-------------------------------------------------------------
----------------------- !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:    -1171.1916429979
# -----------------------------------------------------------
$ 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     6.1909     6.0000    -0.1909     3.9019     3.9019     0.0000
  1   0     6.1610     6.0000    -0.1610     3.9046     3.9046     0.0000
  2   0     6.1325     6.0000    -0.1325     3.9016     3.9016     0.0000
  3   0     6.1994     6.0000    -0.1994     3.9024     3.9024     0.0000
  4   0     6.1348     6.0000    -0.1348     3.8604     3.8604     0.0000
  5   0     0.8954     1.0000     0.1046     0.9728     0.9728     0.0000
  6   0     0.9255     1.0000     0.0745     0.9768     0.9768     0.0000
  7   0     0.9212     1.0000     0.0788     0.9757     0.9757     0.0000
  8   0     0.9123     1.0000     0.0877     0.9806     0.9806     0.0000
  9   0     0.9201     1.0000     0.0799     0.9758     0.9758     0.0000
 10   0     0.9159     1.0000     0.0841     0.9693     0.9693    -0.0000
 11   0     0.9045     1.0000     0.0955     0.9663     0.9663     0.0000
 12   0     0.9168     1.0000     0.0832     0.9709     0.9709     0.0000
 13   0     0.9404     1.0000     0.0596     0.9963     0.9963     0.0000
 14   0     0.9251     1.0000     0.0749     0.9713     0.9713     0.0000
 15   0     6.1805     6.0000    -0.1805     3.9254     3.9254     0.0000
 16   0     6.1443     6.0000    -0.1443     3.8821     3.8821     0.0000
 17   0     6.2036     6.0000    -0.2036     3.8648     3.8648    -0.0000
 18   0     6.1440     6.0000    -0.1440     3.8824     3.8824    -0.0000
 19   0     6.1354     6.0000    -0.1354     3.8957     3.8957     0.0000
 20   0     0.9199     1.0000     0.0801     0.9730     0.9730     0.0000
 21   0     0.9123     1.0000     0.0877     0.9803     0.9803     0.0000
 22   0     0.9220     1.0000     0.0780     0.9753     0.9753     0.0000
 23   0     0.9115     1.0000     0.0885     0.9797     0.9797     0.0000
 24   0     0.9220     1.0000     0.0780     0.9745     0.9745     0.0000
 25   0     0.9212     1.0000     0.0788     0.9744     0.9744    -0.0000
 26   0     0.9215     1.0000     0.0785     0.9782     0.9782    -0.0000
 27   0     0.9278     1.0000     0.0722     0.9822     0.9822     0.0000
 28   0     0.9117     1.0000     0.0883     0.9774     0.9774     0.0000
 29   0     0.9233     1.0000     0.0767     0.9789     0.9789     0.0000
 30   0     6.1514     6.0000    -0.1514     3.8865     3.8865     0.0000
 31   0     6.2146     6.0000    -0.2146     3.8947     3.8947     0.0000
 32   0     6.1162     6.0000    -0.1162     3.8897     3.8897    -0.0000
 33   0     6.1883     6.0000    -0.1883     3.8870     3.8870    -0.0000
 34   0     6.1852     6.0000    -0.1852     3.8708     3.8708     0.0000
 35   0     0.9071     1.0000     0.0929     0.9752     0.9752    -0.0000
 36   0     0.9226     1.0000     0.0774     0.9765     0.9765     0.0000
 37   0     0.9070     1.0000     0.0930     0.9737     0.9737     0.0000
 38   0     0.9146     1.0000     0.0854     0.9754     0.9754     0.0000
 39   0     0.9117     1.0000     0.0883     0.9781     0.9781     0.0000
 40   0     0.9219     1.0000     0.0781     0.9802     0.9802     0.0000
 41   0     0.9107     1.0000     0.0893     0.9791     0.9791    -0.0000
 42   0     0.9177     1.0000     0.0823     0.9731     0.9731     0.0000
 43   0     0.9187     1.0000     0.0813     0.9801     0.9801     0.0000
 44   0     0.9072     1.0000     0.0928     0.9713     0.9713     0.0000
 45   0     6.1577     6.0000    -0.1577     3.8941     3.8941    -0.0000
 46   0     6.1587     6.0000    -0.1587     3.8962     3.8962    -0.0000
 47   0     6.1600     6.0000    -0.1600     3.8849     3.8849     0.0000
 48   0     6.1539     6.0000    -0.1539     3.8989     3.8989     0.0000
 49   0     6.1863     6.0000    -0.1863     3.8719     3.8719     0.0000
 50   0     0.9262     1.0000     0.0738     0.9751     0.9751    -0.0000
 51   0     0.9032     1.0000     0.0968     0.9766     0.9766     0.0000
 52   0     0.9130     1.0000     0.0870     0.9724     0.9724     0.0000
 53   0     0.9253     1.0000     0.0747     0.9775     0.9775     0.0000
 54   0     0.9252     1.0000     0.0748     0.9817     0.9817    -0.0000
 55   0     0.9149     1.0000     0.0851     0.9754     0.9754     0.0000
 56   0     0.9097     1.0000     0.0903     0.9777     0.9777     0.0000
 57   0     0.9220     1.0000     0.0780     0.9843     0.9843     0.0000
 58   0     0.9217     1.0000     0.0783     0.9762     0.9762     0.0000
 59   0     0.9222     1.0000     0.0778     0.9700     0.9700    -0.0000
 60   0     6.1773     6.0000    -0.1773     3.8727     3.8727     0.0000
 61   0     6.1645     6.0000    -0.1645     3.9085     3.9085    -0.0000
 62   0     6.1131     6.0000    -0.1131     3.8959     3.8959    -0.0000
 63   0     6.1938     6.0000    -0.1938     3.9063     3.9063     0.0000
 64   0     6.1426     6.0000    -0.1426     3.8715     3.8715     0.0000
 65   0     0.9281     1.0000     0.0719     0.9823     0.9823     0.0000
 66   0     0.9183     1.0000     0.0817     0.9752     0.9752     0.0000
 67   0     0.9205     1.0000     0.0795     0.9791     0.9791    -0.0000
 68   0     0.9153     1.0000     0.0847     0.9729     0.9729    -0.0000
 69   0     0.9148     1.0000     0.0852     0.9770     0.9770    -0.0000
 70   0     0.9269     1.0000     0.0731     0.9825     0.9825    -0.0000
 71   0     0.9221     1.0000     0.0779     0.9735     0.9735     0.0000
 72   0     0.9142     1.0000     0.0858     0.9680     0.9680    -0.0000
 73   0     0.9176     1.0000     0.0824     0.9784     0.9784     0.0000
 74   0     0.9356     1.0000     0.0644     0.9863     0.9863     0.0000
 75   0     6.1857     6.0000    -0.1857     3.8794     3.8794     0.0000
 76   0     6.1047     6.0000    -0.1047     3.8682     3.8682     0.0000
 77   0     6.1771     6.0000    -0.1771     3.9013     3.9013     0.0000
 78   0     6.1963     6.0000    -0.1963     3.9142     3.9142    -0.0000
 79   0     6.1185     6.0000    -0.1185     3.8806     3.8806    -0.0000
 80   0     0.9274     1.0000     0.0726     0.9818     0.9818     0.0000
 81   0     0.9268     1.0000     0.0732     0.9725     0.9725     0.0000
 82   0     0.9463     1.0000     0.0537     0.9922     0.9922     0.0000
 83   0     0.9160     1.0000     0.0840     0.9786     0.9786    -0.0000
