-------------------------------------------------------------
----------------------- !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:    -1171.1957415521
# -----------------------------------------------------------
$ 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     6.1431     6.0000    -0.1431     3.9338     3.9338    -0.0000
  1   0     6.0635     6.0000    -0.0635     3.8840     3.8840    -0.0000
  2   0     6.2501     6.0000    -0.2501     3.9417     3.9417     0.0000
  3   0     6.0887     6.0000    -0.0887     3.8573     3.8573    -0.0000
  4   0     6.2041     6.0000    -0.2041     3.9355     3.9355    -0.0000
  5   0     0.9020     1.0000     0.0980     0.9787     0.9787    -0.0000
  6   0     0.9538     1.0000     0.0462     0.9820     0.9820    -0.0000
  7   0     0.9693     1.0000     0.0307     1.0005     1.0005     0.0000
  8   0     0.9152     1.0000     0.0848     0.9873     0.9873    -0.0000
  9   0     0.8965     1.0000     0.1035     0.9761     0.9761     0.0000
 10   0     0.9117     1.0000     0.0883     0.9721     0.9721     0.0000
 11   0     0.9311     1.0000     0.0689     0.9727     0.9727     0.0000
 12   0     0.9529     1.0000     0.0471     0.9892     0.9892    -0.0000
 13   0     0.9183     1.0000     0.0817     0.9821     0.9821     0.0000
 14   0     0.9171     1.0000     0.0829     0.9727     0.9727     0.0000
 15   0     6.1816     6.0000    -0.1816     3.8685     3.8685    -0.0000
 16   0     6.1857     6.0000    -0.1857     3.8748     3.8748    -0.0000
 17   0     6.1247     6.0000    -0.1247     3.9017     3.9017    -0.0000
 18   0     6.1848     6.0000    -0.1848     3.9204     3.9204    -0.0000
 19   0     6.1328     6.0000    -0.1328     3.8905     3.8905    -0.0000
 20   0     0.9201     1.0000     0.0799     0.9729     0.9729    -0.0000
 21   0     0.9251     1.0000     0.0749     0.9766     0.9766    -0.0000
 22   0     0.9229     1.0000     0.0771     0.9739     0.9739    -0.0000
 23   0     0.9175     1.0000     0.0825     0.9756     0.9756    -0.0000
 24   0     0.9183     1.0000     0.0817     0.9743     0.9743    -0.0000
 25   0     0.9146     1.0000     0.0854     0.9758     0.9758     0.0000
 26   0     0.9101     1.0000     0.0899     0.9725     0.9725    -0.0000
 27   0     0.9177     1.0000     0.0823     0.9711     0.9711    -0.0000
 28   0     0.9213     1.0000     0.0787     0.9738     0.9738     0.0000
 29   0     0.9193     1.0000     0.0807     0.9758     0.9758    -0.0000
 30   0     6.1890     6.0000    -0.1890     3.8812     3.8812    -0.0000
 31   0     6.1331     6.0000    -0.1331     3.8583     3.8583    -0.0000
 32   0     6.1629     6.0000    -0.1629     3.9136     3.9136    -0.0000
 33   0     6.1821     6.0000    -0.1821     3.8969     3.8969    -0.0000
 34   0     6.1779     6.0000    -0.1779     3.8654     3.8654    -0.0000
 35   0     0.9156     1.0000     0.0844     0.9738     0.9738     0.0000
 36   0     0.9107     1.0000     0.0893     0.9712     0.9712     0.0000
 37   0     0.9153     1.0000     0.0847     0.9712     0.9712    -0.0000
 38   0     0.9288     1.0000     0.0712     0.9768     0.9768    -0.0000
 39   0     0.9068     1.0000     0.0932     0.9751     0.9751    -0.0000
 40   0     0.9231     1.0000     0.0769     0.9790     0.9790     0.0000
 41   0     0.9060     1.0000     0.0940     0.9735     0.9735    -0.0000
 42   0     0.9175     1.0000     0.0825     0.9704     0.9704     0.0000
 43   0     0.9076     1.0000     0.0924     0.9690     0.9690    -0.0000
 44   0     0.9137     1.0000     0.0863     0.9760     0.9760    -0.0000
 45   0     6.1577     6.0000    -0.1577     3.9141     3.9141    -0.0000
 46   0     6.1288     6.0000    -0.1288     3.8640     3.8640     0.0000
 47   0     6.1562     6.0000    -0.1562     3.8690     3.8690    -0.0000
 48   0     6.1833     6.0000    -0.1833     3.8647     3.8647     0.0000
 49   0     6.1478     6.0000    -0.1478     3.9063     3.9063     0.0000
 50   0     0.9293     1.0000     0.0707     0.9837     0.9837    -0.0000
 51   0     0.9089     1.0000     0.0911     0.9704     0.9704     0.0000
 52   0     0.9195     1.0000     0.0805     0.9741     0.9741     0.0000
 53   0     0.9448     1.0000     0.0552     0.9927     0.9927     0.0000
 54   0     0.9184     1.0000     0.0816     0.9779     0.9779    -0.0000
 55   0     0.9253     1.0000     0.0747     0.9795     0.9795    -0.0000
 56   0     0.9138     1.0000     0.0862     0.9732     0.9732     0.0000
 57   0     0.9250     1.0000     0.0750     0.9719     0.9719    -0.0000
 58   0     0.9165     1.0000     0.0835     0.9892     0.9892     0.0000
 59   0     0.9248     1.0000     0.0752     0.9806     0.9806     0.0000
 60   0     6.1774     6.0000    -0.1774     3.9171     3.9171     0.0000
 61   0     6.0735     6.0000    -0.0735     3.8556     3.8556     0.0000
 62   0     6.2024     6.0000    -0.2024     3.9104     3.9104    -0.0000
 63   0     6.1508     6.0000    -0.1508     3.8877     3.8877     0.0000
 64   0     6.1722     6.0000    -0.1722     3.9056     3.9056     0.0000
 65   0     0.9160     1.0000     0.0840     0.9713     0.9713    -0.0000
 66   0     0.9305     1.0000     0.0695     0.9809     0.9809     0.0000
 67   0     0.9616     1.0000     0.0384     0.9992     0.9992     0.0000
 68   0     0.9221     1.0000     0.0779     0.9809     0.9809     0.0000
 69   0     0.9160     1.0000     0.0840     0.9728     0.9728     0.0000
 70   0     0.9221     1.0000     0.0779     0.9754     0.9754    -0.0000
 71   0     0.9207     1.0000     0.0793     0.9794     0.9794     0.0000
