-------------------------------------------------------------
----------------------- !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:    -1171.2020005385
# -----------------------------------------------------------
$ 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     6.1910     6.0000    -0.1910     3.8989     3.8989    -0.0000
  1   0     6.1854     6.0000    -0.1854     3.8802     3.8802    -0.0000
  2   0     6.1525     6.0000    -0.1525     3.9049     3.9049    -0.0000
  3   0     6.1070     6.0000    -0.1070     3.8596     3.8596     0.0000
  4   0     6.1758     6.0000    -0.1758     3.8879     3.8879    -0.0000
  5   0     0.8976     1.0000     0.1024     0.9718     0.9718    -0.0000
  6   0     0.9237     1.0000     0.0763     0.9762     0.9762    -0.0000
  7   0     0.9076     1.0000     0.0924     0.9693     0.9693     0.0000
  8   0     0.9166     1.0000     0.0834     0.9778     0.9778     0.0000
  9   0     0.9130     1.0000     0.0870     0.9754     0.9754    -0.0000
 10   0     0.9071     1.0000     0.0929     0.9737     0.9737     0.0000
 11   0     1.0118     1.0000    -0.0118     1.0112     1.0112     0.0000
 12   0     0.9052     1.0000     0.0948     0.9780     0.9780     0.0000
 13   0     0.9064     1.0000     0.0936     0.9695     0.9695    -0.0000
 14   0     0.9139     1.0000     0.0861     0.9726     0.9726    -0.0000
 15   0     6.0834     6.0000    -0.0834     3.8556     3.8556    -0.0000
 16   0     6.1789     6.0000    -0.1789     3.9478     3.9478    -0.0000
 17   0     6.0931     6.0000    -0.0931     3.9095     3.9095    -0.0000
 18   0     6.2128     6.0000    -0.2128     3.8957     3.8957    -0.0000
 19   0     6.1901     6.0000    -0.1901     3.9217     3.9217    -0.0000
 20   0     0.9024     1.0000     0.0976     0.9707     0.9707     0.0000
 21   0     0.9610     1.0000     0.0390     1.0081     1.0081     0.0000
 22   0     0.9337     1.0000     0.0663     0.9804     0.9804    -0.0000
 23   0     0.9139     1.0000     0.0861     0.9769     0.9769    -0.0000
 24   0     0.9051     1.0000     0.0949     0.9743     0.9743    -0.0000
 25   0     0.9372     1.0000     0.0628     0.9895     0.9895    -0.0000
 26   0     0.9000     1.0000     0.1000     0.9685     0.9685    -0.0000
 27   0     0.9190     1.0000     0.0810     0.9723     0.9723    -0.0000
 28   0     0.9517     1.0000     0.0483     0.9770     0.9770    -0.0000
 29   0     0.9154     1.0000     0.0846     0.9787     0.9787    -0.0000
 30   0     6.1678     6.0000    -0.1678     3.8591     3.8591    -0.0000
 31   0     6.1657     6.0000    -0.1657     3.8610     3.8610    -0.0000
 32   0     6.1693     6.0000    -0.1693     3.8606     3.8606     0.0000
 33   0     6.1595     6.0000    -0.1595     3.8645     3.8645     0.0000
 34   0     6.1852     6.0000    -0.1852     3.9026     3.9026     0.0000
 35   0     0.9279     1.0000     0.0721     0.9785     0.9785     0.0000
 36   0     0.9118     1.0000     0.0882     0.9793     0.9793    -0.0000
 37   0     0.9071     1.0000     0.0929     0.9731     0.9731     0.0000
 38   0     0.9298     1.0000     0.0702     0.9828     0.9828    -0.0000
 39   0     0.9128     1.0000     0.0872     0.9722     0.9722     0.0000
 40   0     0.9051     1.0000     0.0949     0.9683     0.9683     0.0000
 41   0     0.9101     1.0000     0.0899     0.9733     0.9733     0.0000
 42   0     0.9132     1.0000     0.0868     0.9737     0.9737     0.0000
 43   0     0.9164     1.0000     0.0836     0.9763     0.9763     0.0000
 44   0     0.9061     1.0000     0.0939     0.9764     0.9764    -0.0000
 45   0     6.1913     6.0000    -0.1913     3.8836     3.8836     0.0000
 46   0     6.1372     6.0000    -0.1372     3.8702     3.8702    -0.0000
 47   0     6.1984     6.0000    -0.1984     3.9165     3.9165    -0.0000
 48   0     6.1326     6.0000    -0.1326     3.8940     3.8940     0.0000
 49   0     6.1675     6.0000    -0.1675     3.8826     3.8826     0.0000
 50   0     0.9020     1.0000     0.0980     0.9680     0.9680    -0.0000
 51   0     0.9168     1.0000     0.0832     0.9758     0.9758     0.0000
 52   0     0.9239     1.0000     0.0761     0.9746     0.9746     0.0000
 53   0     0.9208     1.0000     0.0792     0.9821     0.9821     0.0000
 54   0     0.9174     1.0000     0.0826     0.9721     0.9721     0.0000
 55   0     0.9145     1.0000     0.0855     0.9698     0.9698     0.0000
 56   0     0.9161     1.0000     0.0839     0.9724     0.9724    -0.0000
 57   0     0.9298     1.0000     0.0702     0.9780     0.9780    -0.0000
 58   0     0.9056     1.0000     0.0944     0.9787     0.9787     0.0000
 59   0     0.9235     1.0000     0.0765     0.9782     0.9782    -0.0000
 60   0     6.1844     6.0000    -0.1844     3.8964     3.8964     0.0000
 61   0     6.1661     6.0000    -0.1661     3.8868     3.8868    -0.0000
 62   0     6.1645     6.0000    -0.1645     3.9017     3.9017    -0.0000
 63   0     6.1691     6.0000    -0.1691     3.8831     3.8831     0.0000
 64   0     6.1449     6.0000    -0.1449     3.8925     3.8925     0.0000
 65   0     0.9258     1.0000     0.0742     0.9723     0.9723     0.0000
 66   0     0.9046     1.0000     0.0954     0.9725     0.9725     0.0000
 67   0     0.9216     1.0000     0.0784     0.9735     0.9735    -0.0000
 68   0     0.9158     1.0000     0.0842     0.9735     0.9735    -0.0000
 69   0     0.9215     1.0000     0.0785     0.9786     0.9786    -0.0000
 70   0     0.9106     1.0000     0.0894     0.9770     0.9770    -0.0000
 71   0     0.9070     1.0000     0.0930     0.9767     0.9767    -0.0000
 72   0     0.9258     1.0000     0.0742     0.9825     0.9825     0.0000
 73   0     0.9190     1.0000     0.0810     0.9805     0.9805    -0.0000
 74   0     0.9196     1.0000     0.0804     0.9764     0.9764     0.0000
 75   0     6.2054     6.0000    -0.2054     3.8862     3.8862     0.0000
 76   0     6.1183     6.0000    -0.1183     3.9116     3.9116    -0.0000
 77   0     6.2036     6.0000    -0.2036     3.9074     3.9074    -0.0000
 78   0     6.1149     6.0000    -0.1149     3.8583     3.8583     0.0000
 79   0     6.1643     6.0000    -0.1643     3.8860     3.8860    -0.0000
 80   0     0.9180     1.0000     0.0820     0.9713     0.9713     0.0000
 81   0     0.9105     1.0000     0.0895     0.9775     0.9775     0.0000
 82   0     0.9000     1.0000     0.1000     0.9711     0.9711     0.0000
 83   0     0.9291     1.0000     0.0709     0.9837     0.9837    -0.0000
