-------------------------------------------------------------
----------------------- !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:    -1171.2226428408
# -----------------------------------------------------------
$ 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     6.1304     6.0000    -0.1304     3.8738     3.8738    -0.0000
  1   0     6.2245     6.0000    -0.2245     3.8962     3.8962    -0.0000
  2   0     6.1044     6.0000    -0.1044     3.8378     3.8378    -0.0000
  3   0     6.1615     6.0000    -0.1615     3.8842     3.8842     0.0000
  4   0     6.2085     6.0000    -0.2085     3.8789     3.8789     0.0000
  5   0     0.9116     1.0000     0.0884     0.9814     0.9814     0.0000
  6   0     0.9123     1.0000     0.0877     0.9766     0.9766    -0.0000
  7   0     0.9064     1.0000     0.0936     0.9741     0.9741    -0.0000
  8   0     0.9135     1.0000     0.0865     0.9734     0.9734     0.0000
  9   0     0.9137     1.0000     0.0863     0.9802     0.9802    -0.0000
 10   0     0.9546     1.0000     0.0454     0.9979     0.9979     0.0000
 11   0     0.9083     1.0000     0.0917     0.9709     0.9709     0.0000
 12   0     0.9244     1.0000     0.0756     0.9751     0.9751    -0.0000
 13   0     0.9212     1.0000     0.0788     0.9729     0.9729     0.0000
 14   0     0.9077     1.0000     0.0923     0.9699     0.9699     0.0000
 15   0     6.1741     6.0000    -0.1741     3.9074     3.9074     0.0000
 16   0     6.1286     6.0000    -0.1286     3.9000     3.9000     0.0000
 17   0     6.1911     6.0000    -0.1911     3.8919     3.8919    -0.0000
 18   0     6.1852     6.0000    -0.1852     3.8558     3.8558    -0.0000
 19   0     6.1522     6.0000    -0.1522     3.8668     3.8668     0.0000
 20   0     0.9190     1.0000     0.0810     0.9728     0.9728     0.0000
 21   0     0.9230     1.0000     0.0770     0.9764     0.9764     0.0000
 22   0     0.9190     1.0000     0.0810     0.9784     0.9784     0.0000
 23   0     0.9047     1.0000     0.0953     0.9758     0.9758     0.0000
 24   0     0.9209     1.0000     0.0791     0.9785     0.9785    -0.0000
 25   0     0.9101     1.0000     0.0899     0.9733     0.9733     0.0000
 26   0     0.9147     1.0000     0.0853     0.9769     0.9769    -0.0000
 27   0     0.9195     1.0000     0.0805     0.9701     0.9701     0.0000
 28   0     0.9003     1.0000     0.0997     0.9725     0.9725     0.0000
 29   0     0.9323     1.0000     0.0677     0.9767     0.9767     0.0000
 30   0     6.1906     6.0000    -0.1906     3.8855     3.8855    -0.0000
 31   0     6.1391     6.0000    -0.1391     3.9112     3.9112    -0.0000
 32   0     6.1512     6.0000    -0.1512     3.9036     3.9036    -0.0000
 33   0     6.1386     6.0000    -0.1386     3.8979     3.8979    -0.0000
 34   0     6.1823     6.0000    -0.1823     3.8842     3.8842    -0.0000
 35   0     0.9183     1.0000     0.0817     0.9740     0.9740    -0.0000
 36   0     0.9273     1.0000     0.0727     0.9778     0.9778     0.0000
 37   0     0.9053     1.0000     0.0947     0.9724     0.9724     0.0000
 38   0     0.9294     1.0000     0.0706     0.9841     0.9841    -0.0000
 39   0     0.9293     1.0000     0.0707     0.9822     0.9822    -0.0000
 40   0     0.9068     1.0000     0.0932     0.9721     0.9721    -0.0000
 41   0     0.9209     1.0000     0.0791     0.9769     0.9769    -0.0000
 42   0     0.9206     1.0000     0.0794     0.9820     0.9820    -0.0000
 43   0     0.9206     1.0000     0.0794     0.9733     0.9733    -0.0000
 44   0     0.9192     1.0000     0.0808     0.9763     0.9763     0.0000
 45   0     6.1458     6.0000    -0.1458     3.9100     3.9100     0.0000
 46   0     6.1897     6.0000    -0.1897     3.8709     3.8709     0.0000
 47   0     6.2051     6.0000    -0.2051     3.8782     3.8782    -0.0000
 48   0     6.1039     6.0000    -0.1039     3.8823     3.8823    -0.0000
 49   0     6.1767     6.0000    -0.1767     3.8995     3.8995     0.0000
 50   0     0.9252     1.0000     0.0748     0.9817     0.9817     0.0000
 51   0     0.9157     1.0000     0.0843     0.9830     0.9830     0.0000
 52   0     0.9080     1.0000     0.0920     0.9714     0.9714    -0.0000
 53   0     0.9303     1.0000     0.0697     0.9799     0.9799     0.0000
 54   0     0.9217     1.0000     0.0783     0.9747     0.9747    -0.0000
 55   0     0.9096     1.0000     0.0904     0.9732     0.9732    -0.0000
 56   0     0.9180     1.0000     0.0820     0.9927     0.9927     0.0000
 57   0     0.9346     1.0000     0.0654     1.0068     1.0068    -0.0000
 58   0     0.8996     1.0000     0.1004     0.9742     0.9742     0.0000
 59   0     0.9209     1.0000     0.0791     0.9730     0.9730     0.0000
 60   0     6.1837     6.0000    -0.1837     3.9090     3.9090    -0.0000
 61   0     6.2174     6.0000    -0.2174     3.8939     3.8939    -0.0000
 62   0     6.0922     6.0000    -0.0922     3.8942     3.8942     0.0000
 63   0     6.1662     6.0000    -0.1662     3.9287     3.9287    -0.0000
 64   0     6.1367     6.0000    -0.1367     3.9110     3.9110     0.0000
 65   0     0.9265     1.0000     0.0735     0.9817     0.9817    -0.0000
 66   0     0.9137     1.0000     0.0863     0.9770     0.9770    -0.0000
 67   0     0.9253     1.0000     0.0747     0.9758     0.9758    -0.0000
 68   0     0.9141     1.0000     0.0859     0.9743     0.9743    -0.0000
 69   0     0.9110     1.0000     0.0890     0.9767     0.9767    -0.0000
 70   0     0.9360     1.0000     0.0640     0.9860     0.9860    -0.0000
 71   0     0.9341     1.0000     0.0659     0.9780     0.9780    -0.0000
 72   0     0.9062     1.0000     0.0938     0.9778     0.9778    -0.0000
 73   0     0.9231     1.0000     0.0769     0.9779     0.9779     0.0000
 74   0     0.9133     1.0000     0.0867     0.9762     0.9762    -0.0000
 75   0     6.1760     6.0000    -0.1760     3.8971     3.8971    -0.0000
 76   0     6.1201     6.0000    -0.1201     3.8847     3.8847    -0.0000
 77   0     6.1874     6.0000    -0.1874     3.9388     3.9388    -0.0000
 78   0     6.1040     6.0000    -0.1040     3.8775     3.8775    -0.0000
 79   0     6.2128     6.0000    -0.2128     3.8966     3.8966    -0.0000
 80   0     0.9307     1.0000     0.0693     0.9745     0.9745     0.0000
 81   0     0.9027     1.0000     0.0973     0.9774     0.9774    -0.0000
 82   0     0.9226     1.0000     0.0774     0.9773     0.9773    -0.0000
 83   0     0.9279     1.0000     0.0721     0.9806     0.9806     0.0000
