000
 40   0     0.9341     1.0000     0.0659     0.9825     0.9825     0.0000
 41   0     0.9211     1.0000     0.0789     0.9783     0.9783     0.0000
 42   0     0.9054     1.0000     0.0946     0.9752     0.9752    -0.0000
 43   0     0.9117     1.0000     0.0883     0.9729     0.9729     0.0000
 44   0     0.9205     1.0000     0.0795     0.9760     0.9760     0.0000
 45   0     6.2056     6.0000    -0.2056     3.8882     3.8882     0.0000
 46   0     6.1513     6.0000    -0.1513     3.8835     3.8835     0.0000
 47   0     6.1552     6.0000    -0.1552     3.8788     3.8788     0.0000
 48   0     6.2233     6.0000    -0.2233     3.9250     3.9250     0.0000
 49   0     6.0517     6.0000    -0.0517     3.8593     3.8593     0.0000
 50   0     0.9038     1.0000     0.0962     0.9765     0.9765     0.0000
 51   0     0.9364     1.0000     0.0636     0.9754     0.9754    -0.0000
 52   0     0.9175     1.0000     0.0825     0.9789     0.9789    -0.0000
 53   0     0.9272     1.0000     0.0728     0.9847     0.9847    -0.0000
 54   0     0.9252     1.0000     0.0748     0.9782     0.9782     0.0000
 55   0     0.8969     1.0000     0.1031     0.9706     0.9706     0.0000
 56   0     0.9051     1.0000     0.0949     0.9663     0.9663     0.0000
 57   0     0.9107     1.0000     0.0893     0.9787     0.9787     0.0000
 58   0     0.9899     1.0000     0.0101     1.0278     1.0278    -0.0000
 59   0     0.9137     1.0000     0.0863     0.9784     0.9784     0.0000
 60   0     6.1901     6.0000    -0.1901     3.8445     3.8445     0.0000
 61   0     6.1941     6.0000    -0.1941     3.8590     3.8590     0.0000
 62   0     6.1721     6.0000    -0.1721     3.8987     3.8987    -0.0000
 63   0     6.1473     6.0000    -0.1473     3.8866     3.8866    -0.0000
 64   0     6.1664     6.0000    -0.1664     3.9018     3.9018     0.0000
 65   0     0.9134     1.0000     0.0866     0.9711     0.9711    -0.0000
 66   0     0.9237     1.0000     0.0763     0.9721     0.9721     0.0000
 67   0     0.9089     1.0000     0.0911     0.9661     0.9661     0.0000
 68   0     0.9079     1.0000     0.0921     0.9695     0.9695     0.0000
 69   0     0.9141     1.0000     0.0859     0.9765     0.9765    -0.0000
 70   0     0.9066     1.0000     0.0934     0.9753     0.9753     0.0000
 71   0     0.9196     1.0000     0.0804     0.9793     0.9793    -0.0000
 72   0     0.9143     1.0000     0.0857     0.9737     0.9737    -0.0000
 73   0     0.9143     1.0000     0.0857     0.9766     0.9766     0.0000
 74   0     0.9037     1.0000     0.0963     0.9792     0.9792    -0.0000
 75   0     6.1751     6.0000    -0.1751     3.8807     3.8807    -0.0000
 76   0     6.1747     6.0000    -0.1747     3.8753     3.8753    -0.0000
 77   0     6.2109     6.0000    -0.2109     3.8907     3.8907     0.0000
 78   0     6.0866     6.0000    -0.0866     3.8278     3.8278     0.0000
 79   0     6.1907     6.0000    -0.1907     3.9029     3.9029    -0.0000
 80   0     0.9113     1.0000     0.0887     0.9762     0.9762    -0.0000
 81   0     0.8999     1.0000     0.1001     0.9702     0.9702    -0.0000
 82   0     0.9088     1.0000     0.0912     0.9758     0.9758    -0.0000
 83   0     0.9064     1.0000     0.0936     0.9762     0.9762    -0.0000
 84   0     0.9124     1.0000     0.0876     0.9682     0.9682     0.0000
 85   0     0.9127     1.0000     0.0873     0.9749     0.9749     0.0000
 86   0     0.9728     1.0000     0.0272     1.0046     1.0046     0.0000
 87   0     0.9143     1.0000     0.0857     0.9767     0.9767     0.0000
 88   0     0.9223     1.0000     0.0777     0.9730     0.9730    -0.0000
 89   0     0.9063     1.0000     0.0937     0.9744     0.9744    -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                0.971216
                0             6               4            6                0.956534
                0             6               5            1                0.993334
                0             6               6            1                0.980096
                1             6               2            6                0.978913
                1             6               7            1                0.994915
                1             6               8            1                0.996045
                2             6               3            6                0.969152
                2             6               9            1                0.985826
                2             6              10            1                0.992354
                3             6               4            6                0.975011
                3             6              11            1                0.982751
                3             6              12            1                1.002536
                4             6              13            1                0.986842
                4             6              14            1                0.998758
               15             6              16            6                0.975928
               15             6              19            6                0.968476
               15             6              20            1                0.989333
               15             6              21            1                0.996820
               16             6              17            6                0.960225
               16             6              22            1                0.989486
               16             6              23            1                0.993210
               17             6              18            6                0.967309
               17             6              24            1                0.993820
               17             6              25            1                0.995372
               18             6              19            6                0.973214
               18             6              26            1                0.996665
               18             6              27            1                0.988589
