-------------------------------------------------------------
----------------------- !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:    -1171.2005792566
# -----------------------------------------------------------
$ 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     6.1385     6.0000    -0.1385     3.8762     3.8762    -0.0000
  1   0     6.1772     6.0000    -0.1772     3.8746     3.8746    -0.0000
  2   0     6.1696     6.0000    -0.1696     3.8926     3.8926    -0.0000
  3   0     6.1763     6.0000    -0.1763     3.8707     3.8707    -0.0000
  4   0     6.1860     6.0000    -0.1860     3.8876     3.8876    -0.0000
  5   0     0.9321     1.0000     0.0679     0.9810     0.9810    -0.0000
  6   0     0.9085     1.0000     0.0915     0.9760     0.9760    -0.0000
  7   0     0.9205     1.0000     0.0795     0.9739     0.9739    -0.0000
  8   0     0.9062     1.0000     0.0938     0.9813     0.9813    -0.0000
  9   0     0.9083     1.0000     0.0917     0.9774     0.9774    -0.0000
 10   0     0.9132     1.0000     0.0868     0.9774     0.9774    -0.0000
 11   0     0.9242     1.0000     0.0758     0.9744     0.9744    -0.0000
 12   0     0.9048     1.0000     0.0952     0.9755     0.9755     0.0000
 13   0     0.9158     1.0000     0.0842     0.9692     0.9692     0.0000
 14   0     0.9151     1.0000     0.0849     0.9699     0.9699     0.0000
 15   0     6.1372     6.0000    -0.1372     3.8889     3.8889    -0.0000
 16   0     6.2054     6.0000    -0.2054     3.8899     3.8899    -0.0000
 17   0     6.1060     6.0000    -0.1060     3.8201     3.8201    -0.0000
 18   0     6.1728     6.0000    -0.1728     3.9173     3.9173     0.0000
 19   0     6.1518     6.0000    -0.1518     3.9144     3.9144    -0.0000
 20   0     0.9177     1.0000     0.0823     0.9817     0.9817    -0.0000
 21   0     0.9204     1.0000     0.0796     0.9763     0.9763     0.0000
 22   0     0.9187     1.0000     0.0813     0.9680     0.9680    -0.0000
 23   0     0.9151     1.0000     0.0849     0.9770     0.9770    -0.0000
 24   0     0.9746     1.0000     0.0254     1.0136     1.0136    -0.0000
 25   0     0.9074     1.0000     0.0926     0.9709     0.9709    -0.0000
 26   0     0.9174     1.0000     0.0826     0.9679     0.9679     0.0000
 27   0     0.9236     1.0000     0.0764     0.9798     0.9798    -0.0000
 28   0     0.9180     1.0000     0.0820     0.9774     0.9774    -0.0000
 29   0     0.9149     1.0000     0.0851     0.9750     0.9750    -0.0000
 30   0     6.1395     6.0000    -0.1395     3.8879     3.8879     0.0000
 31   0     6.1628     6.0000    -0.1628     3.8887     3.8887    -0.0000
 32   0     6.1509     6.0000    -0.1509     3.9084     3.9084     0.0000
 33   0     6.1642     6.0000    -0.1642     3.8815     3.8815     0.0000
 34   0     6.2002     6.0000    -0.2002     3.8778     3.8778    -0.0000
 35   0     0.9359     1.0000     0.0641     1.0023     1.0023     0.0000
 36   0     0.9029     1.0000     0.0971     0.9732     0.9732     0.0000
 37   0     0.9249     1.0000     0.0751     0.9805     0.9805    -0.0000
 38   0     0.8820     1.0000     0.1180     0.9605     0.9605     0.0000
 39   0     0.9034     1.0000     0.0966     0.9721     0.9721    -0.0000
 40   0     0.9312     1.0000     0.0688     0.9913     0.9913     0.0000
 41   0     0.9457     1.0000     0.0543     0.9772     0.9772     0.0000
 42   0     0.9036     1.0000     0.0964     0.9748     0.9748     0.0000
 43   0     0.9258     1.0000     0.0742     0.9737     0.9737     0.0000
 44   0     0.9251     1.0000     0.0749     0.9749     0.9749     0.0000
 45   0     6.1891     6.0000    -0.1891     3.9141     3.9141    -0.0000
 46   0     6.1318     6.0000    -0.1318     3.8556     3.8556    -0.0000
 47   0     6.1907     6.0000    -0.1907     3.8902     3.8902    -0.0000
 48   0     6.1550     6.0000    -0.1550     3.9136     3.9136     0.0000
 49   0     6.1333     6.0000    -0.1333     3.8977     3.8977     0.0000
 50   0     0.9188     1.0000     0.0812     0.9751     0.9751     0.0000
 51   0     0.9181     1.0000     0.0819     0.9737     0.9737    -0.0000
 52   0     0.9061     1.0000     0.0939     0.9746     0.9746    -0.0000
 53   0     0.9358     1.0000     0.0642     0.9862     0.9862    -0.0000
 54   0     0.9183     1.0000     0.0817     0.9701     0.9701    -0.0000
 55   0     0.9258     1.0000     0.0742     0.9763     0.9763    -0.0000
 56   0     0.9227     1.0000     0.0773     0.9720     0.9720    -0.0000
 57   0     0.9141     1.0000     0.0859     0.9754     0.9754     0.0000
 58   0     0.9271     1.0000     0.0729     0.9729     0.9729     0.0000
 59   0     0.9144     1.0000     0.0856     0.9749     0.9749     0.0000
 60   0     6.1441     6.0000    -0.1441     3.8767     3.8767     0.0000
 61   0     6.0732     6.0000    -0.0732     3.8721     3.8721     0.0000
 62   0     6.1513     6.0000    -0.1513     3.9307     3.9307     0.0000
 63   0     6.1521     6.0000    -0.1521     3.9146     3.9146    -0.0000
 64   0     6.1740     6.0000    -0.1740     3.9082     3.9082    -0.0000
 65   0     0.9444     1.0000     0.0556     0.9801     0.9801     0.0000
 66   0     0.9293     1.0000     0.0707     0.9839     0.9839     0.0000
 67   0     0.9245     1.0000     0.0755     0.9834     0.9834     0.0000
 68   0     1.0020     1.0000    -0.0020     1.0180     1.0180     0.0000
 69   0     0.9100     1.0000     0.0900     0.9741     0.9741     0.0000
 70   0     0.9281     1.0000     0.0719     0.9787     0.9787     0.0000
 71   0     0.9201     1.0000     0.0799     0.9805     0.9805     0.0000
 72   0     0.9187     1.0000     0.0813     0.9700     0.9700    -0.0000
 73   0     0.9061     1.0000     0.0939     0.9730     0.9730    -0.0000
 74   0     0.9340     1.0000     0.0660     0.9690     0.9690    -0.0000
 75   0     6.2080     6.0000    -0.2080     3.8924     3.8924    -0.0000
 76   0     6.2162     6.0000    -0.2162     3.8551     3.8551    -0.0000
 77   0     6.1223     6.0000    -0.1223     3.8615     3.8615    -0.0000
 78   0     6.1887     6.0000    -0.1887     3.9066     3.9066    -0.0000
 79   0     6.1182     6.0000    -0.1182     3.8746     3.8746    -0.0000
 80   0     0.8981     1.0000     0.1019     0.9701     0.9701    -0.0000
 81   0     0.9235     1.0000     0.0765     0.9749     0.9749    -0.0000
 82   0     0.9337     1.0000     0.0663     0.9740     0.9740     0.0000
 83   0     0.9132     1.0000     0.0868     0.9751     0.9751    -0.0000