 84   0     0.9283     1.0000     0.0717     0.9827     0.9827    -0.0000
 85   0     0.9109     1.0000     0.0891     0.9712     0.9712    -0.0000
 86   0     0.8997     1.0000     0.1003     0.9696     0.9696    -0.0000
 87   0     0.9376     1.0000     0.0624     0.9895     0.9895    -0.0000
 88   0     0.9218     1.0000     0.0782     0.9805     0.9805     0.0000
 89   0     0.9161     1.0000     0.0839     0.9712     0.9712    -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                0.969509
                0             6               4            6                0.965109
                0             6               5            1                0.989008
                0             6               6            1                0.988858
                1             6               2            6                0.948599
                1             6               7            1                0.984903
                1             6               8            1                0.994040
                2             6               3            6                0.960821
                2             6               9            1                0.987049
                2             6              10            1                1.007420
                3             6               4            6                0.963251
                3             6              11            1                0.981744
                3             6              12            1                0.996954
                4             6              13            1                0.995460
                4             6              14            1                0.986756
               15             6              16            6                0.974600
               15             6              19            6                0.968264
               15             6              20            1                0.996178
               15             6              21            1                0.992633
               16             6              17            6                0.978145
               16             6              22            1                0.991177
               16             6              23            1                0.983499
               17             6              18            6                0.957718
               17             6              24            1                0.992812
               17             6              25            1                0.988596
               18             6              19            6                0.955950
               18             6              26            1                0.984696
               18             6              27            1                0.997590
               19             6              28            1                0.978345
               19             6              29            1                1.001330
               30             6              31            6                0.975905
               30             6              34            6                0.962332
               30             6              35            1                0.989530
               30             6              36            1                0.992844
               31             6              32            6                0.976788
               31             6              37            1                0.989277
               31             6              38            1                0.991211
               32             6              33            6                0.971109
               32             6              39            1                1.000866
               32             6              40            1                0.987705
               33             6              34            6                0.969748
               33             6              41            1                0.992719
               33             6              42            1                0.992349
               34             6              43            1                0.998016
               34             6              44            1                0.990989
               45             6              46            6                0.967336
               45             6              49            6                0.972973
               45             6              50            1                0.999360
               45             6              51            1                0.996222
               46             6              47            6                0.960554
               46             6              52            1                0.986599
               46             6              53            1                0.999218
               47             6              48            6                0.961809
               47             6              54            1                0.996903
               47             6              55            1                0.995709
               48             6              49            6                0.973005
               48             6              56            1                0.992357
               48             6              57            1                0.997876
               49             6              58            1                0.988620
               49             6              59            1                0.992290
               60             6              61            6                0.970163
               60             6              64            6                0.979838
               60             6              65            1                0.992309
               60             6              66            1                0.985540
               61             6              62            6                0.966139
               61             6              67            1                0.989491
               61             6              68            1                0.992673
               62             6              63            6                0.985276
               62             6              69            1                0.982161
               62             6              70            1                0.992294
               63             6              64            6                0.977669