               19             6              28            1                0.997505
               19             6              29            1                0.986147
               30             6              31            6                0.973110
               30             6              34            6                0.982633
               30             6              35            1                0.992756
               30             6              36            1                0.988413
               31             6              32            6                0.970126
               31             6              37            1                1.000641
               31             6              38            1                0.997238
               32             6              33            6                0.966165
               32             6              39            1                0.989686
               32             6              40            1                0.984411
               33             6              34            6                0.976047
               33             6              41            1                0.989393
               33             6              42            1                0.988642
               34             6              43            1                0.990256
               34             6              44            1                0.996010
               45             6              46            6                0.960913
               45             6              49            6                0.966284
               45             6              50            1                0.985214
               45             6              51            1                1.001457
               46             6              47            6                0.969260
               46             6              52            1                0.987102
               46             6              53            1                0.996880
               47             6              48            6                0.961929
               47             6              54            1                0.993162
               47             6              55            1                0.987037
               48             6              49            6                0.973331
               48             6              56            1                0.999273
               48             6              57            1                0.987952
               49             6              58            1                0.992656
               49             6              59            1                0.981107
               60             6              61            6                0.937986
               60             6              64            6                0.967741
               60             6              65            1                0.999138
               60             6              66            1                0.993902
               61             6              62            6                0.968259
               61             6              67            1                0.988050
               61             6              68            1                0.993585
               62             6              63            6                0.972754
               62             6              69            1                0.992080
               62             6              70            1                0.987557
               63             6              64            6                0.973821
               63             6              71            1                0.994356
               63             6              72            1                0.986747
               64             6              73            1                0.989469
               64             6              74            1                0.985982
               75             6              76            6                0.968117
               75             6              79            6                0.966978
               75             6              80            1                0.993653
               75             6              81            1                0.986631
               76             6              77            6                0.967685
               76             6              82            1                0.987173
               76             6              83            1                0.992092
               77             6              78            6                0.955398
               77             6              84            1                0.995993
               77             6              85            1                0.991728
               78             6              79            6                0.956236
               78             6              86            1                0.994429
               78             6              87            1                0.993010
               79             6              88            1                0.998393
               79             6              89            1                0.995324
# -----------------------------------------------------------
$ 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     6.1539     6.0000    -0.1539     3.9534     3.6324     0.3210
  1   0     6.2045     6.0000    -0.2045     4.0321     3.7032     0.3289
  2   0     6.2094     6.0000    -0.2094     3.9865     3.6524     0.3341
  3   0     6.1546     6.0000    -0.1546     3.9970     3.6691     0.3279
  4   0     6.1786     6.0000    -0.1786     4.0086     3.6853     0.3233
  5   0     0.9174     1.0000     0.0826     0.9867     0.9346     0.0521
  6   0     0.8992     1.0000     0.1008     0.9688     0.9175     0.0513
  7   0     0.9043     1.0000     0.0957     0.9813     0.9289     0.0524
  8   0     0.8971     1.0000     0.1029     0.9781     0.9241     0.0540
  9   0     0.9314     1.0000     0.0686     0.9875     0.9313     0.0562