 84   0     0.9151     1.0000     0.0849     0.9685     0.9685    -0.0000
 85   0     0.9001     1.0000     0.0999     0.9738     0.9738    -0.0000
 86   0     0.9192     1.0000     0.0808     0.9802     0.9802     0.0000
 87   0     0.9106     1.0000     0.0894     0.9740     0.9740     0.0000
 88   0     0.9100     1.0000     0.0900     0.9757     0.9757    -0.0000
 89   0     0.9149     1.0000     0.0851     0.9819     0.9819    -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                0.957739
                0             6               4            6                0.976101
                0             6               5            1                0.986035
                0             6               6            1                0.987040
                1             6               2            6                0.960627
                1             6               7            1                0.997641
                1             6               8            1                0.991280
                2             6               3            6                0.968092
                2             6               9            1                0.999785
                2             6              10            1                0.985492
                3             6               4            6                0.956925
                3             6              11            1                0.998923
                3             6              12            1                0.986345
                4             6              13            1                0.994803
                4             6              14            1                0.986198
               15             6              16            6                0.959131
               15             6              19            6                0.983271
               15             6              20            1                0.991951
               15             6              21            1                0.990832
               16             6              17            6                0.953037
               16             6              22            1                0.995355
               16             6              23            1                0.994854
               17             6              18            6                0.955974
               17             6              24            1                1.002286
               17             6              25            1                0.977882
               18             6              19            6                0.984735
               18             6              26            1                0.996104
               18             6              27            1                0.989912
               19             6              28            1                0.991519
               19             6              29            1                0.987880
               30             6              31            6                0.961783
               30             6              34            6                0.965821
               30             6              35            1                0.998769
               30             6              36            1                0.994899
               31             6              32            6                0.973525
               31             6              37            1                0.991737
               31             6              38            1                0.977003
               32             6              33            6                0.966128
               32             6              39            1                0.988563
               32             6              40            1                0.999847
               33             6              34            6                0.961013
               33             6              41            1                1.009440
               33             6              42            1                0.987006
               34             6              43            1                0.987677
               34             6              44            1                0.994140
               45             6              46            6                0.968836
               45             6              49            6                0.974333
               45             6              50            1                0.990591
               45             6              51            1                0.994695
               46             6              47            6                0.953091
               46             6              52            1                0.986425
               46             6              53            1                0.994465
               47             6              48            6                0.974954
               47             6              54            1                0.994496
               47             6              55            1                0.999031
               48             6              49            6                0.984136
               48             6              56            1                0.993694
               48             6              57            1                0.986457
               49             6              58            1                0.996352
               49             6              59            1                0.986604
               60             6              61            6                0.951907
               60             6              64            6                0.963066
               60             6              65            1                0.994877
               60             6              66            1                0.999730
               61             6              62            6                0.969860
               61             6              67            1                0.996553
               61             6              68            1                1.002050
               62             6              63            6                0.989719
               62             6              69            1                0.987077
               62             6              70            1                1.000890
               63             6              64            6                0.978408