 72   0     0.9114     1.0000     0.0886     0.9739     0.9739     0.0000
 73   0     0.9085     1.0000     0.0915     0.9737     0.9737     0.0000
 74   0     0.9176     1.0000     0.0824     0.9791     0.9791    -0.0000
 75   0     6.1518     6.0000    -0.1518     3.8396     3.8396    -0.0000
 76   0     6.1793     6.0000    -0.1793     3.8817     3.8817    -0.0000
 77   0     6.1123     6.0000    -0.1123     3.9021     3.9021    -0.0000
 78   0     6.1676     6.0000    -0.1676     3.8900     3.8900    -0.0000
 79   0     6.2150     6.0000    -0.2150     3.8965     3.8965    -0.0000
 80   0     0.9402     1.0000     0.0598     0.9816     0.9816     0.0000
 81   0     0.9010     1.0000     0.0990     0.9723     0.9723    -0.0000
 82   0     0.9232     1.0000     0.0768     0.9733     0.9733     0.0000
 83   0     0.9220     1.0000     0.0780     0.9721     0.9721    -0.0000
 84   0     0.9107     1.0000     0.0893     0.9701     0.9701    -0.0000
 85   0     0.9192     1.0000     0.0808     0.9823     0.9823    -0.0000
 86   0     0.9146     1.0000     0.0854     0.9734     0.9734     0.0000
 87   0     0.9035     1.0000     0.0965     0.9720     0.9720    -0.0000
 88   0     0.9115     1.0000     0.0885     0.9728     0.9728    -0.0000
 89   0     0.9213     1.0000     0.0787     0.9736     0.9736    -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                0.979387
                0             6               4            6                0.989293
                0             6               5            1                0.987771
                0             6               6            1                1.002795
                1             6               2            6                0.972083
                1             6               7            1                0.999189
                1             6               8            1                0.991598
                2             6               3            6                0.974108
                2             6               9            1                0.995580
                2             6              10            1                0.989402
                3             6               4            6                0.968645
                3             6              11            1                0.983257
                3             6              12            1                0.992311
                4             6              13            1                0.994184
                4             6              14            1                0.996191
               15             6              16            6                0.962218
               15             6              19            6                0.962363
               15             6              20            1                0.990634
               15             6              21            1                0.998282
               16             6              17            6                0.963178
               16             6              22            1                0.993768
               16             6              23            1                0.993081
               17             6              18            6                0.985404
               17             6              24            1                0.990125
               17             6              25            1                0.993976
               18             6              19            6                0.977501
               18             6              26            1                0.989920
               18             6              27            1                0.996015
               19             6              28            1                0.991646
               19             6              29            1                0.997609
               30             6              31            6                0.949371
               30             6              34            6                0.958050
               30             6              35            1                0.997508
               30             6              36            1                0.987129
               31             6              32            6                0.972232
               31             6              37            1                0.991421
               31             6              38            1                0.994368
               32             6              33            6                0.981238
               32             6              39            1                0.985894
               32             6              40            1                0.991893
               33             6              34            6                0.964236
               33             6              41            1                0.984719
               33             6              42            1                0.994091
               34             6              43            1                0.982843
               34             6              44            1                1.000288
               45             6              46            6                0.959176
               45             6              49            6                0.991120
               45             6              50            1                0.995796
               45             6              51            1                0.982870
               46             6              47            6                0.960575
               46             6              52            1                0.986967