 10   0     0.8989     1.0000     0.1011     0.9809     0.9281     0.0528
 11   0     0.9043     1.0000     0.0957     0.9843     0.9325     0.0518
 12   0     0.9214     1.0000     0.0786     0.9844     0.9296     0.0548
 13   0     0.8952     1.0000     0.1048     0.9800     0.9311     0.0489
 14   0     0.8986     1.0000     0.1014     0.9732     0.9242     0.0490
 15   0     6.1555     6.0000    -0.1555     3.9923     3.6762     0.3161
 16   0     6.1712     6.0000    -0.1712     4.0073     3.6872     0.3201
 17   0     6.1659     6.0000    -0.1659     3.9819     3.6671     0.3148
 18   0     6.0854     6.0000    -0.0854     4.0070     3.6920     0.3150
 19   0     6.2163     6.0000    -0.2163     4.0240     3.6978     0.3262
 20   0     0.9138     1.0000     0.0862     0.9856     0.9346     0.0510
 21   0     0.9232     1.0000     0.0768     0.9843     0.9325     0.0518
 22   0     0.9162     1.0000     0.0838     0.9822     0.9256     0.0566
 23   0     0.9155     1.0000     0.0845     0.9865     0.9349     0.0516
 24   0     0.9547     1.0000     0.0453     1.0003     0.9444     0.0559
 25   0     0.9133     1.0000     0.0867     0.9872     0.9348     0.0524
 26   0     0.9425     1.0000     0.0575     0.9850     0.9293     0.0557
 27   0     0.9117     1.0000     0.0883     0.9833     0.9336     0.0497
 28   0     0.9170     1.0000     0.0830     0.9834     0.9317     0.0517
 29   0     0.9050     1.0000     0.0950     0.9825     0.9294     0.0531
 30   0     6.1392     6.0000    -0.1392     4.0293     3.7090     0.3203
 31   0     6.1555     6.0000    -0.1555     4.0045     3.6781     0.3264
 32   0     6.1788     6.0000    -0.1788     3.9921     3.6661     0.3260
 33   0     6.1523     6.0000    -0.1523     3.9906     3.6668     0.3238
 34   0     6.1908     6.0000    -0.1908     4.0167     3.6907     0.3260
 35   0     0.9090     1.0000     0.0910     0.9922     0.9424     0.0498
 36   0     0.9092     1.0000     0.0908     0.9866     0.9354     0.0512
 37   0     0.9716     1.0000     0.0284     1.0111     0.9533     0.0578
 38   0     0.9109     1.0000     0.0891     0.9835     0.9341     0.0494
 39   0     0.9179     1.0000     0.0821     0.9785     0.9265     0.0520
 40   0     0.9297     1.0000     0.0703     0.9920     0.9375     0.0545
 41   0     0.9174     1.0000     0.0826     0.9879     0.9321     0.0558
 42   0     0.9015     1.0000     0.0985     0.9841     0.9339     0.0502
 43   0     0.9079     1.0000     0.0921     0.9821     0.9288     0.0533
 44   0     0.9167     1.0000     0.0833     0.9855     0.9308     0.0547
 45   0     6.2126     6.0000    -0.2126     3.9999     3.6692     0.3307
 46   0     6.1597     6.0000    -0.1597     3.9947     3.6673     0.3274
 47   0     6.1623     6.0000    -0.1623     3.9869     3.6691     0.3178
 48   0     6.2311     6.0000    -0.2311     4.0376     3.7116     0.3260
 49   0     6.0595     6.0000    -0.0595     3.9643     3.6404     0.3239
 50   0     0.8999     1.0000     0.1001     0.9855     0.9329     0.0526
 51   0     0.9326     1.0000     0.0674     0.9859     0.9308     0.0551
 52   0     0.9136     1.0000     0.0864     0.9884     0.9353     0.0531
 53   0     0.9232     1.0000     0.0768     0.9944     0.9439     0.0505
 54   0     0.9215     1.0000     0.0785     0.9881     0.9347     0.0534
 55   0     0.8931     1.0000     0.1069     0.9793     0.9286     0.0507
 56   0     0.9012     1.0000     0.0988     0.9754     0.9237     0.0517
 57   0     0.9068     1.0000     0.0932     0.9880     0.9355     0.0525
 58   0     0.9863     1.0000     0.0137     1.0401     0.9813     0.0588
 59   0     0.9097     1.0000     0.0903     0.9877     0.9367     0.0510
 60   0     6.1984     6.0000    -0.1984     3.9613     3.6275     0.3338
 61   0     6.2018     6.0000    -0.2018     3.9734     3.6375     0.3359
 62   0     6.1794     6.0000    -0.1794     4.0085     3.6806     0.3279
 63   0     6.1547     6.0000    -0.1547     3.9950     3.6767     0.3183
 64   0     6.1735     6.0000    -0.1735     4.0110     3.6831     0.3279
 65   0     0.9093     1.0000     0.0907     0.9804     0.9290     0.0514
 66   0     0.9200     1.0000     0.0800     0.9823     0.9279     0.0544
 67   0     0.9052     1.0000     0.0948     0.9756     0.9206     0.0550
 68   0     0.9041     1.0000     0.0959     0.9790     0.9250     0.0540
 69   0     0.9105     1.0000     0.0895     0.9861     0.9325     0.0536
 70   0     0.9029     1.0000     0.0971     0.9844     0.9308     0.0536
 71   0     0.9156     1.0000     0.0844     0.9887     0.9396     0.0491
 72   0     0.9106     1.0000     0.0894     0.9833     0.9311     0.0522
 73   0     0.9107     1.0000     0.0893     0.9862     0.9339     0.0523
 74   0     0.9000     1.0000     0.1000     0.9882     0.9378     0.0504
 75   0     6.1826     6.0000    -0.1826     3.9921     3.6691     0.3230
 76   0     6.1824     6.0000    -0.1824     3.9885     3.6537     0.3348
 77   0     6.2185     6.0000    -0.2185     4.0041     3.6762     0.3279
 78   0     6.0934     6.0000    -0.0934     3.9330     3.6158     0.3172
 79   0     6.1986     6.0000    -0.1986     4.0150     3.6855     0.3295
 80   0     0.9072     1.0000     0.0928     0.9852     0.9335     0.0517
 81   0     0.8962     1.0000     0.1038     0.9792     0.9271     0.0521
 82   0     0.9052     1.0000     0.0948     0.9852     0.9310     0.0542
 83   0     0.9026     1.0000     0.0974     0.9854     0.9347     0.0507
 84   0     0.9087     1.0000     0.0913     0.9777     0.9250     0.0527
 85   0     0.9088     1.0000     0.0912     0.9842     0.9330     0.0512
 86   0     0.9701     1.0000     0.0299     1.0177     0.9609     0.0568
 87   0     0.9103     1.0000     0.0897     0.9858     0.9341     0.0517
 88   0     0.9186     1.0000     0.0814     0.9829     0.9272     0.0557
 89   0     0.9025     1.0000     0.0975     0.9835     0.9319     0.0516
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.911744
                0             6               4            6                0.895227