 84   0     0.9289     1.0000     0.0711     0.9736     0.9736     0.0000
 85   0     0.9149     1.0000     0.0851     0.9687     0.9687     0.0000
 86   0     0.9611     1.0000     0.0389     1.0047     1.0047    -0.0000
 87   0     0.9021     1.0000     0.0979     0.9778     0.9778     0.0000
 88   0     0.9157     1.0000     0.0843     0.9724     0.9724    -0.0000
 89   0     0.9153     1.0000     0.0847     0.9777     0.9777    -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                0.962744
                0             6               4            6                0.974610
                0             6               5            1                0.985895
                0             6               6            1                0.999378
                1             6               2            6                0.975062
                1             6               7            1                0.990490
                1             6               8            1                0.995259
                2             6               3            6                0.966565
                2             6               9            1                0.992511
                2             6              10            1                0.989465
                3             6               4            6                0.954380
                3             6              11            1                1.002512
                3             6              12            1                0.987118
                4             6              13            1                0.992879
                4             6              14            1                0.989466
               15             6              16            6                0.966654
               15             6              19            6                0.973852
               15             6              20            1                0.980306
               15             6              21            1                1.002412
               16             6              17            6                0.993125
               16             6              22            1                0.994160
               16             6              23            1                0.989785
               17             6              18            6                0.956863
               17             6              24            1                0.981898
               17             6              25            1                1.008337
               18             6              19            6                0.977065
               18             6              26            1                0.983330
               18             6              27            1                0.999842
               19             6              28            1                1.001310
               19             6              29            1                0.992201
               30             6              31            6                0.949358
               30             6              34            6                0.969671
               30             6              35            1                1.000268
               30             6              36            1                0.989047
               31             6              32            6                0.954689
               31             6              37            1                0.977474
               31             6              38            1                1.008596
               32             6              33            6                0.954998
               32             6              39            1                0.989413
               32             6              40            1                0.996820
               33             6              34            6                0.961613
               33             6              41            1                0.995257
               33             6              42            1                0.993948
               34             6              43            1                0.990397
               34             6              44            1                0.994293
               45             6              46            6                0.967998
               45             6              49            6                0.958292
               45             6              50            1                0.989231
               45             6              51            1                0.996849
               46             6              47            6                0.967496
               46             6              52            1                0.994160
               46             6              53            1                0.981504
               47             6              48            6                0.983849
               47             6              54            1                0.993998
               47             6              55            1                0.991552
               48             6              49            6                0.969107
               48             6              56            1                0.993781
               48             6              57            1                0.998008
               49             6              58            1                0.993378
               49             6              59            1                0.995251
               60             6              61            6                0.965275
               60             6              64            6                0.972564
               60             6              65            1                0.998933
               60             6              66            1                0.990841
               61             6              62            6                0.972161
               61             6              67            1                0.991921
               61             6              68            1                0.994416
               62             6              63            6                0.965250
               62             6              69            1                0.998204
               62             6              70            1                0.993066
               63             6              64            6                0.967714