               63             6              71            1                0.991989
               63             6              72            1                0.988011
               64             6              73            1                0.994365
               64             6              74            1                0.987693
               75             6              76            6                0.974552
               75             6              79            6                0.971561
               75             6              80            1                0.991579
               75             6              81            1                0.984688
               76             6              77            6                0.984137
               76             6              82            1                0.991001
               76             6              83            1                0.989190
               77             6              78            6                0.974781
               77             6              84            1                0.995313
               77             6              85            1                0.988193
               78             6              79            6                0.960593
               78             6              86            1                0.978522
               78             6              87            1                1.005368
               79             6              88            1                0.996642
               79             6              89            1                0.991947
# -----------------------------------------------------------
$ 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     6.1374     6.0000    -0.1374     3.9807     3.6590     0.3217
  1   0     6.2321     6.0000    -0.2321     4.0106     3.6750     0.3356
  2   0     6.1118     6.0000    -0.1118     3.9459     3.6233     0.3226
  3   0     6.1694     6.0000    -0.1694     3.9930     3.6719     0.3211
  4   0     6.2162     6.0000    -0.2162     3.9921     3.6605     0.3316
  5   0     0.9080     1.0000     0.0920     0.9907     0.9406     0.0501
  6   0     0.9085     1.0000     0.0915     0.9859     0.9335     0.0524
  7   0     0.9028     1.0000     0.0972     0.9834     0.9305     0.0529
  8   0     0.9098     1.0000     0.0902     0.9829     0.9286     0.0543
  9   0     0.9097     1.0000     0.0903     0.9894     0.9376     0.0518
 10   0     0.9507     1.0000     0.0493     1.0086     0.9501     0.0585
 11   0     0.9046     1.0000     0.0954     0.9801     0.9284     0.0517
 12   0     0.9205     1.0000     0.0795     0.9846     0.9319     0.0527
 13   0     0.9174     1.0000     0.0826     0.9826     0.9268     0.0558
 14   0     0.9039     1.0000     0.0961     0.9791     0.9236     0.0555
 15   0     6.1816     6.0000    -0.1816     4.0148     3.6982     0.3166
 16   0     6.1363     6.0000    -0.1363     4.0057     3.6904     0.3153
 17   0     6.1986     6.0000    -0.1986     4.0032     3.6757     0.3275
 18   0     6.1926     6.0000    -0.1926     3.9681     3.6391     0.3290
 19   0     6.1602     6.0000    -0.1602     3.9769     3.6545     0.3224
 20   0     0.9151     1.0000     0.0849     0.9823     0.9307     0.0516
 21   0     0.9193     1.0000     0.0807     0.9863     0.9340     0.0523
 22   0     0.9152     1.0000     0.0848     0.9878     0.9371     0.0507
 23   0     0.9009     1.0000     0.0991     0.9846     0.9317     0.0529
 24   0     0.9171     1.0000     0.0829     0.9882     0.9355     0.0527
 25   0     0.9064     1.0000     0.0936     0.9826     0.9288     0.0538
 26   0     0.9108     1.0000     0.0892     0.9864     0.9357     0.0507
 27   0     0.9155     1.0000     0.0845     0.9797     0.9258     0.0539
 28   0     0.8966     1.0000     0.1034     0.9814     0.9296     0.0518
 29   0     0.9283     1.0000     0.0717     0.9865     0.9335     0.0530
 30   0     6.1979     6.0000    -0.1979     3.9973     3.6710     0.3263
 31   0     6.1467     6.0000    -0.1467     4.0174     3.7031     0.3143
 32   0     6.1586     6.0000    -0.1586     4.0103     3.6959     0.3144
 33   0     6.1461     6.0000    -0.1461     4.0037     3.6915     0.3122
 34   0     6.1900     6.0000    -0.1900     3.9954     3.6700     0.3254
 35   0     0.9146     1.0000     0.0854     0.9838     0.9312     0.0526
 36   0     0.9235     1.0000     0.0765     0.9878     0.9366     0.0512
 37   0     0.9015     1.0000     0.0985     0.9812     0.9323     0.0489
 38   0     0.9256     1.0000     0.0744     0.9938     0.9410     0.0528
 39   0     0.9255     1.0000     0.0745     0.9920     0.9418     0.0502
 40   0     0.9030     1.0000     0.0970     0.9813     0.9309     0.0504
 41   0     0.9170     1.0000     0.0830     0.9862     0.9356     0.0506
 42   0     0.9169     1.0000     0.0831     0.9915     0.9425     0.0490
 43   0     0.9168     1.0000     0.0832     0.9830     0.9305     0.0525
 44   0     0.9155     1.0000     0.0845     0.9859     0.9325     0.0534
 45   0     6.1538     6.0000    -0.1538     4.0197     3.6945     0.3252
 46   0     6.1976     6.0000    -0.1976     3.9843     3.6555     0.3288
 47   0     6.2118     6.0000    -0.2118     3.9894     3.6642     0.3252
 48   0     6.1125     6.0000    -0.1125     3.9924     3.6630     0.3294
 49   0     6.1842     6.0000    -0.1842     4.0109     3.6836     0.3273
 50   0     0.9216     1.0000     0.0784     0.9917     0.9378     0.0539
 51   0     0.9118     1.0000     0.0882     0.9921     0.9410     0.0511
 52   0     0.9042     1.0000     0.0958     0.9805     0.9293     0.0512
 53   0     0.9264     1.0000     0.0736     0.9897     0.9363     0.0534
 54   0     0.9180     1.0000     0.0820     0.9847     0.9297     0.0550
 55   0     0.9057     1.0000     0.0943     0.9824     0.9314     0.0510
 56   0     0.9143     1.0000     0.0857     1.0023     0.9484     0.0539
 57   0     0.9310     1.0000     0.0690     1.0165     0.9612     0.0553
 58   0     0.8956     1.0000     0.1044     0.9829     0.9330     0.0499
 59   0     0.9168     1.0000     0.0832     0.9825     0.9302     0.0523
 60   0     6.1916     6.0000    -0.1916     4.0200     3.6972     0.3228
 61   0     6.2247     6.0000    -0.2247     4.0055     3.6798     0.3257
 62   0     6.1006     6.0000    -0.1006     3.9992     3.6880     0.3112
 63   0     6.1735     6.0000    -0.1735     4.0352     3.7176     0.3176