 84   0     0.9131     1.0000     0.0869     0.9685     0.9685     0.0000
 85   0     0.9203     1.0000     0.0797     0.9749     0.9749     0.0000
 86   0     0.9254     1.0000     0.0746     0.9732     0.9732     0.0000
 87   0     0.9006     1.0000     0.0994     0.9714     0.9714     0.0000
 88   0     0.9240     1.0000     0.0760     0.9769     0.9769     0.0000
 89   0     0.9215     1.0000     0.0785     0.9753     0.9753    -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                0.963229
                0             6               4            6                0.976422
                0             6               5            1                0.978132
                0             6               6            1                1.001030
                1             6               2            6                0.986111
                1             6               7            1                1.000906
                1             6               8            1                0.988852
                2             6               3            6                0.977603
                2             6               9            1                0.989933
                2             6              10            1                0.983947
                3             6               4            6                0.942864
                3             6              11            1                0.984215
                3             6              12            1                1.004574
                4             6              13            1                1.002469
                4             6              14            1                0.996428
               15             6              16            6                0.977551
               15             6              19            6                0.981133
               15             6              20            1                0.989928
               15             6              21            1                0.993120
               16             6              17            6                0.961038
               16             6              22            1                0.992562
               16             6              23            1                0.987758
               17             6              18            6                0.955104
               17             6              24            1                0.996232
               17             6              25            1                0.993624
               18             6              19            6                0.970758
               18             6              26            1                0.991903
               18             6              27            1                0.999834
               19             6              28            1                0.984277
               19             6              29            1                0.993016
               30             6              31            6                0.965876
               30             6              34            6                0.978660
               30             6              35            1                0.989244
               30             6              36            1                0.993034
               31             6              32            6                0.969459
               31             6              37            1                0.988572
               31             6              38            1                0.998189
               32             6              33            6                0.978796
               32             6              39            1                0.988832
               32             6              40            1                0.996658
               33             6              34            6                0.953193
               33             6              41            1                0.995463
               33             6              42            1                0.991435
               34             6              43            1                0.990081
               34             6              44            1                0.986284
               45             6              46            6                0.974520
               45             6              49            6                0.967021
               45             6              50            1                0.995684
               45             6              51            1                0.984416
               46             6              47            6                0.967563
               46             6              52            1                0.989270
               46             6              53            1                0.996750
               47             6              48            6                0.967687
               47             6              54            1                0.998655
               47             6              55            1                0.991744
               48             6              49            6                0.962849
               48             6              56            1                0.993655
               48             6              57            1                0.997598
               49             6              58            1                0.995984
               49             6              59            1                0.992540
               60             6              61            6                0.963968
               60             6              64            6                0.958792
               60             6              65            1                1.002422
               60             6              66            1                0.989581
               61             6              62            6                0.981895
               61             6              67            1                0.993811
               61             6              68            1                0.988698
               62             6              63            6                0.970513
               62             6              69            1                0.987873
               62             6              70            1                0.996740
               63             6              64            6                0.970171