               46             6              53            1                0.994713
               47             6              48            6                0.952812
               47             6              54            1                0.993133
               47             6              55            1                0.984103
               48             6              49            6                0.959254
               48             6              56            1                0.992956
               48             6              57            1                0.998060
               49             6              58            1                0.992310
               49             6              59            1                0.990467
               60             6              61            6                0.965727
               60             6              64            6                0.976785
               60             6              65            1                0.989007
               60             6              66            1                0.994102
               61             6              62            6                0.962503
               61             6              67            1                0.990958
               61             6              68            1                0.995681
               62             6              63            6                0.967801
               62             6              69            1                0.992580
               62             6              70            1                0.996972
               63             6              64            6                0.975384
               63             6              71            1                0.992992
               63             6              72            1                0.989441
               64             6              73            1                0.988038
               64             6              74            1                0.986756
               75             6              76            6                0.949984
               75             6              79            6                0.956694
               75             6              80            1                0.996601
               75             6              81            1                0.988569
               76             6              77            6                0.962348
               76             6              82            1                0.995768
               76             6              83            1                0.996973
               77             6              78            6                0.984910
               77             6              84            1                0.985476
               77             6              85            1                0.998012
               78             6              79            6                0.971630
               78             6              86            1                0.989787
               78             6              87            1                0.988081
               79             6              88            1                0.992627
               79             6              89            1                0.998697
# -----------------------------------------------------------
$ 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     6.1508     6.0000    -0.1508     4.0408     3.7168     0.3240
  1   0     6.0712     6.0000    -0.0712     3.9886     3.6657     0.3229
  2   0     6.2579     6.0000    -0.2579     4.0570     3.7220     0.3350
  3   0     6.0975     6.0000    -0.0975     3.9696     3.6408     0.3288
  4   0     6.2116     6.0000    -0.2116     4.0472     3.7219     0.3253
  5   0     0.8977     1.0000     0.1023     0.9870     0.9386     0.0484
  6   0     0.9506     1.0000     0.0494     0.9943     0.9365     0.0578
  7   0     0.9655     1.0000     0.0345     1.0122     0.9550     0.0572
  8   0     0.9110     1.0000     0.0890     0.9966     0.9454     0.0512
  9   0     0.8927     1.0000     0.1073     0.9846     0.9335     0.0511
 10   0     0.9076     1.0000     0.0924     0.9812     0.9289     0.0523
 11   0     0.9269     1.0000     0.0731     0.9831     0.9264     0.0567
 12   0     0.9480     1.0000     0.0520     0.9993     0.9468     0.0525
 13   0     0.9144     1.0000     0.0856     0.9914     0.9405     0.0509
 14   0     0.9132     1.0000     0.0868     0.9822     0.9298     0.0524
 15   0     6.1886     6.0000    -0.1886     3.9769     3.6598     0.3171
 16   0     6.1933     6.0000    -0.1933     3.9856     3.6672     0.3184
 17   0     6.1331     6.0000    -0.1331     4.0081     3.6921     0.3160
 18   0     6.1922     6.0000    -0.1922     4.0286     3.7110     0.3176
 19   0     6.1407     6.0000    -0.1407     3.9963     3.6850     0.3113
 20   0     0.9164     1.0000     0.0836     0.9828     0.9287     0.0541
 21   0     0.9211     1.0000     0.0789     0.9860     0.9340     0.0520
 22   0     0.9190     1.0000     0.0810     0.9836     0.9323     0.0513
 23   0     0.9135     1.0000     0.0865     0.9847     0.9327     0.0520
 24   0     0.9145     1.0000     0.0855     0.9836     0.9292     0.0544
 25   0     0.9108     1.0000     0.0892     0.9849     0.9338     0.0511
 26   0     0.9065     1.0000     0.0935     0.9817     0.9272     0.0545
 27   0     0.9140     1.0000     0.0860     0.9805     0.9265     0.0540
 28   0     0.9176     1.0000     0.0824     0.9834     0.9301     0.0533
 29   0     0.9154     1.0000     0.0846     0.9850     0.9338     0.0512