               63             6              71            1                0.985152
               63             6              72            1                0.994966
               64             6              73            1                0.992690
               64             6              74            1                0.987949
               75             6              76            6                0.972091
               75             6              79            6                0.962205
               75             6              80            1                0.997241
               75             6              81            1                0.991669
               76             6              77            6                0.993903
               76             6              82            1                0.977886
               76             6              83            1                0.995349
               77             6              78            6                0.946441
               77             6              84            1                0.987702
               77             6              85            1                0.991061
               78             6              79            6                0.970120
               78             6              86            1                1.006833
               78             6              87            1                0.984747
               79             6              88            1                0.986229
               79             6              89            1                0.989478
# -----------------------------------------------------------
$ 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     4.0092     3.6849     0.3243
  1   0     6.1932     6.0000    -0.1932     3.9923     3.6670     0.3253
  2   0     6.1608     6.0000    -0.1608     4.0146     3.6951     0.3195
  3   0     6.1138     6.0000    -0.1138     3.9669     3.6367     0.3302
  4   0     6.1838     6.0000    -0.1838     4.0003     3.6711     0.3292
  5   0     0.8939     1.0000     0.1061     0.9806     0.9298     0.0508
  6   0     0.9200     1.0000     0.0800     0.9860     0.9328     0.0532
  7   0     0.9038     1.0000     0.0962     0.9785     0.9250     0.0535
  8   0     0.9126     1.0000     0.0874     0.9871     0.9348     0.0523
  9   0     0.9089     1.0000     0.0911     0.9845     0.9336     0.0509
 10   0     0.9032     1.0000     0.0968     0.9828     0.9329     0.0499
 11   0     1.0087     1.0000    -0.0087     1.0254     0.9619     0.0635
 12   0     0.9011     1.0000     0.0989     0.9866     0.9350     0.0516
 13   0     0.9025     1.0000     0.0975     0.9786     0.9263     0.0523
 14   0     0.9100     1.0000     0.0900     0.9822     0.9288     0.0534
 15   0     6.0927     6.0000    -0.0927     3.9670     3.6414     0.3256
 16   0     6.1864     6.0000    -0.1864     4.0577     3.7298     0.3279
 17   0     6.1022     6.0000    -0.1022     4.0170     3.6945     0.3225
 18   0     6.2211     6.0000    -0.2211     4.0103     3.6828     0.3275
 19   0     6.1981     6.0000    -0.1981     4.0331     3.7063     0.3268
 20   0     0.8983     1.0000     0.1017     0.9795     0.9281     0.0514
 21   0     0.9565     1.0000     0.0435     1.0189     0.9622     0.0567
 22   0     0.9294     1.0000     0.0706     0.9903     0.9346     0.0557
 23   0     0.9098     1.0000     0.0902     0.9861     0.9324     0.0537
 24   0     0.9009     1.0000     0.0991     0.9830     0.9328     0.0502
 25   0     0.9332     1.0000     0.0668     0.9994     0.9460     0.0534
 26   0     0.8957     1.0000     0.1043     0.9769     0.9270     0.0499
 27   0     0.9146     1.0000     0.0854     0.9813     0.9288     0.0525
 28   0     0.9474     1.0000     0.0526     0.9876     0.9302     0.0574
 29   0     0.9113     1.0000     0.0887     0.9880     0.9357     0.0523
 30   0     6.1745     6.0000    -0.1745     3.9691     3.6409     0.3282
 31   0     6.1730     6.0000    -0.1730     3.9704     3.6487     0.3217
 32   0     6.1782     6.0000    -0.1782     3.9750     3.6488     0.3262
 33   0     6.1677     6.0000    -0.1677     3.9754     3.6573     0.3181
 34   0     6.1934     6.0000    -0.1934     4.0143     3.6930     0.3213
 35   0     0.9242     1.0000     0.0758     0.9888     0.9303     0.0585
 36   0     0.9079     1.0000     0.0921     0.9885     0.9378     0.0507
 37   0     0.9033     1.0000     0.0967     0.9822     0.9298     0.0524
 38   0     0.9264     1.0000     0.0736     0.9933     0.9423     0.0510
 39   0     0.9086     1.0000     0.0914     0.9815     0.9293     0.0522
 40   0     0.9011     1.0000     0.0989     0.9772     0.9247     0.0525
 41   0     0.9058     1.0000     0.0942     0.9820     0.9335     0.0485
 42   0     0.9095     1.0000     0.0905     0.9831     0.9293     0.0538
 43   0     0.9123     1.0000     0.0877     0.9855     0.9332     0.0523
 44   0     0.9024     1.0000     0.0976     0.9854     0.9356     0.0498
 45   0     6.1998     6.0000    -0.1998     3.9998     3.6671     0.3327
 46   0     6.1442     6.0000    -0.1442     3.9781     3.6570     0.3211
 47   0     6.2067     6.0000    -0.2067     4.0277     3.7074     0.3203
 48   0     6.1399     6.0000    -0.1399     3.9996     3.6853     0.3143
 49   0     6.1753     6.0000    -0.1753     3.9937     3.6682     0.3255
 50   0     0.8982     1.0000     0.1018     0.9772     0.9259     0.0513
 51   0     0.9127     1.0000     0.0873     0.9851     0.9328     0.0523
 52   0     0.9197     1.0000     0.0803     0.9841     0.9304     0.0537
 53   0     0.9171     1.0000     0.0829     0.9922     0.9388     0.0534
 54   0     0.9134     1.0000     0.0866     0.9814     0.9282     0.0532
 55   0     0.9108     1.0000     0.0892     0.9793     0.9251     0.0542
 56   0     0.9123     1.0000     0.0877     0.9820     0.9300     0.0520
 57   0     0.9259     1.0000     0.0741     0.9878     0.9354     0.0524
 58   0     0.9018     1.0000     0.0982     0.9877     0.9382     0.0495
 59   0     0.9197     1.0000     0.0803     0.9879     0.9359     0.0520
 60   0     6.1918     6.0000    -0.1918     4.0061     3.6845     0.3216
 61   0     6.1740     6.0000    -0.1740     3.9968     3.6737     0.3231
 62   0     6.1719     6.0000    -0.1719     4.0095     3.6913     0.3182
 63   0     6.1757     6.0000    -0.1757     3.9926     3.6673     0.3253
 64   0     6.1528     6.0000    -0.1528     4.0014     3.6762     0.3252