               63             6              71            1                0.993667
               63             6              72            1                1.000450
               64             6              73            1                0.984427
               64             6              74            1                0.990555
               75             6              76            6                0.961797
               75             6              79            6                0.950649
               75             6              80            1                0.993267
               75             6              81            1                1.000744
               76             6              77            6                0.969073
               76             6              82            1                0.991064
               76             6              83            1                0.990359
               77             6              78            6                0.971616
               77             6              84            1                0.995863
               77             6              85            1                0.994339
               78             6              79            6                0.987214
               78             6              86            1                0.993013
               78             6              87            1                0.983616
               79             6              88            1                1.000673
               79             6              89            1                0.991834
# -----------------------------------------------------------
$ 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     6.1983     6.0000    -0.1983     4.0131     3.6851     0.3280
  1   0     6.1690     6.0000    -0.1690     4.0152     3.6905     0.3247
  2   0     6.1408     6.0000    -0.1408     4.0095     3.6868     0.3227
  3   0     6.2076     6.0000    -0.2076     4.0155     3.6910     0.3245
  4   0     6.1440     6.0000    -0.1440     3.9746     3.6458     0.3288
  5   0     0.8917     1.0000     0.1083     0.9815     0.9293     0.0522
  6   0     0.9214     1.0000     0.0786     0.9863     0.9318     0.0545
  7   0     0.9169     1.0000     0.0831     0.9850     0.9337     0.0513
  8   0     0.9087     1.0000     0.0913     0.9900     0.9356     0.0544
  9   0     0.9159     1.0000     0.0841     0.9851     0.9333     0.0518
 10   0     0.9120     1.0000     0.0880     0.9787     0.9252     0.0535
 11   0     0.9004     1.0000     0.0996     0.9751     0.9234     0.0517
 12   0     0.9126     1.0000     0.0874     0.9799     0.9281     0.0518
 13   0     0.9354     1.0000     0.0646     1.0054     0.9529     0.0525
 14   0     0.9211     1.0000     0.0789     0.9811     0.9255     0.0556
 15   0     6.1879     6.0000    -0.1879     4.0332     3.7187     0.3145
 16   0     6.1521     6.0000    -0.1521     3.9906     3.6674     0.3232
 17   0     6.2108     6.0000    -0.2108     3.9772     3.6542     0.3230
 18   0     6.1524     6.0000    -0.1524     3.9922     3.6715     0.3207
 19   0     6.1431     6.0000    -0.1431     4.0019     3.6853     0.3166
 20   0     0.9161     1.0000     0.0839     0.9826     0.9285     0.0541
 21   0     0.9084     1.0000     0.0916     0.9893     0.9412     0.0481
 22   0     0.9182     1.0000     0.0818     0.9849     0.9298     0.0551
 23   0     0.9076     1.0000     0.0924     0.9887     0.9384     0.0503
 24   0     0.9182     1.0000     0.0818     0.9840     0.9304     0.0536
 25   0     0.9176     1.0000     0.0824     0.9845     0.9302     0.0543
 26   0     0.9174     1.0000     0.0826     0.9876     0.9372     0.0504
 27   0     0.9239     1.0000     0.0761     0.9919     0.9384     0.0535
 28   0     0.9078     1.0000     0.0922     0.9864     0.9362     0.0502
 29   0     0.9195     1.0000     0.0805     0.9884     0.9353     0.0531
 30   0     6.1585     6.0000    -0.1585     3.9956     3.6700     0.3256
 31   0     6.2221     6.0000    -0.2221     4.0091     3.6740     0.3351
 32   0     6.1240     6.0000    -0.1240     3.9965     3.6753     0.3212
 33   0     6.1965     6.0000    -0.1965     4.0015     3.6734     0.3281
 34   0     6.1929     6.0000    -0.1929     3.9847     3.6582     0.3265
 35   0     0.9034     1.0000     0.0966     0.9843     0.9339     0.0504
 36   0     0.9188     1.0000     0.0812     0.9864     0.9314     0.0550
 37   0     0.9034     1.0000     0.0966     0.9830     0.9303     0.0527
 38   0     0.9109     1.0000     0.0891     0.9849     0.9321     0.0528
 39   0     0.9080     1.0000     0.0920     0.9874     0.9365     0.0509
 40   0     0.9181     1.0000     0.0819     0.9897     0.9389     0.0508
 41   0     0.9068     1.0000     0.0932     0.9881     0.9386     0.0495
 42   0     0.9138     1.0000     0.0862     0.9826     0.9294     0.0532
 43   0     0.9146     1.0000     0.0854     0.9893     0.9390     0.0503
 44   0     0.9033     1.0000     0.0967     0.9805     0.9281     0.0524
 45   0     6.1649     6.0000    -0.1649     4.0016     3.6845     0.3171
 46   0     6.1667     6.0000    -0.1667     4.0056     3.6844     0.3212
 47   0     6.1673     6.0000    -0.1673     3.9940     3.6768     0.3172
 48   0     6.1609     6.0000    -0.1609     4.0051     3.6940     0.3111
 49   0     6.1944     6.0000    -0.1944     3.9844     3.6551     0.3293
 50   0     0.9224     1.0000     0.0776     0.9849     0.9323     0.0526
 51   0     0.8995     1.0000     0.1005     0.9856     0.9348     0.0508
 52   0     0.9093     1.0000     0.0907     0.9819     0.9293     0.0526
 53   0     0.9213     1.0000     0.0787     0.9870     0.9351     0.0519
 54   0     0.9214     1.0000     0.0786     0.9914     0.9410     0.0504
 55   0     0.9112     1.0000     0.0888     0.9850     0.9349     0.0501
 56   0     0.9060     1.0000     0.0940     0.9867     0.9391     0.0476
 57   0     0.9184     1.0000     0.0816     0.9939     0.9439     0.0500
 58   0     0.9180     1.0000     0.0820     0.9861     0.9339     0.0522
 59   0     0.9184     1.0000     0.0816     0.9797     0.9226     0.0571
 60   0     6.1845     6.0000    -0.1845     3.9825     3.6599     0.3226
 61   0     6.1731     6.0000    -0.1731     4.0179     3.6956     0.3223
 62   0     6.1205     6.0000    -0.1205     3.9987     3.6881     0.3106
 63   0     6.2024     6.0000    -0.2024     4.0191     3.6934     0.3257