                0             6               5            1                0.951473
                0             6               6            1                0.938966
                1             6               2            6                0.912942
                1             6               7            1                0.952933
                1             6               8            1                0.952327
                2             6               3            6                0.905729
                2             6               9            1                0.941735
                2             6              10            1                0.949250
                3             6               4            6                0.909722
                3             6              11            1                0.941378
                3             6              12            1                0.958799
                4             6              13            1                0.947494
                4             6              14            1                0.958775
               15             6              16            6                0.914365
               15             6              19            6                0.903800
               15             6              20            1                0.949185
               15             6              21            1                0.955869
               16             6              17            6                0.900305
               16             6              22            1                0.943952
               16             6              23            1                0.952579
               17             6              18            6                0.907632
               17             6              24            1                0.951237
               17             6              25            1                0.953633
               18             6              19            6                0.910787
               18             6              26            1                0.951864
               18             6              27            1                0.949483
               19             6              28            1                0.956117
               19             6              29            1                0.943717
               30             6              31            6                0.907378
               30             6              34            6                0.918918
               30             6              35            1                0.953321
               30             6              36            1                0.947550
               31             6              32            6                0.906983
               31             6              37            1                0.955542
               31             6              38            1                0.957609
               32             6              33            6                0.902615
               32             6              39            1                0.947825
               32             6              40            1                0.940649
               33             6              34            6                0.912920
               33             6              41            1                0.944634
               33             6              42            1                0.948763
               34             6              43            1                0.947571
               34             6              44            1                0.952117
               45             6              46            6                0.893915
               45             6              49            6                0.902559
               45             6              50            1                0.943418
               45             6              51            1                0.957723
               46             6              47            6                0.905443
               46             6              52            1                0.944871
               46             6              53            1                0.957280
               47             6              48            6                0.902278
               47             6              54            1                0.950880
               47             6              55            1                0.946618
               48             6              49            6                0.907269
               48             6              56            1                0.957529
               48             6              57            1                0.946438
               49             6              58            1                0.947722
               49             6              59            1                0.940769
               60             6              61            6                0.875243
               60             6              64            6                0.899993
               60             6              65            1                0.958094
               60             6              66            1                0.950840
               61             6              62            6                0.901450
               61             6              67            1                0.943541
               61             6              68            1                0.950190
               62             6              63            6                0.911172
               62             6              69            1                0.949420
               62             6              70            1                0.944671
               63             6              64            6                0.908490
               63             6              71            1                0.955912
               63             6              72            1                0.945590