 30   0     6.1973     6.0000    -0.1973     3.9952     3.6671     0.3281
 31   0     6.1410     6.0000    -0.1410     3.9685     3.6429     0.3256
 32   0     6.1702     6.0000    -0.1702     4.0212     3.7015     0.3197
 33   0     6.1902     6.0000    -0.1902     4.0083     3.6828     0.3255
 34   0     6.1862     6.0000    -0.1862     3.9797     3.6493     0.3304
 35   0     0.9117     1.0000     0.0883     0.9831     0.9319     0.0512
 36   0     0.9067     1.0000     0.0933     0.9804     0.9292     0.0512
 37   0     0.9111     1.0000     0.0889     0.9805     0.9276     0.0529
 38   0     0.9252     1.0000     0.0748     0.9874     0.9346     0.0528
 39   0     0.9030     1.0000     0.0970     0.9842     0.9330     0.0512
 40   0     0.9192     1.0000     0.0808     0.9885     0.9359     0.0526
 41   0     0.9020     1.0000     0.0980     0.9825     0.9315     0.0510
 42   0     0.9136     1.0000     0.0864     0.9798     0.9274     0.0524
 43   0     0.9037     1.0000     0.0963     0.9783     0.9237     0.0546
 44   0     0.9097     1.0000     0.0903     0.9850     0.9353     0.0497
 45   0     6.1652     6.0000    -0.1652     4.0215     3.6999     0.3216
 46   0     6.1364     6.0000    -0.1364     3.9716     3.6491     0.3225
 47   0     6.1633     6.0000    -0.1633     3.9789     3.6520     0.3269
 48   0     6.1923     6.0000    -0.1923     3.9773     3.6510     0.3263
 49   0     6.1561     6.0000    -0.1561     4.0152     3.6948     0.3204
 50   0     0.9251     1.0000     0.0749     0.9931     0.9413     0.0518
 51   0     0.9049     1.0000     0.0951     0.9797     0.9247     0.0550
 52   0     0.9153     1.0000     0.0847     0.9833     0.9290     0.0543
 53   0     0.9418     1.0000     0.0582     1.0045     0.9492     0.0553
 54   0     0.9144     1.0000     0.0856     0.9876     0.9336     0.0540
 55   0     0.9216     1.0000     0.0784     0.9901     0.9345     0.0556
 56   0     0.9097     1.0000     0.0903     0.9824     0.9319     0.0505
 57   0     0.9210     1.0000     0.0790     0.9816     0.9288     0.0528
 58   0     0.9122     1.0000     0.0878     0.9980     0.9523     0.0457
 59   0     0.9208     1.0000     0.0792     0.9903     0.9355     0.0548
 60   0     6.1853     6.0000    -0.1853     4.0268     3.7017     0.3251
 61   0     6.0806     6.0000    -0.0806     3.9583     3.6471     0.3112
 62   0     6.2107     6.0000    -0.2107     4.0211     3.6971     0.3240
 63   0     6.1583     6.0000    -0.1583     3.9951     3.6761     0.3190
 64   0     6.1798     6.0000    -0.1798     4.0149     3.6944     0.3205
 65   0     0.9119     1.0000     0.0881     0.9807     0.9271     0.0536
 66   0     0.9270     1.0000     0.0730     0.9915     0.9370     0.0545
 67   0     0.9581     1.0000     0.0419     1.0107     0.9564     0.0543
 68   0     0.9179     1.0000     0.0821     0.9901     0.9390     0.0511
 69   0     0.9122     1.0000     0.0878     0.9822     0.9304     0.0518
 70   0     0.9183     1.0000     0.0817     0.9850     0.9321     0.0529
 71   0     0.9169     1.0000     0.0831     0.9888     0.9360     0.0528
 72   0     0.9076     1.0000     0.0924     0.9831     0.9302     0.0529
 73   0     0.9047     1.0000     0.0953     0.9829     0.9309     0.0520
 74   0     0.9136     1.0000     0.0864     0.9883     0.9358     0.0525
 75   0     6.1583     6.0000    -0.1583     3.9479     3.6283     0.3196
 76   0     6.1879     6.0000    -0.1879     3.9930     3.6779     0.3151
 77   0     6.1211     6.0000    -0.1211     4.0089     3.6963     0.3126
 78   0     6.1754     6.0000    -0.1754     4.0001     3.6740     0.3261
 79   0     6.2230     6.0000    -0.2230     4.0102     3.6824     0.3278
 80   0     0.9365     1.0000     0.0635     0.9924     0.9343     0.0581
 81   0     0.8970     1.0000     0.1030     0.9809     0.9296     0.0513
 82   0     0.9190     1.0000     0.0810     0.9827     0.9306     0.0521
 83   0     0.9179     1.0000     0.0821     0.9815     0.9300     0.0515
 84   0     0.9067     1.0000     0.0933     0.9790     0.9269     0.0521
 85   0     0.9152     1.0000     0.0848     0.9912     0.9418     0.0494
 86   0     0.9106     1.0000     0.0894     0.9828     0.9285     0.0543
 87   0     0.8996     1.0000     0.1004     0.9809     0.9308     0.0501
 88   0     0.9078     1.0000     0.0922     0.9821     0.9288     0.0533
 89   0     0.9175     1.0000     0.0825     0.9831     0.9304     0.0527
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.916156
                0             6               4            6                0.922596
                0             6               5            1                0.948828
                0             6               6            1                0.958080
                1             6               2            6                0.905151
                1             6               7            1                0.954409
                1             6               8            1                0.950726
                2             6               3            6                0.908517
                2             6               9            1                0.954424
                2             6              10            1                0.947400
                3             6               4            6                0.907145
                3             6              11            1                0.937744
                3             6              12            1                0.950949
                4             6              13            1                0.953775