 64   0     6.1496     6.0000    -0.1496     3.9788     3.6633     0.3155
 65   0     0.9243     1.0000     0.0757     0.9922     0.9393     0.0529
 66   0     0.9143     1.0000     0.0857     0.9846     0.9307     0.0539
 67   0     0.9167     1.0000     0.0833     0.9884     0.9357     0.0527
 68   0     0.9114     1.0000     0.0886     0.9820     0.9276     0.0544
 69   0     0.9111     1.0000     0.0889     0.9863     0.9365     0.0498
 70   0     0.9230     1.0000     0.0770     0.9920     0.9415     0.0505
 71   0     0.9182     1.0000     0.0818     0.9832     0.9262     0.0570
 72   0     0.9104     1.0000     0.0896     0.9773     0.9227     0.0546
 73   0     0.9137     1.0000     0.0863     0.9876     0.9369     0.0507
 74   0     0.9314     1.0000     0.0686     0.9960     0.9424     0.0536
 75   0     6.1939     6.0000    -0.1939     3.9898     3.6738     0.3160
 76   0     6.1113     6.0000    -0.1113     3.9723     3.6604     0.3119
 77   0     6.1850     6.0000    -0.1850     4.0103     3.6884     0.3219
 78   0     6.2043     6.0000    -0.2043     4.0246     3.6941     0.3305
 79   0     6.1260     6.0000    -0.1260     3.9857     3.6718     0.3139
 80   0     0.9236     1.0000     0.0764     0.9915     0.9379     0.0536
 81   0     0.9228     1.0000     0.0772     0.9819     0.9314     0.0505
 82   0     0.9426     1.0000     0.0574     1.0029     0.9459     0.0570
 83   0     0.9119     1.0000     0.0881     0.9878     0.9374     0.0504
 84   0     0.9093     1.0000     0.0907     0.9777     0.9230     0.0547
 85   0     0.9165     1.0000     0.0835     0.9844     0.9303     0.0541
 86   0     0.9216     1.0000     0.0784     0.9829     0.9252     0.0577
 87   0     0.8970     1.0000     0.1030     0.9803     0.9272     0.0531
 88   0     0.9200     1.0000     0.0800     0.9864     0.9349     0.0515
 89   0     0.9177     1.0000     0.0823     0.9850     0.9307     0.0543
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.900564
                0             6               4            6                0.912173
                0             6               5            1                0.936413
                0             6               6            1                0.956893
                1             6               2            6                0.922104
                1             6               7            1                0.959851
                1             6               8            1                0.945210
                2             6               3            6                0.914236
                2             6               9            1                0.948699
                2             6              10            1                0.941210
                3             6               4            6                0.882317
                3             6              11            1                0.942670
                3             6              12            1                0.962328
                4             6              13            1                0.959980
                4             6              14            1                0.951634
               15             6              16            6                0.913725
               15             6              19            6                0.922611
               15             6              20            1                0.946753
               15             6              21            1                0.955496
               16             6              17            6                0.897916
               16             6              22            1                0.948434
               16             6              23            1                0.947903
               17             6              18            6                0.896230
               17             6              24            1                0.953497
               17             6              25            1                0.950769
               18             6              19            6                0.904542
               18             6              26            1                0.952135
               18             6              27            1                0.957153
               19             6              28            1                0.944664
               19             6              29            1                0.950681
               30             6              31            6                0.899150
               30             6              34            6                0.915639
               30             6              35            1                0.949251
               30             6              36            1                0.949163
               31             6              32            6                0.903091
               31             6              37            1                0.946663
               31             6              38            1                0.955913
               32             6              33            6                0.914212
               32             6              39            1                0.948584
               32             6              40            1                0.956354
               33             6              34            6                0.889010
               33             6              41            1                0.956251
               33             6              42            1                0.948760
               34             6              43            1                0.950190
               34             6              44            1                0.944167
               45             6              46            6                0.913858
               45             6              49            6                0.903621
               45             6              50            1                0.953905
               45             6              51            1                0.944329
               46             6              47            6                0.902702
               46             6              52            1                0.947674
               46             6              53            1                0.955628
               47             6              48            6                0.906650
               47             6              54            1                0.958977