 64   0     6.1452     6.0000    -0.1452     4.0177     3.7005     0.3172
 65   0     0.9225     1.0000     0.0775     0.9914     0.9388     0.0526
 66   0     0.9098     1.0000     0.0902     0.9863     0.9360     0.0503
 67   0     0.9214     1.0000     0.0786     0.9857     0.9329     0.0528
 68   0     0.9101     1.0000     0.0899     0.9834     0.9297     0.0537
 69   0     0.9069     1.0000     0.0931     0.9857     0.9349     0.0508
 70   0     0.9319     1.0000     0.0681     0.9958     0.9458     0.0500
 71   0     0.9303     1.0000     0.0697     0.9882     0.9326     0.0556
 72   0     0.9023     1.0000     0.0977     0.9868     0.9389     0.0479
 73   0     0.9192     1.0000     0.0808     0.9872     0.9362     0.0510
 74   0     0.9095     1.0000     0.0905     0.9853     0.9352     0.0501
 75   0     6.1838     6.0000    -0.1838     4.0073     3.6841     0.3232
 76   0     6.1281     6.0000    -0.1281     3.9914     3.6778     0.3136
 77   0     6.1952     6.0000    -0.1952     4.0467     3.7280     0.3187
 78   0     6.1118     6.0000    -0.1118     3.9826     3.6705     0.3121
 79   0     6.2207     6.0000    -0.2207     4.0100     3.6841     0.3259
 80   0     0.9267     1.0000     0.0733     0.9844     0.9290     0.0554
 81   0     0.8988     1.0000     0.1012     0.9862     0.9376     0.0486
 82   0     0.9187     1.0000     0.0813     0.9868     0.9370     0.0498
 83   0     0.9239     1.0000     0.0761     0.9903     0.9372     0.0531
 84   0     0.9245     1.0000     0.0755     0.9923     0.9403     0.0520
 85   0     0.9070     1.0000     0.0930     0.9803     0.9293     0.0510
 86   0     0.8959     1.0000     0.1041     0.9785     0.9277     0.0508
 87   0     0.9338     1.0000     0.0662     0.9994     0.9493     0.0501
 88   0     0.9179     1.0000     0.0821     0.9903     0.9407     0.0496
 89   0     0.9120     1.0000     0.0880     0.9804     0.9295     0.0509
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.901256
                0             6               4            6                0.903219
                0             6               5            1                0.949583
                0             6               6            1                0.947119
                1             6               2            6                0.885904
                1             6               7            1                0.942848
                1             6               8            1                0.950513
                2             6               3            6                0.899366
                2             6               9            1                0.946021
                2             6              10            1                0.960657
                3             6               4            6                0.899502
                3             6              11            1                0.940949
                3             6              12            1                0.954879
                4             6              13            1                0.950604
                4             6              14            1                0.941938
               15             6              16            6                0.912926
               15             6              19            6                0.906262
               15             6              20            1                0.955210
               15             6              21            1                0.951513
               16             6              17            6                0.916767
               16             6              22            1                0.951120
               16             6              23            1                0.941110
               17             6              18            6                0.891100
               17             6              24            1                0.951133
               17             6              25            1                0.945466
               18             6              19            6                0.892272
               18             6              26            1                0.944912
               18             6              27            1                0.953975
               19             6              28            1                0.937268
               19             6              29            1                0.958989
               30             6              31            6                0.913237
               30             6              34            6                0.895575
               30             6              35            1                0.947958
               30             6              36            1                0.952799
               31             6              32            6                0.915647
               31             6              37            1                0.950466
               31             6              38            1                0.949578
               32             6              33            6                0.907186
               32             6              39            1                0.961440
               32             6              40            1                0.947841
               33             6              34            6                0.909179
               33             6              41            1                0.952611
               33             6              42            1                0.954219
               34             6              43            1                0.956253
               34             6              44            1                0.948627
               45             6              46            6                0.902896
               45             6              49            6                0.908500
               45             6              50            1                0.956846
               45             6              51            1                0.955570
               46             6              47            6                0.896151
               46             6              52            1                0.945840
               46             6              53            1                0.956622
               47             6              48            6                0.898986
               47             6              54            1                0.953103