 65   0     0.9220     1.0000     0.0780     0.9822     0.9287     0.0535
 66   0     0.9009     1.0000     0.0991     0.9815     0.9286     0.0529
 67   0     0.9179     1.0000     0.0821     0.9833     0.9287     0.0546
 68   0     0.9120     1.0000     0.0880     0.9829     0.9305     0.0524
 69   0     0.9178     1.0000     0.0822     0.9883     0.9378     0.0505
 70   0     0.9070     1.0000     0.0930     0.9863     0.9369     0.0494
 71   0     0.9032     1.0000     0.0968     0.9858     0.9350     0.0508
 72   0     0.9223     1.0000     0.0777     0.9928     0.9383     0.0545
 73   0     0.9154     1.0000     0.0846     0.9903     0.9393     0.0510
 74   0     0.9157     1.0000     0.0843     0.9858     0.9306     0.0552
 75   0     6.2127     6.0000    -0.2127     3.9980     3.6710     0.3270
 76   0     6.1258     6.0000    -0.1258     4.0170     3.7004     0.3166
 77   0     6.2110     6.0000    -0.2110     4.0190     3.6884     0.3306
 78   0     6.1229     6.0000    -0.1229     3.9681     3.6396     0.3285
 79   0     6.1719     6.0000    -0.1719     3.9956     3.6693     0.3263
 80   0     0.9143     1.0000     0.0857     0.9811     0.9275     0.0536
 81   0     0.9068     1.0000     0.0932     0.9867     0.9357     0.0510
 82   0     0.8963     1.0000     0.1037     0.9800     0.9304     0.0496
 83   0     0.9252     1.0000     0.0748     0.9933     0.9422     0.0511
 84   0     0.9252     1.0000     0.0748     0.9842     0.9285     0.0557
 85   0     0.9109     1.0000     0.0891     0.9783     0.9248     0.0535
 86   0     0.9572     1.0000     0.0428     1.0154     0.9586     0.0568
 87   0     0.8983     1.0000     0.1017     0.9866     0.9365     0.0501
 88   0     0.9119     1.0000     0.0881     0.9820     0.9281     0.0539
 89   0     0.9115     1.0000     0.0885     0.9872     0.9356     0.0516
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.898963
                0             6               4            6                0.911137
                0             6               5            1                0.945579
                0             6               6            1                0.956829
                1             6               2            6                0.913218
                1             6               7            1                0.947553
                1             6               8            1                0.953582
                2             6               3            6                0.902531
                2             6               9            1                0.952068
                2             6              10            1                0.950070
                3             6               4            6                0.888828
                3             6              11            1                0.954129
                3             6              12            1                0.945522
                4             6              13            1                0.950829
                4             6              14            1                0.947037
               15             6              16            6                0.904455
               15             6              19            6                0.911207
               15             6              20            1                0.938926
               15             6              21            1                0.957798
               16             6              17            6                0.928949
               16             6              22            1                0.949534
               16             6              23            1                0.946838
               17             6              18            6                0.892359
               17             6              24            1                0.941757
               17             6              25            1                0.965789
               18             6              19            6                0.914597
               18             6              26            1                0.943067
               18             6              27            1                0.957304
               19             6              28            1                0.955599
               19             6              29            1                0.950528
               30             6              31            6                0.884496
               30             6              34            6                0.905855
               30             6              35            1                0.953197
               30             6              36            1                0.949146
               31             6              32            6                0.892096
               31             6              37            1                0.935929
               31             6              38            1                0.968842
               32             6              33            6                0.893166
               32             6              39            1                0.947767
               32             6              40            1                0.954135
               33             6              34            6                0.901557
               33             6              41            1                0.956622
               33             6              42            1                0.950727
               34             6              43            1                0.948623
               34             6              44            1                0.954746
               45             6              46            6                0.903917
               45             6              49            6                0.891831
               45             6              50            1                0.948149
               45             6              51            1                0.954949
               46             6              47            6                0.906948
               46             6              52            1                0.950855
               46             6              53            1                0.939506
               47             6              48            6                0.924812
               47             6              54            1                0.951360