               64             6              73            1                0.948028
               64             6              74            1                0.946152
               75             6              76            6                0.903905
               75             6              79            6                0.906424
               75             6              80            1                0.952287
               75             6              81            1                0.944966
               76             6              77            6                0.897158
               76             6              82            1                0.943764
               76             6              83            1                0.951924
               77             6              78            6                0.897227
               77             6              84            1                0.953827
               77             6              85            1                0.951269
               78             6              79            6                0.889113
               78             6              86            1                0.951981
               78             6              87            1                0.951428
               79             6              88            1                0.953668
               79             6              89            1                0.954208
# -----------------------------------------------------------
$ 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     6.2054     6.0000    -0.2054     3.9472     3.6309     0.3163
  1   0     6.2489     6.0000    -0.2489     4.0133     3.6891     0.3242
  2   0     6.2443     6.0000    -0.2443     3.9771     3.6481     0.3290
  3   0     6.1990     6.0000    -0.1990     3.9775     3.6542     0.3233
  4   0     6.2362     6.0000    -0.2362     3.9919     3.6727     0.3192
  5   0     0.8900     1.0000     0.1100     0.9773     0.9266     0.0507
  6   0     0.8781     1.0000     0.1219     0.9690     0.9189     0.0501
  7   0     0.8806     1.0000     0.1194     0.9753     0.9242     0.0511
  8   0     0.8757     1.0000     0.1243     0.9709     0.9180     0.0529
  9   0     0.9115     1.0000     0.0885     0.9825     0.9276     0.0549
 10   0     0.8748     1.0000     0.1252     0.9717     0.9202     0.0515
 11   0     0.8819     1.0000     0.1181     0.9774     0.9267     0.0507
 12   0     0.8956     1.0000     0.1044     0.9799     0.9265     0.0534
 13   0     0.8783     1.0000     0.1217     0.9787     0.9310     0.0477
 14   0     0.8758     1.0000     0.1242     0.9682     0.9205     0.0477
 15   0     6.2073     6.0000    -0.2073     3.9746     3.6624     0.3122
 16   0     6.2122     6.0000    -0.2122     3.9913     3.6758     0.3155
 17   0     6.2234     6.0000    -0.2234     3.9781     3.6677     0.3104
 18   0     6.1463     6.0000    -0.1463     3.9882     3.6771     0.3111
 19   0     6.2578     6.0000    -0.2578     3.9966     3.6748     0.3218
 20   0     0.8900     1.0000     0.1100     0.9784     0.9284     0.0500
 21   0     0.8977     1.0000     0.1023     0.9774     0.9267     0.0507
 22   0     0.8924     1.0000     0.1076     0.9750     0.9195     0.0555
 23   0     0.8915     1.0000     0.1085     0.9781     0.9275     0.0506
 24   0     0.9179     1.0000     0.0821     0.9931     0.9387     0.0544
 25   0     0.8899     1.0000     0.1101     0.9776     0.9262     0.0514
 26   0     0.9125     1.0000     0.0875     0.9831     0.9289     0.0542
 27   0     0.8911     1.0000     0.1089     0.9769     0.9282     0.0487
 28   0     0.8894     1.0000     0.1106     0.9766     0.9261     0.0505
 29   0     0.8838     1.0000     0.1162     0.9762     0.9240     0.0522
 30   0     6.1874     6.0000    -0.1874     4.0084     3.6920     0.3164
 31   0     6.2237     6.0000    -0.2237     3.9864     3.6643     0.3221
 32   0     6.2264     6.0000    -0.2264     3.9725     3.6514     0.3211
 33   0     6.2011     6.0000    -0.2011     3.9719     3.6525     0.3194
 34   0     6.2369     6.0000    -0.2369     4.0036     3.6821     0.3215
 35   0     0.8870     1.0000     0.1130     0.9844     0.9356     0.0488
 36   0     0.8881     1.0000     0.1119     0.9804     0.9302     0.0502
 37   0     0.9323     1.0000     0.0677     1.0006     0.9444     0.0562
 38   0     0.8834     1.0000     0.1166     0.9767     0.9285     0.0482
 39   0     0.8974     1.0000     0.1026     0.9788     0.9280     0.0508
 40   0     0.9000     1.0000     0.1000     0.9816     0.9285     0.0531
 41   0     0.8910     1.0000     0.1090     0.9785     0.9239     0.0546
 42   0     0.8794     1.0000     0.1206     0.9782     0.9290     0.0492
 43   0     0.8851     1.0000     0.1149     0.9750     0.9227     0.0523
 44   0     0.8913     1.0000     0.1087     0.9771     0.9235     0.0536
 45   0     6.2547     6.0000    -0.2547     3.9749     3.6489     0.3260
 46   0     6.2111     6.0000    -0.2111     3.9677     3.6444     0.3233
 47   0     6.2062     6.0000    -0.2062     3.9751     3.6617     0.3134
 48   0     6.2727     6.0000    -0.2727     4.0195     3.6980     0.3215
 49   0     6.1347     6.0000    -0.1347     3.9568     3.6368     0.3200
 50   0     0.8772     1.0000     0.1228     0.9773     0.9257     0.0516
 51   0     0.9032     1.0000     0.0968     0.9818     0.9280     0.0538
 52   0     0.8879     1.0000     0.1121     0.9832     0.9314     0.0518
 53   0     0.8981     1.0000     0.1019     0.9845     0.9350     0.0495
 54   0     0.8960     1.0000     0.1040     0.9814     0.9291     0.0523
 55   0     0.8744     1.0000     0.1256     0.9738     0.9240     0.0498
 56   0     0.8772     1.0000     0.1228     0.9699     0.9193     0.0506
 57   0     0.8835     1.0000     0.1165     0.9777     0.9263     0.0514
 58   0     0.9439     1.0000     0.0561     1.0316     0.9746     0.0570
 59   0     0.8890     1.0000     0.1110     0.9800     0.9300     0.0500
 60   0     6.2464     6.0000    -0.2464     3.9543     3.6250     0.3293