               63             6              71            1                0.988674
               63             6              72            1                0.993141
               64             6              73            1                0.988423
               64             6              74            1                1.001212
               75             6              76            6                0.966634
               75             6              79            6                0.965486
               75             6              80            1                0.989648
               75             6              81            1                0.988330
               76             6              77            6                0.960193
               76             6              82            1                0.988494
               76             6              83            1                0.991865
               77             6              78            6                0.966914
               77             6              84            1                0.996165
               77             6              85            1                0.980807
               78             6              79            6                0.978013
               78             6              86            1                0.999371
               78             6              87            1                0.990744
               79             6              88            1                0.982401
               79             6              89            1                0.992569
# -----------------------------------------------------------
$ 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     6.1464     6.0000    -0.1464     3.9853     3.6610     0.3243
  1   0     6.1842     6.0000    -0.1842     3.9855     3.6603     0.3252
  2   0     6.1775     6.0000    -0.1775     4.0031     3.6781     0.3250
  3   0     6.1838     6.0000    -0.1838     3.9818     3.6557     0.3261
  4   0     6.1942     6.0000    -0.1942     4.0003     3.6725     0.3278
  5   0     0.9283     1.0000     0.0717     0.9911     0.9337     0.0574
  6   0     0.9045     1.0000     0.0955     0.9848     0.9329     0.0519
  7   0     0.9167     1.0000     0.0833     0.9839     0.9295     0.0544
  8   0     0.9026     1.0000     0.0974     0.9907     0.9405     0.0502
  9   0     0.9044     1.0000     0.0956     0.9862     0.9381     0.0481
 10   0     0.9095     1.0000     0.0905     0.9868     0.9345     0.0523
 11   0     0.9203     1.0000     0.0797     0.9841     0.9300     0.0541
 12   0     0.9012     1.0000     0.0988     0.9847     0.9350     0.0497
 13   0     0.9116     1.0000     0.0884     0.9787     0.9247     0.0540
 14   0     0.9112     1.0000     0.0888     0.9792     0.9250     0.0542
 15   0     6.1450     6.0000    -0.1450     3.9962     3.6784     0.3178
 16   0     6.2137     6.0000    -0.2137     4.0028     3.6802     0.3226
 17   0     6.1126     6.0000    -0.1126     3.9249     3.6102     0.3147
 18   0     6.1809     6.0000    -0.1809     4.0251     3.7080     0.3171
 19   0     6.1597     6.0000    -0.1597     4.0214     3.7009     0.3205
 20   0     0.9138     1.0000     0.0862     0.9910     0.9397     0.0513
 21   0     0.9166     1.0000     0.0834     0.9857     0.9339     0.0518
 22   0     0.9147     1.0000     0.0853     0.9773     0.9266     0.0507
 23   0     0.9112     1.0000     0.0888     0.9862     0.9351     0.0511
 24   0     0.9710     1.0000     0.0290     1.0251     0.9705     0.0546
 25   0     0.9036     1.0000     0.0964     0.9801     0.9258     0.0543
 26   0     0.9135     1.0000     0.0865     0.9773     0.9222     0.0551
 27   0     0.9196     1.0000     0.0804     0.9892     0.9373     0.0519
 28   0     0.9141     1.0000     0.0859     0.9866     0.9316     0.0550
 29   0     0.9110     1.0000     0.0890     0.9843     0.9320     0.0523
 30   0     6.1482     6.0000    -0.1482     3.9997     3.6730     0.3267
 31   0     6.1705     6.0000    -0.1705     4.0012     3.6734     0.3278
 32   0     6.1594     6.0000    -0.1594     4.0193     3.6929     0.3264
 33   0     6.1722     6.0000    -0.1722     3.9922     3.6709     0.3213
 34   0     6.2076     6.0000    -0.2076     3.9909     3.6634     0.3275
 35   0     0.9319     1.0000     0.0681     1.0121     0.9576     0.0545
 36   0     0.8989     1.0000     0.1011     0.9818     0.9321     0.0497
 37   0     0.9210     1.0000     0.0790     0.9904     0.9374     0.0530
 38   0     0.8777     1.0000     0.1223     0.9686     0.9203     0.0483
 39   0     0.8993     1.0000     0.1007     0.9808     0.9300     0.0508
 40   0     0.9271     1.0000     0.0729     1.0012     0.9495     0.0517
 41   0     0.9418     1.0000     0.0582     0.9881     0.9346     0.0535
 42   0     0.8996     1.0000     0.1004     0.9835     0.9335     0.0500
 43   0     0.9214     1.0000     0.0786     0.9832     0.9289     0.0543
 44   0     0.9209     1.0000     0.0791     0.9846     0.9312     0.0534
 45   0     6.1968     6.0000    -0.1968     4.0233     3.7046     0.3187
 46   0     6.1389     6.0000    -0.1389     3.9635     3.6441     0.3194
 47   0     6.1990     6.0000    -0.1990     4.0027     3.6739     0.3288
 48   0     6.1628     6.0000    -0.1628     4.0195     3.7086     0.3109
 49   0     6.1411     6.0000    -0.1411     4.0034     3.6914     0.3120
 50   0     0.9150     1.0000     0.0850     0.9846     0.9315     0.0531
 51   0     0.9143     1.0000     0.0857     0.9832     0.9327     0.0505
 52   0     0.9020     1.0000     0.0980     0.9834     0.9339     0.0495
 53   0     0.9327     1.0000     0.0673     0.9975     0.9440     0.0535
 54   0     0.9144     1.0000     0.0856     0.9797     0.9242     0.0555
 55   0     0.9220     1.0000     0.0780     0.9862     0.9327     0.0535
 56   0     0.9188     1.0000     0.0812     0.9816     0.9286     0.0530
 57   0     0.9103     1.0000     0.0897     0.9845     0.9337     0.0508
 58   0     0.9230     1.0000     0.0770     0.9825     0.9301     0.0524
 59   0     0.9106     1.0000     0.0894     0.9843     0.9337     0.0506
 60   0     6.1522     6.0000    -0.1522     3.9864     3.6684     0.3180
 61   0     6.0806     6.0000    -0.0806     3.9748     3.6632     0.3116
 62   0     6.1593     6.0000    -0.1593     4.0361     3.7262     0.3099
 63   0     6.1601     6.0000    -0.1601     4.0209     3.7057     0.3152