               47             6              55            1                0.955050
               48             6              49            6                0.907268
               48             6              56            1                0.949321
               48             6              57            1                0.953785
               49             6              58            1                0.948449
               49             6              59            1                0.950474
               60             6              61            6                0.906123
               60             6              64            6                0.916873
               60             6              65            1                0.950672
               60             6              66            1                0.946089
               61             6              62            6                0.904436
               61             6              67            1                0.947970
               61             6              68            1                0.949690
               62             6              63            6                0.923653
               62             6              69            1                0.942215
               62             6              70            1                0.953433
               63             6              64            6                0.913443
               63             6              71            1                0.947761
               63             6              72            1                0.950663
               64             6              73            1                0.953826
               64             6              74            1                0.948240
               75             6              76            6                0.914564
               75             6              79            6                0.904653
               75             6              80            1                0.947384
               75             6              81            1                0.946521
               76             6              77            6                0.920704
               76             6              82            1                0.952038
               76             6              83            1                0.947524
               77             6              78            6                0.913167
               77             6              84            1                0.954323
               77             6              85            1                0.947773
               78             6              79            6                0.897994
               78             6              86            1                0.938194
               78             6              87            1                0.966154
               79             6              88            1                0.957718
               79             6              89            1                0.951236
# -----------------------------------------------------------
$ 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     6.1910     6.0000    -0.1910     3.9768     3.6592     0.3176
  1   0     6.2731     6.0000    -0.2731     3.9958     3.6646     0.3312
  2   0     6.1737     6.0000    -0.1737     3.9384     3.6199     0.3185
  3   0     6.2201     6.0000    -0.2201     3.9686     3.6517     0.3169
  4   0     6.2560     6.0000    -0.2560     3.9723     3.6455     0.3268
  5   0     0.8854     1.0000     0.1146     0.9836     0.9344     0.0492
  6   0     0.8860     1.0000     0.1140     0.9787     0.9273     0.0514
  7   0     0.8802     1.0000     0.1198     0.9756     0.9237     0.0519
  8   0     0.8863     1.0000     0.1137     0.9756     0.9224     0.0532
  9   0     0.8869     1.0000     0.1131     0.9816     0.9308     0.0508
 10   0     0.9127     1.0000     0.0873     0.9970     0.9402     0.0568
 11   0     0.8824     1.0000     0.1176     0.9744     0.9237     0.0507
 12   0     0.8938     1.0000     0.1062     0.9770     0.9255     0.0515
 13   0     0.8916     1.0000     0.1084     0.9742     0.9195     0.0547
 14   0     0.8817     1.0000     0.1183     0.9733     0.9187     0.0546
 15   0     6.2303     6.0000    -0.2303     3.9882     3.6756     0.3126
 16   0     6.1902     6.0000    -0.1902     3.9956     3.6844     0.3112
 17   0     6.2448     6.0000    -0.2448     3.9821     3.6588     0.3233
 18   0     6.2437     6.0000    -0.2437     3.9530     3.6283     0.3247
 19   0     6.2142     6.0000    -0.2142     3.9528     3.6345     0.3183
 20   0     0.8892     1.0000     0.1108     0.9751     0.9246     0.0505
 21   0     0.8927     1.0000     0.1073     0.9783     0.9271     0.0512
 22   0     0.8904     1.0000     0.1096     0.9812     0.9315     0.0497
 23   0     0.8799     1.0000     0.1201     0.9778     0.9258     0.0520
 24   0     0.8903     1.0000     0.1097     0.9806     0.9291     0.0515
 25   0     0.8826     1.0000     0.1174     0.9750     0.9222     0.0528
 26   0     0.8854     1.0000     0.1146     0.9795     0.9300     0.0495
 27   0     0.8882     1.0000     0.1118     0.9715     0.9188     0.0527
 28   0     0.8740     1.0000     0.1260     0.9759     0.9252     0.0507
 29   0     0.8994     1.0000     0.1006     0.9770     0.9251     0.0519
 30   0     6.2513     6.0000    -0.2513     3.9822     3.6599     0.3223
 31   0     6.2021     6.0000    -0.2021     4.0081     3.6977     0.3104
 32   0     6.2088     6.0000    -0.2088     3.9913     3.6806     0.3107
 33   0     6.2018     6.0000    -0.2018     3.9916     3.6831     0.3085
 34   0     6.2332     6.0000    -0.2332     3.9728     3.6515     0.3213
 35   0     0.8882     1.0000     0.1118     0.9754     0.9240     0.0514
 36   0     0.8944     1.0000     0.1056     0.9793     0.9293     0.0500
 37   0     0.8795     1.0000     0.1205     0.9756     0.9276     0.0480
 38   0     0.8968     1.0000     0.1032     0.9824     0.9308     0.0516
 39   0     0.8976     1.0000     0.1024     0.9820     0.9329     0.0491
 40   0     0.8813     1.0000     0.1187     0.9755     0.9260     0.0495
 41   0     0.8916     1.0000     0.1084     0.9783     0.9287     0.0496
 42   0     0.8919     1.0000     0.1081     0.9828     0.9348     0.0480
 43   0     0.8916     1.0000     0.1084     0.9745     0.9230     0.0515
 44   0     0.8896     1.0000     0.1104     0.9773     0.9250     0.0523