               47             6              55            1                0.948298
               48             6              49            6                0.904843
               48             6              56            1                0.952717
               48             6              57            1                0.956478
               49             6              58            1                0.954273
               49             6              59            1                0.954189
               60             6              61            6                0.904900
               60             6              64            6                0.909340
               60             6              65            1                0.956308
               60             6              66            1                0.948395
               61             6              62            6                0.907782
               61             6              67            1                0.948382
               61             6              68            1                0.952609
               62             6              63            6                0.901423
               62             6              69            1                0.958426
               62             6              70            1                0.954110
               63             6              64            6                0.902624
               63             6              71            1                0.944812
               63             6              72            1                0.951747
               64             6              73            1                0.952808
               64             6              74            1                0.943520
               75             6              76            6                0.908011
               75             6              79            6                0.897112
               75             6              80            1                0.954457
               75             6              81            1                0.951387
               76             6              77            6                0.930144
               76             6              82            1                0.938769
               76             6              83            1                0.954938
               77             6              78            6                0.881103
               77             6              84            1                0.943896
               77             6              85            1                0.948383
               78             6              79            6                0.905508
               78             6              86            1                0.961466
               78             6              87            1                0.944804
               79             6              88            1                0.943402
               79             6              89            1                0.948754
# -----------------------------------------------------------
$ 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     6.2446     6.0000    -0.2446     3.9964     3.6762     0.3202
  1   0     6.2340     6.0000    -0.2340     3.9763     3.6553     0.3210
  2   0     6.2122     6.0000    -0.2122     4.0039     3.6886     0.3153
  3   0     6.1785     6.0000    -0.1785     3.9697     3.6438     0.3259
  4   0     6.2273     6.0000    -0.2273     3.9881     3.6633     0.3248
  5   0     0.8735     1.0000     0.1265     0.9731     0.9232     0.0499
  6   0     0.8929     1.0000     0.1071     0.9762     0.9241     0.0521
  7   0     0.8818     1.0000     0.1182     0.9735     0.9210     0.0525
  8   0     0.8896     1.0000     0.1104     0.9786     0.9273     0.0513
  9   0     0.8834     1.0000     0.1166     0.9761     0.9263     0.0498
 10   0     0.8831     1.0000     0.1169     0.9764     0.9274     0.0490
 11   0     0.9620     1.0000     0.0380     1.0189     0.9573     0.0616
 12   0     0.8788     1.0000     0.1212     0.9763     0.9258     0.0505
 13   0     0.8800     1.0000     0.1200     0.9721     0.9210     0.0511
 14   0     0.8869     1.0000     0.1131     0.9728     0.9204     0.0524
 15   0     6.1663     6.0000    -0.1663     3.9681     3.6468     0.3213
 16   0     6.2221     6.0000    -0.2221     4.0270     3.7039     0.3231
 17   0     6.1709     6.0000    -0.1709     4.0072     3.6886     0.3186
 18   0     6.2700     6.0000    -0.2700     3.9935     3.6706     0.3229
 19   0     6.2407     6.0000    -0.2407     3.9983     3.6764     0.3219
 20   0     0.8746     1.0000     0.1254     0.9739     0.9238     0.0501
 21   0     0.9265     1.0000     0.0735     1.0177     0.9626     0.0551
 22   0     0.9057     1.0000     0.0943     0.9888     0.9344     0.0544
 23   0     0.8858     1.0000     0.1142     0.9779     0.9255     0.0524
 24   0     0.8824     1.0000     0.1176     0.9769     0.9277     0.0492
 25   0     0.9002     1.0000     0.0998     0.9913     0.9394     0.0519
 26   0     0.8741     1.0000     0.1259     0.9723     0.9235     0.0488
 27   0     0.8842     1.0000     0.1158     0.9723     0.9212     0.0511
 28   0     0.9185     1.0000     0.0815     0.9831     0.9272     0.0559
 29   0     0.8825     1.0000     0.1175     0.9812     0.9303     0.0509
 30   0     6.2069     6.0000    -0.2069     3.9439     3.6203     0.3236
 31   0     6.2316     6.0000    -0.2316     3.9575     3.6398     0.3177
 32   0     6.2292     6.0000    -0.2292     3.9514     3.6294     0.3220
 33   0     6.2251     6.0000    -0.2251     3.9613     3.6472     0.3141
 34   0     6.2421     6.0000    -0.2421     3.9982     3.6813     0.3169
 35   0     0.9001     1.0000     0.0999     0.9842     0.9269     0.0573
 36   0     0.8862     1.0000     0.1138     0.9828     0.9331     0.0497
 37   0     0.8810     1.0000     0.1190     0.9761     0.9247     0.0514
 38   0     0.8954     1.0000     0.1046     0.9852     0.9355     0.0497
 39   0     0.8865     1.0000     0.1135     0.9754     0.9243     0.0511
 40   0     0.8753     1.0000     0.1247     0.9711     0.9198     0.0513
 41   0     0.8818     1.0000     0.1182     0.9750     0.9275     0.0475
 42   0     0.8813     1.0000     0.1187     0.9738     0.9212     0.0526
 43   0     0.8898     1.0000     0.1102     0.9766     0.9253     0.0513
 44   0     0.8769     1.0000     0.1231     0.9807     0.9320     0.0487