 61   0     6.2394     6.0000    -0.2394     3.9615     3.6303     0.3312
 62   0     6.2227     6.0000    -0.2227     3.9912     3.6677     0.3235
 63   0     6.2115     6.0000    -0.2115     3.9923     3.6780     0.3143
 64   0     6.2153     6.0000    -0.2153     3.9884     3.6644     0.3240
 65   0     0.8872     1.0000     0.1128     0.9734     0.9231     0.0503
 66   0     0.8932     1.0000     0.1068     0.9762     0.9231     0.0531
 67   0     0.8824     1.0000     0.1176     0.9723     0.9186     0.0537
 68   0     0.8850     1.0000     0.1150     0.9729     0.9199     0.0530
 69   0     0.8869     1.0000     0.1131     0.9793     0.9268     0.0525
 70   0     0.8811     1.0000     0.1189     0.9754     0.9227     0.0527
 71   0     0.8887     1.0000     0.1113     0.9784     0.9304     0.0480
 72   0     0.8877     1.0000     0.1123     0.9749     0.9237     0.0512
 73   0     0.8876     1.0000     0.1124     0.9794     0.9281     0.0513
 74   0     0.8792     1.0000     0.1208     0.9796     0.9301     0.0495
 75   0     6.2372     6.0000    -0.2372     3.9915     3.6728     0.3187
 76   0     6.2250     6.0000    -0.2250     3.9681     3.6374     0.3307
 77   0     6.2606     6.0000    -0.2606     3.9890     3.6656     0.3234
 78   0     6.1621     6.0000    -0.1621     3.9394     3.6264     0.3130
 79   0     6.2389     6.0000    -0.2389     3.9910     3.6658     0.3252
 80   0     0.8833     1.0000     0.1167     0.9757     0.9251     0.0506
 81   0     0.8733     1.0000     0.1267     0.9736     0.9226     0.0510
 82   0     0.8828     1.0000     0.1172     0.9774     0.9242     0.0532
 83   0     0.8809     1.0000     0.1191     0.9770     0.9273     0.0497
 84   0     0.8835     1.0000     0.1165     0.9721     0.9205     0.0516
 85   0     0.8841     1.0000     0.1159     0.9752     0.9251     0.0501
 86   0     0.9363     1.0000     0.0637     1.0098     0.9544     0.0554
 87   0     0.8847     1.0000     0.1153     0.9766     0.9260     0.0506
 88   0     0.8938     1.0000     0.1062     0.9764     0.9219     0.0545
 89   0     0.8795     1.0000     0.1205     0.9749     0.9243     0.0506
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.925821
                0             6               4            6                0.901396
                0             6               5            1                0.935997
                0             6               6            1                0.925393
                1             6               2            6                0.918703
                1             6               7            1                0.936728
                1             6               8            1                0.932542
                2             6               3            6                0.920876
                2             6               9            1                0.922240
                2             6              10            1                0.932989
                3             6               4            6                0.910857
                3             6              11            1                0.926825
                3             6              12            1                0.942509
                4             6              13            1                0.931758
                4             6              14            1                0.946189
               15             6              16            6                0.925649
               15             6              19            6                0.905128
               15             6              20            1                0.937672
               15             6              21            1                0.944899
               16             6              17            6                0.917774
               16             6              22            1                0.926510
               16             6              23            1                0.938940
               17             6              18            6                0.919858
               17             6              24            1                0.939006
               17             6              25            1                0.932720
               18             6              19            6                0.918072
               18             6              26            1                0.936576
               18             6              27            1                0.934324
               19             6              28            1                0.946893
               19             6              29            1                0.928984
               30             6              31            6                0.912595
               30             6              34            6                0.927912
               30             6              35            1                0.941082
               30             6              36            1                0.935223
               31             6              32            6                0.906818
               31             6              37            1                0.941284
               31             6              38            1                0.948535
               32             6              33            6                0.909741
               32             6              39            1                0.934588
               32             6              40            1                0.929879
               33             6              34            6                0.925427
               33             6              41            1                0.927091
               33             6              42            1                0.937624
               34             6              43            1                0.933537
               34             6              44            1                0.936345
               45             6              46            6                0.896042
               45             6              49            6                0.909394