                4             6              14            1                0.954490
               15             6              16            6                0.901405
               15             6              19            6                0.901517
               15             6              20            1                0.947622
               15             6              21            1                0.956796
               16             6              17            6                0.901625
               16             6              22            1                0.953178
               16             6              23            1                0.951279
               17             6              18            6                0.925086
               17             6              24            1                0.946438
               17             6              25            1                0.953329
               18             6              19            6                0.919204
               18             6              26            1                0.946111
               18             6              27            1                0.952626
               19             6              28            1                0.949366
               19             6              29            1                0.956745
               30             6              31            6                0.884778
               30             6              34            6                0.894079
               30             6              35            1                0.956672
               30             6              36            1                0.946434
               31             6              32            6                0.908426
               31             6              37            1                0.948941
               31             6              38            1                0.953046
               32             6              33            6                0.918921
               32             6              39            1                0.945358
               32             6              40            1                0.950071
               33             6              34            6                0.898649
               33             6              41            1                0.944175
               33             6              42            1                0.952184
               34             6              43            1                0.939026
               34             6              44            1                0.960466
               45             6              46            6                0.897459
               45             6              49            6                0.927690
               45             6              50            1                0.954651
               45             6              51            1                0.938893
               46             6              47            6                0.897713
               46             6              52            1                0.943133
               46             6              53            1                0.952503
               47             6              48            6                0.889013
               47             6              54            1                0.949965
               47             6              55            1                0.940487
               48             6              49            6                0.894441
               48             6              56            1                0.953006
               48             6              57            1                0.955849
               49             6              58            1                0.956800
               49             6              59            1                0.946591
               60             6              61            6                0.904305
               60             6              64            6                0.912455
               60             6              65            1                0.946003
               60             6              66            1                0.951514
               61             6              62            6                0.900389
               61             6              67            1                0.949697
               61             6              68            1                0.954925
               62             6              63            6                0.903452
               62             6              69            1                0.951356
               62             6              70            1                0.954883
               63             6              64            6                0.915657
               63             6              71            1                0.950976
               63             6              72            1                0.947242
               64             6              73            1                0.946638
               64             6              74            1                0.945088
               75             6              76            6                0.890189
               75             6              79            6                0.895650
               75             6              80            1                0.950506
               75             6              81            1                0.947164
               76             6              77            6                0.904924