               47             6              55            1                0.952484
               48             6              49            6                0.899239
               48             6              56            1                0.956368
               48             6              57            1                0.958453
               49             6              58            1                0.954784
               49             6              59            1                0.946399
               60             6              61            6                0.902774
               60             6              64            6                0.895402
               60             6              65            1                0.960280
               60             6              66            1                0.946387
               61             6              62            6                0.919028
               61             6              67            1                0.951912
               61             6              68            1                0.944916
               62             6              63            6                0.908254
               62             6              69            1                0.948802
               62             6              70            1                0.956752
               63             6              64            6                0.912164
               63             6              71            1                0.947964
               63             6              72            1                0.956291
               64             6              73            1                0.944376
               64             6              74            1                0.948019
               75             6              76            6                0.901319
               75             6              79            6                0.892019
               75             6              80            1                0.950806
               75             6              81            1                0.960476
               76             6              77            6                0.910030
               76             6              82            1                0.946146
               76             6              83            1                0.950270
               77             6              78            6                0.908429
               77             6              84            1                0.951502
               77             6              85            1                0.951172
               78             6              79            6                0.923531
               78             6              86            1                0.946175
               78             6              87            1                0.940988
               79             6              88            1                0.959755
               79             6              89            1                0.948473
# -----------------------------------------------------------
$ 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     6.2422     6.0000    -0.2422     3.9899     3.6664     0.3235
  1   0     6.2163     6.0000    -0.2163     3.9879     3.6676     0.3203
  2   0     6.1914     6.0000    -0.1914     3.9812     3.6628     0.3184
  3   0     6.2566     6.0000    -0.2566     3.9961     3.6760     0.3201
  4   0     6.2154     6.0000    -0.2154     3.9661     3.6416     0.3245
  5   0     0.8689     1.0000     0.1311     0.9761     0.9251     0.0510
  6   0     0.8948     1.0000     0.1052     0.9783     0.9251     0.0532
  7   0     0.8914     1.0000     0.1086     0.9788     0.9287     0.0501
  8   0     0.8835     1.0000     0.1165     0.9826     0.9294     0.0532
  9   0     0.8945     1.0000     0.1055     0.9798     0.9291     0.0507
 10   0     0.8882     1.0000     0.1118     0.9755     0.9231     0.0524
 11   0     0.8791     1.0000     0.1209     0.9719     0.9213     0.0506
 12   0     0.8818     1.0000     0.1182     0.9697     0.9192     0.0505
 13   0     0.8962     1.0000     0.1038     0.9935     0.9427     0.0508
 14   0     0.8935     1.0000     0.1065     0.9756     0.9214     0.0542
 15   0     6.2352     6.0000    -0.2352     4.0197     3.7094     0.3103
 16   0     6.1984     6.0000    -0.1984     3.9744     3.6553     0.3191
 17   0     6.2567     6.0000    -0.2567     3.9631     3.6446     0.3185
 18   0     6.2086     6.0000    -0.2086     3.9758     3.6591     0.3167
 19   0     6.1926     6.0000    -0.1926     3.9920     3.6795     0.3125
 20   0     0.8913     1.0000     0.1087     0.9741     0.9210     0.0531
 21   0     0.8838     1.0000     0.1162     0.9804     0.9333     0.0471
 22   0     0.8958     1.0000     0.1042     0.9770     0.9228     0.0542
 23   0     0.8857     1.0000     0.1143     0.9816     0.9323     0.0493
 24   0     0.8893     1.0000     0.1107     0.9733     0.9209     0.0524
 25   0     0.8910     1.0000     0.1090     0.9778     0.9248     0.0530
 26   0     0.8937     1.0000     0.1063     0.9801     0.9307     0.0494
 27   0     0.8961     1.0000     0.1039     0.9844     0.9322     0.0522
 28   0     0.8875     1.0000     0.1125     0.9801     0.9308     0.0493
 29   0     0.8954     1.0000     0.1046     0.9810     0.9289     0.0521
 30   0     6.2051     6.0000    -0.2051     3.9791     3.6579     0.3212
 31   0     6.2657     6.0000    -0.2657     3.9923     3.6613     0.3310
 32   0     6.1798     6.0000    -0.1798     3.9883     3.6709     0.3174
 33   0     6.2456     6.0000    -0.2456     3.9903     3.6663     0.3240
 34   0     6.2438     6.0000    -0.2438     3.9787     3.6566     0.3221
 35   0     0.8801     1.0000     0.1199     0.9774     0.9280     0.0494
 36   0     0.8935     1.0000     0.1065     0.9779     0.9240     0.0539
 37   0     0.8811     1.0000     0.1189     0.9747     0.9230     0.0517
 38   0     0.8855     1.0000     0.1145     0.9754     0.9236     0.0518
 39   0     0.8863     1.0000     0.1137     0.9801     0.9301     0.0500
 40   0     0.8926     1.0000     0.1074     0.9805     0.9307     0.0498
 41   0     0.8819     1.0000     0.1181     0.9789     0.9305     0.0484
 42   0     0.8886     1.0000     0.1114     0.9746     0.9225     0.0521
 43   0     0.8893     1.0000     0.1107     0.9809     0.9317     0.0492
 44   0     0.8776     1.0000     0.1224     0.9731     0.9220     0.0511