 45   0     6.2080     6.0000    -0.2080     3.9981     3.6769     0.3212
 46   0     6.2504     6.0000    -0.2504     3.9716     3.6472     0.3244
 47   0     6.2510     6.0000    -0.2510     3.9652     3.6445     0.3207
 48   0     6.1780     6.0000    -0.1780     3.9863     3.6610     0.3253
 49   0     6.2387     6.0000    -0.2387     4.0018     3.6788     0.3230
 50   0     0.8937     1.0000     0.1063     0.9860     0.9334     0.0526
 51   0     0.8874     1.0000     0.1126     0.9821     0.9320     0.0501
 52   0     0.8801     1.0000     0.1199     0.9739     0.9238     0.0501
 53   0     0.8971     1.0000     0.1029     0.9791     0.9270     0.0521
 54   0     0.8921     1.0000     0.1079     0.9780     0.9243     0.0537
 55   0     0.8809     1.0000     0.1191     0.9767     0.9269     0.0498
 56   0     0.8863     1.0000     0.1137     0.9932     0.9406     0.0526
 57   0     0.8988     1.0000     0.1012     1.0070     0.9532     0.0538
 58   0     0.8705     1.0000     0.1295     0.9742     0.9255     0.0487
 59   0     0.8916     1.0000     0.1084     0.9740     0.9229     0.0511
 60   0     6.2409     6.0000    -0.2409     4.0063     3.6877     0.3186
 61   0     6.2665     6.0000    -0.2665     3.9879     3.6667     0.3212
 62   0     6.1592     6.0000    -0.1592     3.9909     3.6836     0.3073
 63   0     6.2122     6.0000    -0.2122     4.0142     3.7009     0.3133
 64   0     6.1982     6.0000    -0.1982     4.0034     3.6899     0.3135
 65   0     0.8951     1.0000     0.1049     0.9821     0.9307     0.0514
 66   0     0.8859     1.0000     0.1141     0.9798     0.9306     0.0492
 67   0     0.8954     1.0000     0.1046     0.9772     0.9255     0.0517
 68   0     0.8842     1.0000     0.1158     0.9745     0.9220     0.0525
 69   0     0.8851     1.0000     0.1149     0.9789     0.9291     0.0498
 70   0     0.9065     1.0000     0.0935     0.9873     0.9383     0.0490
 71   0     0.9062     1.0000     0.0938     0.9795     0.9249     0.0546
 72   0     0.8829     1.0000     0.1171     0.9806     0.9337     0.0469
 73   0     0.8950     1.0000     0.1050     0.9783     0.9283     0.0500
 74   0     0.8870     1.0000     0.1130     0.9784     0.9293     0.0491
 75   0     6.2279     6.0000    -0.2279     3.9864     3.6675     0.3189
 76   0     6.1818     6.0000    -0.1818     3.9774     3.6678     0.3096
 77   0     6.2369     6.0000    -0.2369     4.0237     3.7090     0.3147
 78   0     6.1697     6.0000    -0.1697     3.9773     3.6691     0.3082
 79   0     6.2697     6.0000    -0.2697     3.9950     3.6732     0.3218
 80   0     0.9022     1.0000     0.0978     0.9760     0.9215     0.0545
 81   0     0.8751     1.0000     0.1249     0.9802     0.9328     0.0474
 82   0     0.8953     1.0000     0.1047     0.9806     0.9318     0.0488
 83   0     0.8977     1.0000     0.1023     0.9809     0.9289     0.0520
 84   0     0.8985     1.0000     0.1015     0.9823     0.9314     0.0509
 85   0     0.8863     1.0000     0.1137     0.9746     0.9245     0.0501
 86   0     0.8767     1.0000     0.1233     0.9742     0.9243     0.0499
 87   0     0.9058     1.0000     0.0942     0.9866     0.9376     0.0490
 88   0     0.8897     1.0000     0.1103     0.9819     0.9336     0.0483
 89   0     0.8859     1.0000     0.1141     0.9722     0.9224     0.0498
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.906709
                0             6               4            6                0.918723
                0             6               5            1                0.940069
                0             6               6            1                0.935460
                1             6               2            6                0.901310
                1             6               7            1                0.930038
                1             6               8            1                0.937244
                2             6               3            6                0.908655
                2             6               9            1                0.932592
                2             6              10            1                0.945262
                3             6               4            6                0.902185
                3             6              11            1                0.928585
                3             6              12            1                0.943510
                4             6              13            1                0.936865
                4             6              14            1                0.929416
               15             6              16            6                0.921518
               15             6              19            6                0.909995
               15             6              20            1                0.943680
               15             6              21            1                0.938825
               16             6              17            6                0.926888
               16             6              22            1                0.940856
               16             6              23            1                0.927242
               17             6              18            6                0.894345
               17             6              24            1                0.939811
               17             6              25            1                0.932213
               18             6              19            6                0.895546
               18             6              26            1                0.935509
               18             6              27            1                0.943298
               19             6              28            1                0.925824
               19             6              29            1                0.948292
               30             6              31            6                0.921661
               30             6              34            6                0.900784
               30             6              35            1                0.936541
               30             6              36            1                0.939683
               31             6              32            6                0.926072
               31             6              37            1                0.941381
               31             6              38            1                0.934952