 64   0     6.1820     6.0000    -0.1820     4.0157     3.6996     0.3161
 65   0     0.9404     1.0000     0.0596     0.9907     0.9373     0.0534
 66   0     0.9249     1.0000     0.0751     0.9935     0.9414     0.0521
 67   0     0.9203     1.0000     0.0797     0.9924     0.9434     0.0490
 68   0     0.9987     1.0000     0.0013     1.0317     0.9736     0.0581
 69   0     0.9060     1.0000     0.0940     0.9830     0.9349     0.0481
 70   0     0.9242     1.0000     0.0758     0.9881     0.9371     0.0510
 71   0     0.9161     1.0000     0.0839     0.9899     0.9396     0.0503
 72   0     0.9147     1.0000     0.0853     0.9793     0.9256     0.0537
 73   0     0.9023     1.0000     0.0977     0.9819     0.9320     0.0499
 74   0     0.9301     1.0000     0.0699     0.9790     0.9228     0.0562
 75   0     6.2149     6.0000    -0.2149     4.0048     3.6748     0.3300
 76   0     6.2243     6.0000    -0.2243     3.9725     3.6400     0.3325
 77   0     6.1314     6.0000    -0.1314     3.9729     3.6474     0.3255
 78   0     6.1960     6.0000    -0.1960     4.0165     3.6951     0.3214
 79   0     6.1271     6.0000    -0.1271     3.9862     3.6567     0.3295
 80   0     0.8940     1.0000     0.1060     0.9786     0.9274     0.0512
 81   0     0.9197     1.0000     0.0803     0.9849     0.9304     0.0545
 82   0     0.9295     1.0000     0.0705     0.9840     0.9289     0.0551
 83   0     0.9091     1.0000     0.0909     0.9843     0.9332     0.0511
 84   0     0.9111     1.0000     0.0889     0.9779     0.9245     0.0534
 85   0     0.8958     1.0000     0.1042     0.9823     0.9331     0.0492
 86   0     0.9153     1.0000     0.0847     0.9897     0.9363     0.0534
 87   0     0.9067     1.0000     0.0933     0.9833     0.9340     0.0493
 88   0     0.9059     1.0000     0.0941     0.9847     0.9308     0.0539
 89   0     0.9107     1.0000     0.0893     0.9910     0.9405     0.0505
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.895340
                0             6               4            6                0.914613
                0             6               5            1                0.940381
                0             6               6            1                0.945544
                1             6               2            6                0.895137
                1             6               7            1                0.954120
                1             6               8            1                0.951849
                2             6               3            6                0.902179
                2             6               9            1                0.961624
                2             6              10            1                0.944108
                3             6               4            6                0.893426
                3             6              11            1                0.955545
                3             6              12            1                0.947185
                4             6              13            1                0.951462
                4             6              14            1                0.942805
               15             6              16            6                0.896100
               15             6              19            6                0.920612
               15             6              20            1                0.951385
               15             6              21            1                0.949823
               16             6              17            6                0.890747
               16             6              22            1                0.954866
               16             6              23            1                0.954288
               17             6              18            6                0.896697
               17             6              24            1                0.960429
               17             6              25            1                0.934019
               18             6              19            6                0.923630
               18             6              26            1                0.951623
               18             6              27            1                0.949103
               19             6              28            1                0.947065
               19             6              29            1                0.946387
               30             6              31            6                0.897544
               30             6              34            6                0.902040
               30             6              35            1                0.955368
               30             6              36            1                0.954875
               31             6              32            6                0.907507
               31             6              37            1                0.949585
               31             6              38            1                0.938403
               32             6              33            6                0.901873
               32             6              39            1                0.947658
               32             6              40            1                0.959267
               33             6              34            6                0.899297
               33             6              41            1                0.967354
               33             6              42            1                0.947173
               34             6              43            1                0.944213
               34             6              44            1                0.951513
               45             6              46            6                0.907312
               45             6              49            6                0.911737
               45             6              50            1                0.948404
               45             6              51            1                0.954887
               46             6              47            6                0.886917
               46             6              52            1                0.947104
               46             6              53            1                0.953212
               47             6              48            6                0.914933
               47             6              54            1                0.949763