 45   0     6.2150     6.0000    -0.2150     3.9909     3.6778     0.3131
 46   0     6.2173     6.0000    -0.2173     3.9891     3.6718     0.3173
 47   0     6.2229     6.0000    -0.2229     3.9841     3.6707     0.3134
 48   0     6.2140     6.0000    -0.2140     3.9940     3.6866     0.3074
 49   0     6.2354     6.0000    -0.2354     3.9675     3.6425     0.3250
 50   0     0.8964     1.0000     0.1036     0.9751     0.9235     0.0516
 51   0     0.8774     1.0000     0.1226     0.9776     0.9278     0.0498
 52   0     0.8867     1.0000     0.1133     0.9748     0.9232     0.0516
 53   0     0.8943     1.0000     0.1057     0.9776     0.9269     0.0507
 54   0     0.8922     1.0000     0.1078     0.9804     0.9312     0.0492
 55   0     0.8877     1.0000     0.1123     0.9790     0.9300     0.0490
 56   0     0.8817     1.0000     0.1183     0.9790     0.9324     0.0466
 57   0     0.8917     1.0000     0.1083     0.9827     0.9338     0.0489
 58   0     0.8933     1.0000     0.1067     0.9774     0.9262     0.0512
 59   0     0.8940     1.0000     0.1060     0.9723     0.9162     0.0561
 60   0     6.2331     6.0000    -0.2331     3.9644     3.6462     0.3182
 61   0     6.2170     6.0000    -0.2170     3.9979     3.6800     0.3179
 62   0     6.1810     6.0000    -0.1810     3.9830     3.6760     0.3070
 63   0     6.2455     6.0000    -0.2455     4.0006     3.6798     0.3208
 64   0     6.2109     6.0000    -0.2109     3.9726     3.6613     0.3113
 65   0     0.8971     1.0000     0.1029     0.9856     0.9340     0.0516
 66   0     0.8901     1.0000     0.1099     0.9784     0.9256     0.0528
 67   0     0.8930     1.0000     0.1070     0.9812     0.9295     0.0517
 68   0     0.8874     1.0000     0.1126     0.9759     0.9226     0.0533
 69   0     0.8875     1.0000     0.1125     0.9794     0.9306     0.0488
 70   0     0.8968     1.0000     0.1032     0.9833     0.9338     0.0495
 71   0     0.8913     1.0000     0.1087     0.9743     0.9185     0.0558
 72   0     0.8852     1.0000     0.1148     0.9704     0.9169     0.0535
 73   0     0.8887     1.0000     0.1113     0.9796     0.9300     0.0496
 74   0     0.9004     1.0000     0.0996     0.9886     0.9364     0.0522
 75   0     6.2515     6.0000    -0.2515     3.9784     3.6666     0.3118
 76   0     6.1669     6.0000    -0.1669     3.9663     3.6587     0.3076
 77   0     6.2341     6.0000    -0.2341     4.0046     3.6873     0.3173
 78   0     6.2458     6.0000    -0.2458     4.0056     3.6797     0.3259
 79   0     6.1752     6.0000    -0.1752     3.9638     3.6541     0.3097
 80   0     0.8934     1.0000     0.1066     0.9816     0.9293     0.0523
 81   0     0.8930     1.0000     0.1070     0.9730     0.9237     0.0493
 82   0     0.9178     1.0000     0.0822     0.9960     0.9403     0.0557
 83   0     0.8880     1.0000     0.1120     0.9813     0.9321     0.0492
 84   0     0.8857     1.0000     0.1143     0.9707     0.9170     0.0537
 85   0     0.8900     1.0000     0.1100     0.9754     0.9224     0.0530
 86   0     0.8972     1.0000     0.1028     0.9748     0.9181     0.0567
 87   0     0.8764     1.0000     0.1236     0.9746     0.9225     0.0521
 88   0     0.8957     1.0000     0.1043     0.9799     0.9294     0.0505
 89   0     0.8934     1.0000     0.1066     0.9791     0.9259     0.0532
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.908972
                0             6               4            6                0.916620
                0             6               5            1                0.922638
                0             6               6            1                0.942821
                1             6               2            6                0.924748
                1             6               7            1                0.948727
                1             6               8            1                0.927735
                2             6               3            6                0.914700
                2             6               9            1                0.936770
                2             6              10            1                0.928619
                3             6               4            6                0.894587
                3             6              11            1                0.928080
                3             6              12            1                0.950776
                4             6              13            1                0.944349
                4             6              14            1                0.936705
               15             6              16            6                0.922814
               15             6              19            6                0.935727
               15             6              20            1                0.931670
               15             6              21            1                0.944330
               16             6              17            6                0.908214
               16             6              22            1                0.932036
               16             6              23            1                0.937005
               17             6              18            6                0.909064
               17             6              24            1                0.938093
               17             6              25            1                0.935975
               18             6              19            6                0.909544
               18             6              26            1                0.939724
               18             6              27            1                0.942660
               19             6              28            1                0.933288
               19             6              29            1                0.938483
               30             6              31            6                0.906363
               30             6              34            6                0.923444
               30             6              35            1                0.939988
               30             6              36            1                0.933425
               31             6              32            6                0.911355
               31             6              37            1                0.932426
               31             6              38            1                0.942451