               32             6              33            6                0.912318
               32             6              39            1                0.950529
               32             6              40            1                0.935458
               33             6              34            6                0.920481
               33             6              41            1                0.941780
               33             6              42            1                0.943245
               34             6              43            1                0.943160
               34             6              44            1                0.934626
               45             6              46            6                0.911050
               45             6              49            6                0.916641
               45             6              50            1                0.941246
               45             6              51            1                0.939759
               46             6              47            6                0.898969
               46             6              52            1                0.935826
               46             6              53            1                0.942450
               47             6              48            6                0.913092
               47             6              54            1                0.937124
               47             6              55            1                0.943853
               48             6              49            6                0.914122
               48             6              56            1                0.935633
               48             6              57            1                0.938137
               49             6              58            1                0.936218
               49             6              59            1                0.937855
               60             6              61            6                0.914673
               60             6              64            6                0.925896
               60             6              65            1                0.936970
               60             6              66            1                0.935497
               61             6              62            6                0.912638
               61             6              67            1                0.935036
               61             6              68            1                0.934656
               62             6              63            6                0.936692
               62             6              69            1                0.930545
               62             6              70            1                0.940686
               63             6              64            6                0.919351
               63             6              71            1                0.930193
               63             6              72            1                0.940141
               64             6              73            1                0.940939
               64             6              74            1                0.935974
               75             6              76            6                0.925474
               75             6              79            6                0.907812
               75             6              80            1                0.933099
               75             6              81            1                0.934527
               76             6              77            6                0.929542
               76             6              82            1                0.939772
               76             6              83            1                0.932350
               77             6              78            6                0.923118
               77             6              84            1                0.940014
               77             6              85            1                0.934549
               78             6              79            6                0.910169
               78             6              86            1                0.928301
               78             6              87            1                0.951077
               79             6              88            1                0.945026
               79             6              89            1                0.940414
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2226428408
        Correlation Energy:       -5.0540257209
        Total MP2 Energy:      -1176.2766685617
# -----------------------------------------------------------
$ 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) :        0.2258133181
        Electronic Contribution:
                  0    
      0      -0.655837
      1       0.089252
      2      -0.736202
        Nuclear Contribution:
                  0    
      0       0.586438
      1      -0.048200
      2       0.698905
        Total Dipole moment:
                  0    
      0      -0.069399
      1       0.041051
      2      -0.037297
# -----------------------------------------------------------
$ 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) :        0.2249103787
        Electronic Contribution:
                  0    
      0      -0.655388
      1       0.089947
      2      -0.735410
        Nuclear Contribution:
                  0    
      0       0.586438
      1      -0.048200
      2       0.698905
        Total Dipole moment:
                  0    
      0      -0.068950
      1       0.041747
      2      -0.036506
# -----------------------------------------------------------
$ 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) :        0.1890313743
        Electronic Contribution:
                  0    
      0      -0.648574
      1       0.088261
      2      -0.706960
        Nuclear Contribution:
                  0    
      0       0.586438
      1      -0.048200
      2       0.698905
        Total Dipole moment:
                  0    
      0      -0.062137
      1       0.040061
      2      -0.008055
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     22.380000000000   18.280000000000   16.660000000000
               1 C     21.600000000000   16.880000000000   16.940000000000
               2 C     22.590000000000   16.110000000000   17.860000000000
               3 C     23.960000000000   16.770000000000   17.950000000000