               47             6              55            1                0.956533
               48             6              49            6                0.925020
               48             6              56            1                0.951438
               48             6              57            1                0.946406
               49             6              58            1                0.954582
               49             6              59            1                0.946861
               60             6              61            6                0.889216
               60             6              64            6                0.904047
               60             6              65            1                0.953138
               60             6              66            1                0.957961
               61             6              62            6                0.909397
               61             6              67            1                0.957357
               61             6              68            1                0.958819
               62             6              63            6                0.927695
               62             6              69            1                0.949436
               62             6              70            1                0.960178
               63             6              64            6                0.916847
               63             6              71            1                0.949370
               63             6              72            1                0.949894
               64             6              73            1                0.949042
               64             6              74            1                0.955869
               75             6              76            6                0.903994
               75             6              79            6                0.899070
               75             6              80            1                0.948175
               75             6              81            1                0.944924
               76             6              77            6                0.894637
               76             6              82            1                0.944356
               76             6              83            1                0.951261
               77             6              78            6                0.904333
               77             6              84            1                0.952931
               77             6              85            1                0.941723
               78             6              79            6                0.913935
               78             6              86            1                0.956723
               78             6              87            1                0.952104
               79             6              88            1                0.938999
               79             6              89            1                0.952279
# -----------------------------------------------------------
$ 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     6.2008     6.0000    -0.2008     3.9786     3.6588     0.3198
  1   0     6.2279     6.0000    -0.2279     3.9728     3.6520     0.3208
  2   0     6.2295     6.0000    -0.2295     3.9844     3.6633     0.3211
  3   0     6.2320     6.0000    -0.2320     3.9619     3.6399     0.3220
  4   0     6.2354     6.0000    -0.2354     3.9815     3.6584     0.3231
  5   0     0.8989     1.0000     0.1011     0.9828     0.9267     0.0561
  6   0     0.8822     1.0000     0.1178     0.9760     0.9251     0.0509
  7   0     0.8926     1.0000     0.1074     0.9748     0.9215     0.0533
  8   0     0.8797     1.0000     0.1203     0.9857     0.9366     0.0491
  9   0     0.8807     1.0000     0.1193     0.9776     0.9304     0.0472
 10   0     0.8863     1.0000     0.1137     0.9802     0.9289     0.0513
 11   0     0.8950     1.0000     0.1050     0.9752     0.9221     0.0531
 12   0     0.8764     1.0000     0.1236     0.9791     0.9305     0.0486
 13   0     0.8900     1.0000     0.1100     0.9707     0.9177     0.0530
 14   0     0.8869     1.0000     0.1131     0.9743     0.9213     0.0530
 15   0     6.2029     6.0000    -0.2029     3.9829     3.6689     0.3140
 16   0     6.2579     6.0000    -0.2579     3.9819     3.6637     0.3182
 17   0     6.1736     6.0000    -0.1736     3.9204     3.6100     0.3104
 18   0     6.2254     6.0000    -0.2254     4.0056     3.6931     0.3125
 19   0     6.2068     6.0000    -0.2068     4.0010     3.6848     0.3162
 20   0     0.8884     1.0000     0.1116     0.9825     0.9323     0.0502
 21   0     0.8914     1.0000     0.1086     0.9783     0.9275     0.0508
 22   0     0.8886     1.0000     0.1114     0.9710     0.9215     0.0495
 23   0     0.8855     1.0000     0.1145     0.9779     0.9279     0.0500
 24   0     0.9383     1.0000     0.0617     1.0155     0.9623     0.0532
 25   0     0.8804     1.0000     0.1196     0.9738     0.9206     0.0532
 26   0     0.8898     1.0000     0.1102     0.9717     0.9177     0.0540
 27   0     0.8942     1.0000     0.1058     0.9812     0.9305     0.0507
 28   0     0.8903     1.0000     0.1097     0.9788     0.9248     0.0540
 29   0     0.8890     1.0000     0.1110     0.9781     0.9268     0.0513
 30   0     6.2064     6.0000    -0.2064     3.9855     3.6631     0.3224
 31   0     6.2232     6.0000    -0.2232     3.9870     3.6633     0.3237
 32   0     6.2095     6.0000    -0.2095     3.9911     3.6689     0.3222
 33   0     6.2271     6.0000    -0.2271     3.9619     3.6448     0.3171
 34   0     6.2422     6.0000    -0.2422     3.9608     3.6383     0.3225
 35   0     0.9031     1.0000     0.0969     1.0015     0.9484     0.0531
 36   0     0.8761     1.0000     0.1239     0.9788     0.9303     0.0485
 37   0     0.8943     1.0000     0.1057     0.9832     0.9315     0.0517
 38   0     0.8593     1.0000     0.1407     0.9663     0.9191     0.0472
 39   0     0.8757     1.0000     0.1243     0.9784     0.9288     0.0496
 40   0     0.9036     1.0000     0.0964     0.9932     0.9428     0.0504
 41   0     0.9086     1.0000     0.0914     0.9822     0.9303     0.0519
 42   0     0.8767     1.0000     0.1233     0.9781     0.9292     0.0489
 43   0     0.8966     1.0000     0.1034     0.9793     0.9263     0.0530
 44   0     0.8951     1.0000     0.1049     0.9782     0.9261     0.0521