               32             6              33            6                0.924017
               32             6              39            1                0.936184
               32             6              40            1                0.945345
               33             6              34            6                0.896538
               33             6              41            1                0.944805
               33             6              42            1                0.935789
               34             6              43            1                0.941018
               34             6              44            1                0.931078
               45             6              46            6                0.924211
               45             6              49            6                0.914401
               45             6              50            1                0.940766
               45             6              51            1                0.931595
               46             6              47            6                0.910399
               46             6              52            1                0.933284
               46             6              53            1                0.943242
               47             6              48            6                0.915478
               47             6              54            1                0.947598
               47             6              55            1                0.941354
               48             6              49            6                0.907906
               48             6              56            1                0.946949
               48             6              57            1                0.945234
               49             6              58            1                0.942139
               49             6              59            1                0.931923
               60             6              61            6                0.917206
               60             6              64            6                0.897832
               60             6              65            1                0.947132
               60             6              66            1                0.933745
               61             6              62            6                0.922567
               61             6              67            1                0.936797
               61             6              68            1                0.932729
               62             6              63            6                0.918316
               62             6              69            1                0.936840
               62             6              70            1                0.945322
               63             6              64            6                0.928863
               63             6              71            1                0.928033
               63             6              72            1                0.941610
               64             6              73            1                0.931079
               64             6              74            1                0.934979
               75             6              76            6                0.910717
               75             6              79            6                0.901136
               75             6              80            1                0.932925
               75             6              81            1                0.950288
               76             6              77            6                0.929098
               76             6              82            1                0.929658
               76             6              83            1                0.939241
               77             6              78            6                0.917616
               77             6              84            1                0.936001
               77             6              85            1                0.935360
               78             6              79            6                0.932141
               78             6              86            1                0.929884
               78             6              87            1                0.928229
               79             6              88            1                0.945757
               79             6              89            1                0.934193
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1916429979
        Correlation Energy:       -5.0621407698
        Total MP2 Energy:      -1176.2537837677
# -----------------------------------------------------------
$ 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) :        0.2620668098
        Electronic Contribution:
                  0    
      0       0.055380
      1       0.127147
      2       0.392023
        Nuclear Contribution:
                  0    
      0       0.024100
      1      -0.192801
      2      -0.393636
        Total Dipole moment:
                  0    
      0       0.079481
      1      -0.065654
      2      -0.001614
# -----------------------------------------------------------
$ 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) :        0.2620680287
        Electronic Contribution:
                  0    
      0       0.055130
      1       0.126884
      2       0.390836
        Nuclear Contribution:
                  0    
      0       0.024100
      1      -0.192801
      2      -0.393636
        Total Dipole moment:
                  0    
      0       0.079230
      1      -0.065918
      2      -0.002800
# -----------------------------------------------------------
$ 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) :        0.1989975538
        Electronic Contribution:
                  0    
      0       0.032701
      1       0.140990
      2       0.378855
        Nuclear Contribution:
                  0    
      0       0.024100
      1      -0.192801
      2      -0.393636
        Total Dipole moment:
                  0    
      0       0.056801
      1      -0.051812
      2      -0.014781
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     13.550000000000   21.510000000000   23.890000000000
               1 C     13.320000000000   22.420000000000   22.660000000000
               2 C     14.270000000000   21.970000000000   21.530000000000
               3 C     15.280000000000   21.000000000000   22.140000000000