               76             6              82            1                0.954171
               76             6              83            1                0.955858
               77             6              78            6                0.920929
               77             6              84            1                0.943701
               77             6              85            1                0.958862
               78             6              79            6                0.906197
               78             6              86            1                0.946042
               78             6              87            1                0.948177
               79             6              88            1                0.950007
               79             6              89            1                0.956680
# -----------------------------------------------------------
$ 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     6.2005     6.0000    -0.2005     4.0218     3.7023     0.3195
  1   0     6.1345     6.0000    -0.1345     3.9819     3.6633     0.3186
  2   0     6.2900     6.0000    -0.2900     4.0364     3.7063     0.3301
  3   0     6.1652     6.0000    -0.1652     3.9759     3.6517     0.3242
  4   0     6.2478     6.0000    -0.2478     4.0080     3.6873     0.3207
  5   0     0.8757     1.0000     0.1243     0.9794     0.9321     0.0473
  6   0     0.9281     1.0000     0.0719     0.9971     0.9408     0.0563
  7   0     0.9349     1.0000     0.0651     1.0071     0.9514     0.0557
  8   0     0.8873     1.0000     0.1127     0.9889     0.9389     0.0500
  9   0     0.8709     1.0000     0.1291     0.9771     0.9271     0.0500
 10   0     0.8845     1.0000     0.1155     0.9723     0.9210     0.0513
 11   0     0.9059     1.0000     0.0941     0.9822     0.9268     0.0554
 12   0     0.9187     1.0000     0.0813     0.9915     0.9405     0.0510
 13   0     0.8873     1.0000     0.1127     0.9845     0.9349     0.0496
 14   0     0.8876     1.0000     0.1124     0.9733     0.9220     0.0513
 15   0     6.2332     6.0000    -0.2332     3.9566     3.6437     0.3129
 16   0     6.2486     6.0000    -0.2486     3.9768     3.6625     0.3143
 17   0     6.1864     6.0000    -0.1864     3.9998     3.6877     0.3121
 18   0     6.2412     6.0000    -0.2412     4.0197     3.7065     0.3132
 19   0     6.1969     6.0000    -0.1969     3.9853     3.6780     0.3073
 20   0     0.8911     1.0000     0.1089     0.9757     0.9227     0.0530
 21   0     0.8936     1.0000     0.1064     0.9775     0.9267     0.0508
 22   0     0.8920     1.0000     0.1080     0.9754     0.9252     0.0502
 23   0     0.8852     1.0000     0.1148     0.9753     0.9245     0.0508
 24   0     0.8904     1.0000     0.1096     0.9755     0.9221     0.0534
 25   0     0.8876     1.0000     0.1124     0.9776     0.9275     0.0501
 26   0     0.8825     1.0000     0.1175     0.9728     0.9193     0.0535
 27   0     0.8879     1.0000     0.1121     0.9714     0.9184     0.0530
 28   0     0.8922     1.0000     0.1078     0.9754     0.9231     0.0523
 29   0     0.8884     1.0000     0.1116     0.9758     0.9257     0.0501
 30   0     6.2441     6.0000    -0.2441     3.9750     3.6511     0.3239
 31   0     6.1991     6.0000    -0.1991     3.9583     3.6369     0.3214
 32   0     6.2084     6.0000    -0.2084     3.9923     3.6769     0.3154
 33   0     6.2418     6.0000    -0.2418     3.9988     3.6775     0.3213
 34   0     6.2313     6.0000    -0.2313     3.9569     3.6307     0.3262
 35   0     0.8849     1.0000     0.1151     0.9763     0.9264     0.0499
 36   0     0.8844     1.0000     0.1156     0.9728     0.9225     0.0503
 37   0     0.8898     1.0000     0.1102     0.9741     0.9222     0.0519
 38   0     0.8952     1.0000     0.1048     0.9825     0.9311     0.0514
 39   0     0.8820     1.0000     0.1180     0.9781     0.9278     0.0503
 40   0     0.8942     1.0000     0.1058     0.9813     0.9298     0.0515
 41   0     0.8812     1.0000     0.1188     0.9750     0.9250     0.0500
 42   0     0.8875     1.0000     0.1125     0.9733     0.9220     0.0513
 43   0     0.8832     1.0000     0.1168     0.9717     0.9181     0.0536
 44   0     0.8816     1.0000     0.1184     0.9778     0.9294     0.0484
 45   0     6.2019     6.0000    -0.2019     3.9893     3.6725     0.3168
 46   0     6.2000     6.0000    -0.2000     3.9620     3.6440     0.3180
 47   0     6.2018     6.0000    -0.2018     3.9459     3.6239     0.3220
 48   0     6.2459     6.0000    -0.2459     3.9470     3.6248     0.3222
 49   0     6.2178     6.0000    -0.2178     3.9854     3.6690     0.3164
 50   0     0.9003     1.0000     0.0997     0.9886     0.9379     0.0507
 51   0     0.8852     1.0000     0.1148     0.9749     0.9208     0.0541
 52   0     0.8905     1.0000     0.1095     0.9740     0.9208     0.0532
 53   0     0.9125     1.0000     0.0875     1.0045     0.9506     0.0539
 54   0     0.8946     1.0000     0.1054     0.9807     0.9277     0.0530
 55   0     0.8947     1.0000     0.1053     0.9918     0.9376     0.0542
 56   0     0.8859     1.0000     0.1141     0.9777     0.9282     0.0495
 57   0     0.8905     1.0000     0.1095     0.9743     0.9229     0.0514
 58   0     0.8896     1.0000     0.1104     0.9915     0.9468     0.0447
 59   0     0.8877     1.0000     0.1123     0.9832     0.9298     0.0534
 60   0     6.2289     6.0000    -0.2289     3.9980     3.6773     0.3207
 61   0     6.1482     6.0000    -0.1482     3.9485     3.6414     0.3071
 62   0     6.2538     6.0000    -0.2538     3.9905     3.6707     0.3198
 63   0     6.2056     6.0000    -0.2056     3.9825     3.6679     0.3146