 45   0     6.2387     6.0000    -0.2387     3.9988     3.6843     0.3145
 46   0     6.2005     6.0000    -0.2005     3.9619     3.6464     0.3155
 47   0     6.2442     6.0000    -0.2442     3.9785     3.6540     0.3245
 48   0     6.2132     6.0000    -0.2132     4.0036     3.6969     0.3067
 49   0     6.1981     6.0000    -0.1981     3.9837     3.6755     0.3082
 50   0     0.8893     1.0000     0.1107     0.9776     0.9256     0.0520
 51   0     0.8894     1.0000     0.1106     0.9756     0.9261     0.0495
 52   0     0.8805     1.0000     0.1195     0.9771     0.9286     0.0485
 53   0     0.9035     1.0000     0.0965     0.9888     0.9367     0.0521
 54   0     0.8903     1.0000     0.1097     0.9719     0.9174     0.0545
 55   0     0.8935     1.0000     0.1065     0.9787     0.9266     0.0521
 56   0     0.8935     1.0000     0.1065     0.9734     0.9215     0.0519
 57   0     0.8859     1.0000     0.1141     0.9781     0.9283     0.0498
 58   0     0.8958     1.0000     0.1042     0.9739     0.9226     0.0513
 59   0     0.8852     1.0000     0.1148     0.9783     0.9288     0.0495
 60   0     6.2143     6.0000    -0.2143     3.9645     3.6505     0.3140
 61   0     6.1543     6.0000    -0.1543     3.9558     3.6478     0.3080
 62   0     6.2159     6.0000    -0.2159     4.0108     3.7047     0.3061
 63   0     6.2032     6.0000    -0.2032     3.9899     3.6788     0.3111
 64   0     6.2306     6.0000    -0.2306     3.9928     3.6811     0.3117
 65   0     0.9087     1.0000     0.0913     0.9865     0.9346     0.0519
 66   0     0.8930     1.0000     0.1070     0.9812     0.9305     0.0507
 67   0     0.8923     1.0000     0.1077     0.9828     0.9350     0.0478
 68   0     0.9598     1.0000     0.0402     1.0266     0.9701     0.0565
 69   0     0.8821     1.0000     0.1179     0.9777     0.9306     0.0471
 70   0     0.8947     1.0000     0.1053     0.9798     0.9299     0.0499
 71   0     0.8936     1.0000     0.1064     0.9845     0.9352     0.0493
 72   0     0.8909     1.0000     0.1091     0.9747     0.9221     0.0526
 73   0     0.8777     1.0000     0.1223     0.9756     0.9269     0.0487
 74   0     0.9009     1.0000     0.0991     0.9709     0.9158     0.0551
 75   0     6.2522     6.0000    -0.2522     3.9847     3.6596     0.3251
 76   0     6.2692     6.0000    -0.2692     3.9503     3.6226     0.3277
 77   0     6.1907     6.0000    -0.1907     3.9616     3.6401     0.3215
 78   0     6.2386     6.0000    -0.2386     3.9901     3.6731     0.3170
 79   0     6.1911     6.0000    -0.1911     3.9799     3.6545     0.3254
 80   0     0.8726     1.0000     0.1274     0.9717     0.9215     0.0502
 81   0     0.8947     1.0000     0.1053     0.9800     0.9268     0.0532
 82   0     0.8979     1.0000     0.1021     0.9768     0.9232     0.0536
 83   0     0.8830     1.0000     0.1170     0.9764     0.9265     0.0499
 84   0     0.8827     1.0000     0.1173     0.9724     0.9202     0.0522
 85   0     0.8791     1.0000     0.1209     0.9780     0.9297     0.0483
 86   0     0.8877     1.0000     0.1123     0.9802     0.9280     0.0522
 87   0     0.8844     1.0000     0.1156     0.9775     0.9292     0.0483
 88   0     0.8802     1.0000     0.1198     0.9792     0.9265     0.0527
 89   0     0.8881     1.0000     0.1119     0.9828     0.9333     0.0495
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.909545
                0             6               4            6                0.925876
                0             6               5            1                0.924596
                0             6               6            1                0.931754
                1             6               2            6                0.901765
                1             6               7            1                0.939156
                1             6               8            1                0.939781
                2             6               3            6                0.904298
                2             6               9            1                0.951473
                2             6              10            1                0.931904
                3             6               4            6                0.902126
                3             6              11            1                0.941038
                3             6              12            1                0.938103
                4             6              13            1                0.936914
                4             6              14            1                0.927279
               15             6              16            6                0.903721
               15             6              19            6                0.927277
               15             6              20            1                0.937887
               15             6              21            1                0.939080
               16             6              17            6                0.897592
               16             6              22            1                0.942363
               16             6              23            1                0.942205
               17             6              18            6                0.909866
               17             6              24            1                0.951361
               17             6              25            1                0.919229
               18             6              19            6                0.934571
               18             6              26            1                0.936779
               18             6              27            1                0.935272
               19             6              28            1                0.932571
               19             6              29            1                0.932062
               30             6              31            6                0.905659
               30             6              34            6                0.910454
               30             6              35            1                0.936207
               30             6              36            1                0.945242
               31             6              32            6                0.913421
               31             6              37            1                0.935755
               31             6              38            1                0.928451