               4 C     14.770000000000   20.640000000000   23.540000000000
               5 H     12.650000000000   21.000000000000   24.300000000000
               6 H     13.920000000000   22.200000000000   24.680000000000
               7 H     13.520000000000   23.450000000000   22.890000000000
               8 H     12.300000000000   22.470000000000   22.200000000000
               9 H     14.880000000000   22.800000000000   21.180000000000
              10 H     13.710000000000   21.440000000000   20.720000000000
              11 H     16.330000000000   21.330000000000   22.050000000000
              12 H     15.220000000000   20.110000000000   21.530000000000
              13 H     15.460000000000   20.760000000000   24.390000000000
              14 H     14.450000000000   19.570000000000   23.650000000000
              15 C     20.260000000000   21.910000000000   19.490000000000
              16 C     19.120000000000   22.240000000000   18.460000000000
              17 C     17.870000000000   21.490000000000   18.950000000000
              18 C     18.370000000000   20.430000000000   19.880000000000
              19 C     19.800000000000   20.840000000000   20.400000000000
              20 H     20.500000000000   22.850000000000   20.060000000000
              21 H     21.140000000000   21.700000000000   18.990000000000
              22 H     19.300000000000   21.780000000000   17.430000000000
              23 H     18.830000000000   23.270000000000   18.360000000000
              24 H     17.290000000000   21.070000000000   18.110000000000
              25 H     17.070000000000   22.170000000000   19.310000000000
              26 H     18.380000000000   19.510000000000   19.340000000000
              27 H     17.780000000000   20.280000000000   20.800000000000
              28 H     20.460000000000   19.980000000000   20.370000000000
              29 H     19.520000000000   21.210000000000   21.410000000000
              30 C     18.500000000000   21.090000000000   26.060000000000
              31 C     19.640000000000   21.370000000000   27.180000000000
              32 C     19.220000000000   20.450000000000   28.410000000000
              33 C     17.790000000000   19.860000000000   28.110000000000
              34 C     17.260000000000   20.510000000000   26.760000000000
              35 H     18.900000000000   20.480000000000   25.270000000000
              36 H     18.140000000000   22.050000000000   25.600000000000
              37 H     19.830000000000   22.420000000000   27.470000000000
              38 H     20.650000000000   21.090000000000   26.850000000000
              39 H     19.200000000000   20.980000000000   29.360000000000
              40 H     19.960000000000   19.680000000000   28.390000000000
              41 H     17.170000000000   20.020000000000   28.950000000000
              42 H     17.840000000000   18.760000000000   27.980000000000
              43 H     16.560000000000   21.300000000000   26.950000000000
              44 H     16.840000000000   19.760000000000   26.070000000000
              45 C     13.110000000000   28.080000000000   25.680000000000
              46 C     13.510000000000   26.730000000000   26.250000000000
              47 C     12.900000000000   25.640000000000   25.280000000000
              48 C     11.690000000000   26.250000000000   24.550000000000
              49 C     11.890000000000   27.780000000000   24.760000000000
              50 H     13.940000000000   28.410000000000   25.050000000000
              51 H     12.920000000000   28.930000000000   26.340000000000
              52 H     13.210000000000   26.480000000000   27.290000000000
              53 H     14.590000000000   26.650000000000   26.250000000000
              54 H     12.580000000000   24.850000000000   25.890000000000
              55 H     13.670000000000   25.210000000000   24.700000000000
              56 H     10.750000000000   25.930000000000   24.830000000000
              57 H     11.670000000000   26.140000000000   23.510000000000
              58 H     11.000000000000   28.200000000000   25.210000000000
              59 H     12.000000000000   28.330000000000   23.730000000000
              60 C     10.720000000000   19.960000000000   21.520000000000
              61 C      9.440000000000   19.150000000000   21.510000000000
              62 C      9.820000000000   17.770000000000   20.960000000000
              63 C     11.340000000000   17.820000000000   20.800000000000
              64 C     11.900000000000   19.180000000000   20.910000000000
              65 H     11.020000000000   20.130000000000   22.540000000000
              66 H     10.560000000000   20.940000000000   20.990000000000
              67 H      8.760000000000   19.720000000000   20.850000000000
              68 H      8.980000000000   19.010000000000   22.550000000000
              69 H      9.350000000000   17.530000000000   20.030000000000
              70 H      9.580000000000   17.060000000000   21.720000000000
              71 H     11.610000000000   17.270000000000   19.820000000000
              72 H     11.770000000000   17.080000000000   21.530000000000
              73 H     12.190000000000   19.660000000000   19.990000000000
              74 H     12.770000000000   19.200000000000   21.590000000000
              75 C     14.680000000000   17.680000000000   27.290000000000
              76 C     13.690000000000   18.690000000000   26.760000000000
              77 C     12.290000000000   18.290000000000   27.070000000000
              78 C     12.350000000000   17.000000000000   27.890000000000
              79 C     13.860000000000   16.640000000000   27.920000000000
              80 H     15.480000000000   18.010000000000   27.980000000000
              81 H     15.280000000000   17.260000000000   26.530000000000
              82 H     13.780000000000   18.750000000000   25.630000000000
              83 H     13.930000000000   19.630000000000   27.200000000000
              84 H     11.600000000000   18.150000000000   26.170000000000
              85 H     11.730000000000   19.020000000000   27.700000000000
              86 H     11.740000000000   16.240000000000   27.240000000000
              87 H     11.900000000000   16.990000000000   28.930000000000
              88 H     14.070000000000   15.790000000000   27.300000000000
              89 H     14.220000000000   16.480000000000   28.980000000000