 64   0     6.2284     6.0000    -0.2284     4.0027     3.6865     0.3162
 65   0     0.8895     1.0000     0.1105     0.9736     0.9209     0.0527
 66   0     0.9003     1.0000     0.0997     0.9896     0.9365     0.0531
 67   0     0.9256     1.0000     0.0744     1.0072     0.9543     0.0529
 68   0     0.8926     1.0000     0.1074     0.9815     0.9315     0.0500
 69   0     0.8872     1.0000     0.1128     0.9756     0.9249     0.0507
 70   0     0.8932     1.0000     0.1068     0.9766     0.9247     0.0519
 71   0     0.8921     1.0000     0.1079     0.9807     0.9290     0.0517
 72   0     0.8859     1.0000     0.1141     0.9758     0.9238     0.0520
 73   0     0.8810     1.0000     0.1190     0.9792     0.9283     0.0509
 74   0     0.8894     1.0000     0.1106     0.9787     0.9273     0.0514
 75   0     6.2105     6.0000    -0.2105     3.9392     3.6240     0.3152
 76   0     6.2480     6.0000    -0.2480     3.9728     3.6619     0.3109
 77   0     6.1777     6.0000    -0.1777     3.9942     3.6857     0.3085
 78   0     6.2227     6.0000    -0.2227     3.9839     3.6620     0.3219
 79   0     6.2638     6.0000    -0.2638     3.9915     3.6681     0.3234
 80   0     0.9075     1.0000     0.0925     0.9857     0.9291     0.0566
 81   0     0.8730     1.0000     0.1270     0.9734     0.9233     0.0501
 82   0     0.8913     1.0000     0.1087     0.9755     0.9247     0.0508
 83   0     0.8877     1.0000     0.1123     0.9768     0.9267     0.0501
 84   0     0.8850     1.0000     0.1150     0.9742     0.9231     0.0511
 85   0     0.8883     1.0000     0.1117     0.9846     0.9363     0.0483
 86   0     0.8891     1.0000     0.1109     0.9756     0.9223     0.0533
 87   0     0.8774     1.0000     0.1226     0.9772     0.9281     0.0491
 88   0     0.8825     1.0000     0.1175     0.9730     0.9207     0.0523
 89   0     0.8900     1.0000     0.1100     0.9743     0.9227     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                0.930444
                0             6               4            6                0.922013
                0             6               5            1                0.936379
                0             6               6            1                0.939693
                1             6               2            6                0.913778
                1             6               7            1                0.939958
                1             6               8            1                0.934567
                2             6               3            6                0.920848
                2             6               9            1                0.937847
                2             6              10            1                0.931484
                3             6               4            6                0.917900
                3             6              11            1                0.925311
                3             6              12            1                0.936172
                4             6              13            1                0.938504
                4             6              14            1                0.937314
               15             6              16            6                0.906396
               15             6              19            6                0.909957
               15             6              20            1                0.933526
               15             6              21            1                0.945742
               16             6              17            6                0.912325
               16             6              22            1                0.941646
               16             6              23            1                0.939223
               17             6              18            6                0.938597
               17             6              24            1                0.931000
               17             6              25            1                0.940157
               18             6              19            6                0.933875
               18             6              26            1                0.928737
               18             6              27            1                0.937390
               19             6              28            1                0.934059
               19             6              29            1                0.943054
               30             6              31            6                0.893321
               30             6              34            6                0.900456
               30             6              35            1                0.944657
               30             6              36            1                0.933180
               31             6              32            6                0.915119
               31             6              37            1                0.934758
               31             6              38            1                0.943229
               32             6              33            6                0.926642
               32             6              39            1                0.933706
               32             6              40            1                0.937187
               33             6              34            6                0.904639
               33             6              41            1                0.931143
               33             6              42            1                0.941028