               45             6              50            1                0.929543
               45             6              51            1                0.947752
               46             6              47            6                0.912589
               46             6              52            1                0.931880
               46             6              53            1                0.944195
               47             6              48            6                0.916703
               47             6              54            1                0.938827
               47             6              55            1                0.931310
               48             6              49            6                0.914960
               48             6              56            1                0.945455
               48             6              57            1                0.929775
               49             6              58            1                0.937114
               49             6              59            1                0.928011
               60             6              61            6                0.891182
               60             6              64            6                0.903469
               60             6              65            1                0.945416
               60             6              66            1                0.937647
               61             6              62            6                0.905349
               61             6              67            1                0.928562
               61             6              68            1                0.935071
               62             6              63            6                0.926286
               62             6              69            1                0.936943
               62             6              70            1                0.928990
               63             6              64            6                0.915380
               63             6              71            1                0.944409
               63             6              72            1                0.932565
               64             6              73            1                0.936714
               64             6              74            1                0.933764
               75             6              76            6                0.913888
               75             6              79            6                0.920033
               75             6              80            1                0.937538
               75             6              81            1                0.932746
               76             6              77            6                0.900106
               76             6              82            1                0.929806
               76             6              83            1                0.940160
               77             6              78            6                0.913677
               77             6              84            1                0.941379
               77             6              85            1                0.938449
               78             6              79            6                0.896469
               78             6              86            1                0.941851
               78             6              87            1                0.938491
               79             6              88            1                0.937829
               79             6              89            1                0.939561
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1912313593
        Correlation Energy:       -5.0797573177
        Total MP2 Energy:      -1176.2709886770
# -----------------------------------------------------------
$ 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) :        0.1854730129
        Electronic Contribution:
                  0    
      0       0.194382
      1      -0.336850
      2       0.042140
        Nuclear Contribution:
                  0    
      0      -0.232968
      1       0.385603
      2      -0.080334
        Total Dipole moment:
                  0    
      0      -0.038587
      1       0.048752
      2      -0.038194
# -----------------------------------------------------------
$ 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) :        0.1870014588
        Electronic Contribution:
                  0    
      0       0.194268
      1      -0.336037
      2       0.042147
        Nuclear Contribution:
                  0    
      0      -0.232968
      1       0.385603
      2      -0.080334
        Total Dipole moment:
                  0    
      0      -0.038700
      1       0.049565
      2      -0.038186
# -----------------------------------------------------------
$ 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) :        0.2237805546
        Electronic Contribution:
                  0    
      0       0.194415
      1      -0.322285
      2       0.032841
        Nuclear Contribution:
                  0    
      0      -0.232968
      1       0.385603
      2      -0.080334
        Total Dipole moment:
                  0    
      0      -0.038554
      1       0.063318
      2      -0.047493
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     17.440000000000   17.040000000000   19.550000000000
               1 C     16.570000000000   17.350000000000   18.380000000000
               2 C     17.190000000000   18.660000000000   17.740000000000
               3 C     18.680000000000   18.580000000000   18.110000000000
               4 C     18.850000000000   17.500000000000   19.240000000000
               5 H     17.450000000000   15.950000000000   19.620000000000
               6 H     17.020000000000   17.450000000000   20.470000000000
               7 H     15.510000000000   17.520000000000   18.590000000000
               8 H     16.520000000000   16.460000000000   17.680000000000