 45   0     6.2443     6.0000    -0.2443     3.9905     3.6621     0.3284
 46   0     6.1998     6.0000    -0.1998     3.9801     3.6635     0.3166
 47   0     6.2505     6.0000    -0.2505     4.0069     3.6912     0.3157
 48   0     6.1948     6.0000    -0.1948     3.9826     3.6724     0.3102
 49   0     6.2288     6.0000    -0.2288     3.9802     3.6584     0.3218
 50   0     0.8752     1.0000     0.1248     0.9719     0.9217     0.0502
 51   0     0.8888     1.0000     0.1112     0.9763     0.9251     0.0512
 52   0     0.8965     1.0000     0.1035     0.9770     0.9243     0.0527
 53   0     0.8880     1.0000     0.1120     0.9843     0.9322     0.0521
 54   0     0.8863     1.0000     0.1137     0.9716     0.9196     0.0520
 55   0     0.8866     1.0000     0.1134     0.9746     0.9215     0.0531
 56   0     0.8884     1.0000     0.1116     0.9748     0.9238     0.0510
 57   0     0.8974     1.0000     0.1026     0.9786     0.9274     0.0512
 58   0     0.8788     1.0000     0.1212     0.9783     0.9298     0.0485
 59   0     0.8928     1.0000     0.1072     0.9789     0.9280     0.0509
 60   0     6.2380     6.0000    -0.2380     3.9897     3.6725     0.3172
 61   0     6.2210     6.0000    -0.2210     3.9777     3.6588     0.3189
 62   0     6.2266     6.0000    -0.2266     3.9964     3.6820     0.3144
 63   0     6.2220     6.0000    -0.2220     3.9838     3.6628     0.3210
 64   0     6.2101     6.0000    -0.2101     3.9917     3.6706     0.3211
 65   0     0.8948     1.0000     0.1052     0.9722     0.9197     0.0525
 66   0     0.8774     1.0000     0.1226     0.9733     0.9214     0.0519
 67   0     0.8927     1.0000     0.1073     0.9743     0.9207     0.0536
 68   0     0.8872     1.0000     0.1128     0.9749     0.9236     0.0513
 69   0     0.8915     1.0000     0.1085     0.9778     0.9283     0.0495
 70   0     0.8820     1.0000     0.1180     0.9778     0.9294     0.0484
 71   0     0.8806     1.0000     0.1194     0.9793     0.9295     0.0498
 72   0     0.8972     1.0000     0.1028     0.9840     0.9307     0.0533
 73   0     0.8901     1.0000     0.1099     0.9807     0.9308     0.0499
 74   0     0.8891     1.0000     0.1109     0.9779     0.9239     0.0540
 75   0     6.2552     6.0000    -0.2552     3.9775     3.6547     0.3228
 76   0     6.1867     6.0000    -0.1867     4.0023     3.6895     0.3128
 77   0     6.2492     6.0000    -0.2492     4.0016     3.6756     0.3260
 78   0     6.1873     6.0000    -0.1873     3.9634     3.6389     0.3245
 79   0     6.2163     6.0000    -0.2163     3.9835     3.6615     0.3220
 80   0     0.8895     1.0000     0.1105     0.9728     0.9203     0.0525
 81   0     0.8823     1.0000     0.1177     0.9782     0.9283     0.0499
 82   0     0.8761     1.0000     0.1239     0.9753     0.9266     0.0487
 83   0     0.8957     1.0000     0.1043     0.9816     0.9317     0.0499
 84   0     0.8983     1.0000     0.1017     0.9795     0.9251     0.0544
 85   0     0.8886     1.0000     0.1114     0.9714     0.9190     0.0524
 86   0     0.9218     1.0000     0.0782     1.0012     0.9459     0.0553
 87   0     0.8759     1.0000     0.1241     0.9783     0.9292     0.0491
 88   0     0.8893     1.0000     0.1107     0.9756     0.9227     0.0529
 89   0     0.8883     1.0000     0.1117     0.9795     0.9289     0.0506
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.907880
                0             6               4            6                0.922976
                0             6               5            1                0.932439
                0             6               6            1                0.943708
                1             6               2            6                0.923684
                1             6               7            1                0.933881
                1             6               8            1                0.939436
                2             6               3            6                0.913737
                2             6               9            1                0.937671
                2             6              10            1                0.936620
                3             6               4            6                0.901879
                3             6              11            1                0.943556
                3             6              12            1                0.927945
                4             6              13            1                0.937912
                4             6              14            1                0.931771
               15             6              16            6                0.916817
               15             6              19            6                0.918237
               15             6              20            1                0.925918
               15             6              21            1                0.939901
               16             6              17            6                0.939112
               16             6              22            1                0.930036
               16             6              23            1                0.930272
               17             6              18            6                0.900392
               17             6              24            1                0.927095
               17             6              25            1                0.950194
               18             6              19            6                0.918972
               18             6              26            1                0.929882
               18             6              27            1                0.943573
               19             6              28            1                0.937310
               19             6              29            1                0.936847
               30             6              31            6                0.893086
               30             6              34            6                0.914884
               30             6              35            1                0.936878
               30             6              36            1                0.939165
               31             6              32            6                0.893289
               31             6              37            1                0.922284
               31             6              38            1                0.962467