               4 C     23.750000000000   18.180000000000   17.350000000000
               5 H     21.770000000000   19.060000000000   17.060000000000
               6 H     22.600000000000   18.380000000000   15.580000000000
               7 H     21.300000000000   16.280000000000   16.050000000000
               8 H     20.610000000000   17.090000000000   17.430000000000
               9 H     22.680000000000   15.040000000000   17.630000000000
              10 H     22.170000000000   16.210000000000   18.920000000000
              11 H     24.770000000000   16.160000000000   17.500000000000
              12 H     24.200000000000   17.000000000000   18.990000000000
              13 H     24.560000000000   18.280000000000   16.560000000000
              14 H     23.980000000000   18.970000000000   18.170000000000
              15 C     13.360000000000   17.790000000000   20.850000000000
              16 C     13.980000000000   17.770000000000   19.450000000000
              17 C     15.370000000000   17.160000000000   19.630000000000
              18 C     15.670000000000   17.020000000000   21.190000000000
              19 C     14.350000000000   17.370000000000   21.930000000000
              20 H     12.510000000000   17.120000000000   20.920000000000
              21 H     13.000000000000   18.770000000000   21.150000000000
              22 H     14.110000000000   18.790000000000   19.140000000000
              23 H     13.320000000000   17.200000000000   18.720000000000
              24 H     16.170000000000   17.780000000000   19.230000000000
              25 H     15.550000000000   16.130000000000   19.210000000000
              26 H     16.500000000000   17.600000000000   21.540000000000
              27 H     15.850000000000   15.930000000000   21.350000000000
              28 H     14.480000000000   18.000000000000   22.840000000000
              29 H     13.990000000000   16.400000000000   22.260000000000
              30 C     18.210000000000   21.240000000000   20.660000000000
              31 C     16.850000000000   21.960000000000   20.810000000000
              32 C     16.890000000000   23.110000000000   19.810000000000
              33 C     18.360000000000   23.390000000000   19.350000000000
              34 C     19.200000000000   22.340000000000   20.040000000000
              35 H     18.250000000000   20.330000000000   20.060000000000
              36 H     18.640000000000   20.880000000000   21.550000000000
              37 H     16.610000000000   22.300000000000   21.790000000000
              38 H     16.120000000000   21.190000000000   20.560000000000
              39 H     16.570000000000   23.930000000000   20.370000000000
              40 H     16.290000000000   23.060000000000   18.910000000000
              41 H     18.700000000000   24.360000000000   19.680000000000
              42 H     18.460000000000   23.320000000000   18.310000000000
              43 H     19.800000000000   22.800000000000   20.830000000000
              44 H     19.960000000000   21.800000000000   19.440000000000
              45 C     20.720000000000   18.140000000000   22.810000000000
              46 C     21.160000000000   17.330000000000   21.530000000000
              47 C     20.080000000000   16.240000000000   21.320000000000
              48 C     19.220000000000   16.090000000000   22.600000000000
              49 C     19.730000000000   17.210000000000   23.600000000000
              50 H     20.240000000000   19.100000000000   22.530000000000
              51 H     21.610000000000   18.400000000000   23.360000000000
              52 H     22.170000000000   16.920000000000   21.540000000000
              53 H     21.090000000000   17.950000000000   20.640000000000
              54 H     20.700000000000   15.340000000000   21.120000000000
              55 H     19.510000000000   16.460000000000   20.430000000000
              56 H     19.340000000000   15.080000000000   23.060000000000
              57 H     18.150000000000   16.210000000000   22.270000000000
              58 H     20.190000000000   16.790000000000   24.480000000000
              59 H     18.910000000000   17.870000000000   23.870000000000
              60 C     19.840000000000   11.930000000000   22.790000000000
              61 C     21.070000000000   12.270000000000   23.680000000000
              62 C     22.030000000000   11.160000000000   23.330000000000
              63 C     21.170000000000    9.940000000000   23.000000000000
              64 C     19.760000000000   10.410000000000   22.570000000000
              65 H     20.080000000000   12.460000000000   21.870000000000
              66 H     18.940000000000   12.310000000000   23.220000000000
              67 H     20.870000000000   12.270000000000   24.760000000000
              68 H     21.520000000000   13.280000000000   23.470000000000
              69 H     22.730000000000   10.990000000000   24.160000000000
              70 H     22.480000000000   11.550000000000   22.470000000000
              71 H     20.950000000000    9.440000000000   23.990000000000
              72 H     21.490000000000    9.250000000000   22.290000000000
              73 H     19.010000000000   10.020000000000   23.250000000000
              74 H     19.510000000000   10.210000000000   21.540000000000
              75 C     19.090000000000   16.760000000000   27.320000000000
              76 C     17.810000000000   16.760000000000   28.090000000000
              77 C     17.500000000000   15.310000000000   28.550000000000
              78 C     18.180000000000   14.400000000000   27.540000000000
              79 C     19.110000000000   15.290000000000   26.710000000000
              80 H     19.950000000000   16.870000000000   28.070000000000
              81 H     19.180000000000   17.520000000000   26.600000000000
              82 H     16.990000000000   17.070000000000   27.500000000000
              83 H     17.970000000000   17.450000000000   28.940000000000
              84 H     16.430000000000   15.140000000000   28.470000000000
              85 H     17.810000000000   15.100000000000   29.580000000000
              86 H     17.530000000000   13.720000000000   26.950000000000
              87 H     18.900000000000   13.880000000000   28.060000000000
              88 H     18.790000000000   15.340000000000   25.720000000000
              89 H     20.150000000000   15.010000000000   26.750000000000