               32             6              33            6                0.902986
               32             6              39            1                0.935322
               32             6              40            1                0.942796
               33             6              34            6                0.901347
               33             6              41            1                0.954028
               33             6              42            1                0.933958
               34             6              43            1                0.930345
               34             6              44            1                0.938010
               45             6              46            6                0.915952
               45             6              49            6                0.917979
               45             6              50            1                0.935362
               45             6              51            1                0.943162
               46             6              47            6                0.894534
               46             6              52            1                0.935926
               46             6              53            1                0.943917
               47             6              48            6                0.924659
               47             6              54            1                0.933137
               47             6              55            1                0.943062
               48             6              49            6                0.932809
               48             6              56            1                0.937478
               48             6              57            1                0.934013
               49             6              58            1                0.941205
               49             6              59            1                0.935847
               60             6              61            6                0.893734
               60             6              64            6                0.914165
               60             6              65            1                0.940547
               60             6              66            1                0.941104
               61             6              62            6                0.913459
               61             6              67            1                0.944765
               61             6              68            1                0.946053
               62             6              63            6                0.930756
               62             6              69            1                0.938361
               62             6              70            1                0.948319
               63             6              64            6                0.921570
               63             6              71            1                0.937940
               63             6              72            1                0.937624
               64             6              73            1                0.935999
               64             6              74            1                0.940776
               75             6              76            6                0.907970
               75             6              79            6                0.906735
               75             6              80            1                0.934805
               75             6              81            1                0.932415
               76             6              77            6                0.899663
               76             6              82            1                0.930709
               76             6              83            1                0.938964
               77             6              78            6                0.909913
               77             6              84            1                0.940422
               77             6              85            1                0.928684
               78             6              79            6                0.923362
               78             6              86            1                0.941600
               78             6              87            1                0.939137
               79             6              88            1                0.927401
               79             6              89            1                0.938369
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2005792566
        Correlation Energy:       -5.0725967556
        Total MP2 Energy:      -1176.2731760122
# -----------------------------------------------------------
$ 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) :        0.2541657418
        Electronic Contribution:
                  0    
      0       0.985582
      1      -0.453047
      2      -0.448372
        Nuclear Contribution:
                  0    
      0      -0.939907
      1       0.369536
      2       0.417736
        Total Dipole moment:
                  0    
      0       0.045675
      1      -0.083511
      2      -0.030636
# -----------------------------------------------------------
$ 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) :        0.2509622895
        Electronic Contribution:
                  0    
      0       0.983885
      1      -0.452165
      2      -0.449149
        Nuclear Contribution:
                  0    
      0      -0.939907
      1       0.369536
      2       0.417736
        Total Dipole moment:
                  0    
      0       0.043978
      1      -0.082629
      2      -0.031413
# -----------------------------------------------------------
$ 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) :        0.1648070587
        Electronic Contribution:
                  0    
      0       0.950513
      1      -0.426539
      2      -0.446758
        Nuclear Contribution:
                  0    
      0      -0.939907
      1       0.369536
      2       0.417736
        Total Dipole moment:
                  0    
      0       0.010606
      1      -0.057003
      2      -0.029022
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     17.220000000000   20.510000000000   20.740000000000
               1 C     17.750000000000   19.240000000000   21.440000000000
               2 C     17.370000000000   17.940000000000   20.620000000000
               3 C     16.580000000000   18.500000000000   19.360000000000