               32             6              33            6                0.903365
               32             6              39            1                0.933072
               32             6              40            1                0.942011
               33             6              34            6                0.908215
               33             6              41            1                0.944549
               33             6              42            1                0.935029
               34             6              43            1                0.932763
               34             6              44            1                0.942379
               45             6              46            6                0.916281
               45             6              49            6                0.899073
               45             6              50            1                0.938125
               45             6              51            1                0.940406
               46             6              47            6                0.917181
               46             6              52            1                0.937511
               46             6              53            1                0.928610
               47             6              48            6                0.938159
               47             6              54            1                0.936150
               47             6              55            1                0.931158
               48             6              49            6                0.911356
               48             6              56            1                0.937675
               48             6              57            1                0.942985
               49             6              58            1                0.940049
               49             6              59            1                0.942644
               60             6              61            6                0.916807
               60             6              64            6                0.917614
               60             6              65            1                0.941850
               60             6              66            1                0.933217
               61             6              62            6                0.913549
               61             6              67            1                0.933735
               61             6              68            1                0.939889
               62             6              63            6                0.909661
               62             6              69            1                0.945307
               62             6              70            1                0.944134
               63             6              64            6                0.913217
               63             6              71            1                0.935094
               63             6              72            1                0.938453
               64             6              73            1                0.941543
               64             6              74            1                0.929992
               75             6              76            6                0.912771
               75             6              79            6                0.905638
               75             6              80            1                0.940809
               75             6              81            1                0.939286
               76             6              77            6                0.936880
               76             6              82            1                0.929363
               76             6              83            1                0.943154
               77             6              78            6                0.892730
               77             6              84            1                0.931925
               77             6              85            1                0.934346
               78             6              79            6                0.917943
               78             6              86            1                0.943934
               78             6              87            1                0.933750
               79             6              88            1                0.930040
               79             6              89            1                0.938150
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2020005385
        Correlation Energy:       -5.0748586159
        Total MP2 Energy:      -1176.2768591544
# -----------------------------------------------------------
$ 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) :        0.1222192514
        Electronic Contribution:
                  0    
      0       0.187960
      1      -0.556177
      2      -0.187401
        Nuclear Contribution:
                  0    
      0      -0.224935
      1       0.586438
      2       0.192801
        Total Dipole moment:
                  0    
      0      -0.036975
      1       0.030261
      2       0.005400
# -----------------------------------------------------------
$ 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) :        0.1240027593
        Electronic Contribution:
                  0    
      0       0.187397
      1      -0.555615
      2      -0.188233
        Nuclear Contribution:
                  0    
      0      -0.224935
      1       0.586438
      2       0.192801
        Total Dipole moment:
                  0    
      0      -0.037538
      1       0.030823
      2       0.004568
# -----------------------------------------------------------
$ 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) :        0.1507226436
        Electronic Contribution:
                  0    
      0       0.193866
      1      -0.535945
      2      -0.191610
        Nuclear Contribution:
                  0    
      0      -0.224935
      1       0.586438
      2       0.192801
        Total Dipole moment:
                  0    
      0      -0.031069
      1       0.050493
      2       0.001192
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     19.410000000000   23.390000000000   14.840000000000
               1 C     18.770000000000   22.100000000000   15.470000000000
               2 C     17.290000000000   22.370000000000   15.730000000000
               3 C     17.160000000000   23.910000000000   15.920000000000