               9 H     16.710000000000   19.560000000000   18.170000000000
              10 H     17.040000000000   18.860000000000   16.660000000000
              11 H     19.060000000000   19.560000000000   18.430000000000
              12 H     19.250000000000   18.230000000000   17.220000000000
              13 H     19.400000000000   17.830000000000   20.090000000000
              14 H     19.420000000000   16.680000000000   18.900000000000
              15 C     15.380000000000   15.110000000000   24.520000000000
              16 C     15.690000000000   14.680000000000   23.100000000000
              17 C     17.120000000000   15.060000000000   22.800000000000
              18 C     17.780000000000   15.310000000000   24.110000000000
              19 C     16.720000000000   15.500000000000   25.200000000000
              20 H     14.910000000000   14.340000000000   25.120000000000
              21 H     14.800000000000   16.020000000000   24.510000000000
              22 H     14.840000000000   15.170000000000   22.480000000000
              23 H     15.560000000000   13.610000000000   22.980000000000
              24 H     17.220000000000   15.920000000000   22.160000000000
              25 H     17.650000000000   14.390000000000   22.110000000000
              26 H     18.370000000000   16.260000000000   23.990000000000
              27 H     18.410000000000   14.500000000000   24.400000000000
              28 H     16.670000000000   16.550000000000   25.450000000000
              29 H     16.800000000000   14.910000000000   26.160000000000
              30 C     18.430000000000   21.030000000000   22.410000000000
              31 C     17.810000000000   19.580000000000   22.150000000000
              32 C     17.740000000000   18.790000000000   23.440000000000
              33 C     17.850000000000   19.860000000000   24.550000000000
              34 C     18.540000000000   21.110000000000   23.940000000000
              35 H     17.770000000000   21.820000000000   22.130000000000
              36 H     19.450000000000   21.110000000000   22.020000000000
              37 H     18.460000000000   18.970000000000   21.490000000000
              38 H     16.870000000000   19.610000000000   21.690000000000
              39 H     18.510000000000   18.030000000000   23.350000000000
              40 H     16.700000000000   18.390000000000   23.470000000000
              41 H     18.500000000000   19.350000000000   25.330000000000
              42 H     16.890000000000   20.050000000000   25.000000000000
              43 H     19.620000000000   21.240000000000   24.210000000000
              44 H     18.000000000000   22.000000000000   24.380000000000
              45 C     19.140000000000   14.770000000000   15.460000000000
              46 C     20.360000000000   14.740000000000   14.460000000000
              47 C     21.660000000000   15.080000000000   15.250000000000
              48 C     21.280000000000   15.260000000000   16.690000000000
              49 C     19.750000000000   14.850000000000   16.870000000000
              50 H     18.440000000000   13.940000000000   15.180000000000
              51 H     18.640000000000   15.730000000000   15.280000000000
              52 H     20.090000000000   15.430000000000   13.640000000000
              53 H     20.360000000000   13.730000000000   14.150000000000
              54 H     22.020000000000   16.080000000000   14.990000000000
              55 H     22.370000000000   14.310000000000   14.920000000000
              56 H     21.410000000000   16.290000000000   17.020000000000
              57 H     21.970000000000   14.720000000000   17.360000000000
              58 H     19.220000000000   15.660000000000   17.440000000000
              59 H     19.620000000000   13.850000000000   17.250000000000
              60 C     13.810000000000   20.200000000000   18.390000000000
              61 C     14.610000000000   21.110000000000   17.450000000000
              62 C     13.980000000000   20.890000000000   15.980000000000
              63 C     12.670000000000   20.110000000000   16.160000000000
              64 C     12.690000000000   19.360000000000   17.560000000000
              65 H     13.420000000000   20.860000000000   19.150000000000
              66 H     14.450000000000   19.530000000000   18.980000000000
              67 H     15.730000000000   20.920000000000   17.490000000000
              68 H     14.440000000000   22.070000000000   17.990000000000
              69 H     14.720000000000   20.310000000000   15.390000000000
              70 H     13.840000000000   21.870000000000   15.430000000000
              71 H     12.550000000000   19.390000000000   15.420000000000
              72 H     11.810000000000   20.790000000000   16.060000000000
              73 H     13.070000000000   18.340000000000   17.420000000000
              74 H     11.720000000000   19.350000000000   18.050000000000
              75 C     20.490000000000   18.350000000000   12.570000000000
              76 C     19.020000000000   18.170000000000   12.010000000000
              77 C     17.980000000000   18.490000000000   13.250000000000
              78 C     18.760000000000   19.170000000000   14.300000000000
              79 C     20.320000000000   19.140000000000   13.850000000000
              80 H     21.110000000000   18.910000000000   11.860000000000
              81 H     21.060000000000   17.410000000000   12.670000000000
              82 H     18.720000000000   17.150000000000   11.630000000000
              83 H     18.760000000000   18.880000000000   11.250000000000
              84 H     17.510000000000   17.560000000000   13.590000000000
              85 H     17.140000000000   19.060000000000   12.880000000000
              86 H     18.670000000000   18.700000000000   15.260000000000
              87 H     18.400000000000   20.190000000000   14.450000000000
              88 H     20.910000000000   18.690000000000   14.700000000000
              89 H     20.780000000000   20.120000000000   13.720000000000