               4 C     16.360000000000   20.020000000000   19.580000000000
               5 H     18.160000000000   21.100000000000   20.410000000000
               6 H     16.650000000000   21.160000000000   21.430000000000
               7 H     17.130000000000   18.990000000000   22.320000000000
               8 H     18.760000000000   19.270000000000   21.760000000000
               9 H     16.710000000000   17.320000000000   21.140000000000
              10 H     18.200000000000   17.350000000000   20.200000000000
              11 H     15.540000000000   18.100000000000   19.350000000000
              12 H     16.990000000000   18.330000000000   18.400000000000
              13 H     15.270000000000   20.160000000000   19.830000000000
              14 H     16.520000000000   20.630000000000   18.650000000000
              15 C     18.860000000000   21.840000000000   14.580000000000
              16 C     19.420000000000   21.460000000000   15.970000000000
              17 C     18.860000000000   20.080000000000   16.310000000000
              18 C     18.220000000000   19.540000000000   15.090000000000
              19 C     18.380000000000   20.520000000000   13.950000000000
              20 H     19.690000000000   22.360000000000   14.120000000000
              21 H     18.020000000000   22.530000000000   14.690000000000
              22 H     19.060000000000   22.080000000000   16.750000000000
              23 H     20.510000000000   21.510000000000   15.970000000000
              24 H     18.050000000000   20.200000000000   16.980000000000
              25 H     19.640000000000   19.420000000000   16.830000000000
              26 H     17.100000000000   19.370000000000   15.280000000000
              27 H     18.680000000000   18.590000000000   14.830000000000
              28 H     17.370000000000   20.710000000000   13.430000000000
              29 H     19.130000000000   20.180000000000   13.210000000000
              30 C     21.470000000000   21.910000000000   19.250000000000
              31 C     21.210000000000   20.570000000000   20.030000000000
              32 C     21.250000000000   20.940000000000   21.570000000000
              33 C     21.190000000000   22.490000000000   21.660000000000
              34 C     21.300000000000   23.060000000000   20.280000000000
              35 H     20.720000000000   22.110000000000   18.450000000000
              36 H     22.420000000000   22.010000000000   18.790000000000
              37 H     22.100000000000   19.970000000000   19.890000000000
              38 H     20.360000000000   20.020000000000   19.690000000000
              39 H     22.150000000000   20.570000000000   22.060000000000
              40 H     20.380000000000   20.560000000000   22.060000000000
              41 H     22.110000000000   22.730000000000   22.120000000000
              42 H     20.420000000000   22.950000000000   22.260000000000
              43 H     22.160000000000   23.780000000000   20.250000000000
              44 H     20.340000000000   23.580000000000   20.230000000000
              45 C     21.930000000000   27.150000000000   19.760000000000
              46 C     21.910000000000   26.820000000000   21.250000000000
              47 C     20.360000000000   26.790000000000   21.610000000000
              48 C     19.530000000000   26.980000000000   20.380000000000
              49 C     20.480000000000   27.080000000000   19.250000000000
              50 H     22.560000000000   26.490000000000   19.130000000000
              51 H     22.310000000000   28.130000000000   19.580000000000
              52 H     22.430000000000   27.460000000000   21.940000000000
              53 H     22.250000000000   25.820000000000   21.380000000000
              54 H     20.100000000000   27.550000000000   22.430000000000
              55 H     20.210000000000   25.850000000000   22.140000000000
              56 H     18.980000000000   27.930000000000   20.540000000000
              57 H     18.760000000000   26.230000000000   20.250000000000
              58 H     20.290000000000   28.030000000000   18.750000000000
              59 H     20.360000000000   26.310000000000   18.510000000000
              60 C     25.110000000000   24.700000000000   21.990000000000
              61 C     26.300000000000   24.330000000000   21.080000000000
              62 C     27.550000000000   24.780000000000   21.770000000000
              63 C     27.130000000000   25.130000000000   23.190000000000
              64 C     25.630000000000   25.080000000000   23.320000000000
              65 H     24.300000000000   24.000000000000   22.080000000000
              66 H     24.610000000000   25.540000000000   21.520000000000
              67 H     26.210000000000   24.820000000000   20.170000000000
              68 H     26.320000000000   23.280000000000   20.790000000000
              69 H     28.060000000000   25.550000000000   21.270000000000
              70 H     28.190000000000   23.930000000000   21.810000000000
              71 H     27.450000000000   26.120000000000   23.440000000000
              72 H     27.490000000000   24.310000000000   23.870000000000
              73 H     25.160000000000   25.920000000000   23.790000000000
              74 H     25.390000000000   24.230000000000   24.040000000000
              75 C     24.960000000000   20.570000000000   21.660000000000
              76 C     24.990000000000   20.590000000000   20.130000000000
              77 C     26.470000000000   20.770000000000   19.600000000000
              78 C     27.350000000000   20.510000000000   20.830000000000
              79 C     26.470000000000   20.750000000000   22.100000000000
              80 H     24.470000000000   19.620000000000   21.940000000000
              81 H     24.410000000000   21.450000000000   22.040000000000
              82 H     24.390000000000   21.420000000000   19.710000000000
              83 H     24.550000000000   19.720000000000   19.680000000000
              84 H     26.640000000000   21.850000000000   19.370000000000
              85 H     26.620000000000   20.120000000000   18.750000000000
              86 H     28.210000000000   21.210000000000   20.750000000000
              87 H     27.740000000000   19.530000000000   20.850000000000
              88 H     26.710000000000   21.770000000000   22.540000000000
              89 H     26.540000000000   19.930000000000   22.780000000000