               4 C     18.410000000000   24.530000000000   15.160000000000
               5 H     19.790000000000   23.300000000000   13.820000000000
               6 H     20.320000000000   23.650000000000   15.380000000000
               7 H     19.350000000000   21.810000000000   16.390000000000
               8 H     18.830000000000   21.250000000000   14.770000000000
               9 H     16.890000000000   21.960000000000   16.640000000000
              10 H     16.800000000000   21.930000000000   14.880000000000
              11 H     17.180000000000   24.260000000000   17.000000000000
              12 H     16.170000000000   24.300000000000   15.660000000000
              13 H     18.910000000000   25.340000000000   15.710000000000
              14 H     18.050000000000   25.020000000000   14.230000000000
              15 C     18.070000000000   25.970000000000   18.870000000000
              16 C     19.070000000000   24.830000000000   19.040000000000
              17 C     18.340000000000   23.510000000000   19.350000000000
              18 C     16.890000000000   23.940000000000   19.740000000000
              19 C     16.870000000000   25.450000000000   19.650000000000
              20 H     17.770000000000   26.260000000000   17.860000000000
              21 H     18.470000000000   26.920000000000   19.340000000000
              22 H     19.760000000000   25.160000000000   19.870000000000
              23 H     19.760000000000   24.610000000000   18.200000000000
              24 H     18.770000000000   22.890000000000   20.130000000000
              25 H     18.270000000000   22.930000000000   18.430000000000
              26 H     16.590000000000   23.620000000000   20.730000000000
              27 H     16.180000000000   23.560000000000   18.990000000000
              28 H     16.930000000000   25.850000000000   20.710000000000
              29 H     15.930000000000   25.820000000000   19.260000000000
              30 C     19.820000000000   27.360000000000   22.460000000000
              31 C     18.760000000000   28.460000000000   22.190000000000
              32 C     19.230000000000   29.060000000000   20.850000000000
              33 C     20.570000000000   28.440000000000   20.410000000000
              34 C     20.950000000000   27.340000000000   21.370000000000
              35 H     19.070000000000   26.490000000000   22.370000000000
              36 H     20.200000000000   27.530000000000   23.450000000000
              37 H     18.590000000000   29.170000000000   23.040000000000
              38 H     17.870000000000   27.970000000000   21.990000000000
              39 H     19.430000000000   30.140000000000   20.890000000000
              40 H     18.370000000000   28.950000000000   20.160000000000
              41 H     21.320000000000   29.170000000000   20.350000000000
              42 H     20.560000000000   28.060000000000   19.360000000000
              43 H     21.930000000000   27.550000000000   21.840000000000
              44 H     21.110000000000   26.380000000000   20.950000000000
              45 C     12.340000000000   24.160000000000   21.690000000000
              46 C     13.530000000000   23.510000000000   20.920000000000
              47 C     12.940000000000   22.500000000000   19.980000000000
              48 C     11.520000000000   22.290000000000   20.360000000000
              49 C     10.960000000000   23.470000000000   21.200000000000
              50 H     12.340000000000   25.240000000000   21.590000000000
              51 H     12.500000000000   23.940000000000   22.750000000000
              52 H     14.120000000000   22.850000000000   21.600000000000
              53 H     14.130000000000   24.280000000000   20.400000000000
              54 H     13.450000000000   21.520000000000   20.050000000000
              55 H     13.050000000000   22.710000000000   18.880000000000
              56 H     11.260000000000   21.390000000000   20.920000000000
              57 H     10.900000000000   22.280000000000   19.480000000000
              58 H     10.270000000000   23.220000000000   21.970000000000
              59 H     10.350000000000   24.080000000000   20.550000000000
              60 C     13.010000000000   28.370000000000   16.570000000000
              61 C     11.590000000000   28.390000000000   17.100000000000
              62 C     11.280000000000   27.100000000000   17.940000000000
              63 C     12.570000000000   26.230000000000   17.870000000000
              64 C     13.590000000000   26.980000000000   16.900000000000
              65 H     13.620000000000   29.110000000000   17.100000000000
              66 H     13.230000000000   28.700000000000   15.520000000000
              67 H     10.900000000000   28.500000000000   16.220000000000
              68 H     11.360000000000   29.280000000000   17.700000000000
              69 H     10.460000000000   26.620000000000   17.470000000000
              70 H     10.920000000000   27.390000000000   18.890000000000
              71 H     12.370000000000   25.200000000000   17.600000000000
              72 H     12.870000000000   26.240000000000   18.930000000000
              73 H     13.700000000000   26.500000000000   15.960000000000
              74 H     14.630000000000   27.040000000000   17.370000000000
              75 C     14.420000000000   26.430000000000   26.250000000000
              76 C     15.770000000000   26.350000000000   25.460000000000
              77 C     15.530000000000   27.030000000000   24.090000000000
              78 C     13.970000000000   27.060000000000   23.840000000000
              79 C     13.280000000000   26.760000000000   25.220000000000
              80 H     14.320000000000   27.270000000000   26.960000000000
              81 H     14.220000000000   25.560000000000   26.860000000000
              82 H     16.180000000000   25.350000000000   25.480000000000
              83 H     16.380000000000   27.030000000000   25.990000000000
              84 H     16.110000000000   26.490000000000   23.290000000000
              85 H     15.910000000000   28.080000000000   24.120000000000
              86 H     13.850000000000   26.190000000000   23.150000000000
              87 H     13.620000000000   27.900000000000   23.260000000000
              88 H     12.640000000000   25.840000000000   25.210000000000
              89 H     12.710000000000   27.660000000000   25.450000000000