               34             6              43            1                0.924025
               34             6              44            1                0.951106
               45             6              46            6                0.910180
               45             6              49            6                0.930553
               45             6              50            1                0.943393
               45             6              51            1                0.922153
               46             6              47            6                0.903009
               46             6              52            1                0.926381
               46             6              53            1                0.941914
               47             6              48            6                0.894191
               47             6              54            1                0.932752
               47             6              55            1                0.927168
               48             6              49            6                0.888289
               48             6              56            1                0.942577
               48             6              57            1                0.943797
               49             6              58            1                0.948052
               49             6              59            1                0.933707
               60             6              61            6                0.914071
               60             6              64            6                0.915876
               60             6              65            1                0.931895
               60             6              66            1                0.938818
               61             6              62            6                0.906900
               61             6              67            1                0.939076
               61             6              68            1                0.941780
               62             6              63            6                0.909941
               62             6              69            1                0.939036
               62             6              70            1                0.940734
               63             6              64            6                0.931381
               63             6              71            1                0.937842
               63             6              72            1                0.932411
               64             6              73            1                0.934930
               64             6              74            1                0.929938
               75             6              76            6                0.898983
               75             6              79            6                0.909806
               75             6              80            1                0.934955
               75             6              81            1                0.933571
               76             6              77            6                0.912578
               76             6              82            1                0.938653
               76             6              83            1                0.943146
               77             6              78            6                0.927613
               77             6              84            1                0.930761
               77             6              85            1                0.947927
               78             6              79            6                0.912748
               78             6              86            1                0.930209
               78             6              87            1                0.939246
               79             6              88            1                0.933007
               79             6              89            1                0.942693
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1957415521
        Correlation Energy:       -5.0772470913
        Total MP2 Energy:      -1176.2729886433
# -----------------------------------------------------------
$ 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) :        0.2906155936
        Electronic Contribution:
                  0    
      0      -0.341112
      1      -0.361010
      2       0.405430
        Nuclear Contribution:
                  0    
      0       0.289202
      1       0.345436
      2      -0.506104
        Total Dipole moment:
                  0    
      0      -0.051910
      1      -0.015575
      2      -0.100674
# -----------------------------------------------------------
$ 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) :        0.2925986082
        Electronic Contribution:
                  0    
      0      -0.340869
      1      -0.360336
      2       0.404320
        Nuclear Contribution:
                  0    
      0       0.289202
      1       0.345436
      2      -0.506104
        Total Dipole moment:
                  0    
      0      -0.051667
      1      -0.014901
      2      -0.101784
# -----------------------------------------------------------
$ 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) :        0.2552752889
        Electronic Contribution:
                  0    
      0      -0.327517
      1      -0.352107
      2       0.413509
        Nuclear Contribution:
                  0    
      0       0.289202
      1       0.345436
      2      -0.506104
        Total Dipole moment:
                  0    
      0      -0.038315
      1      -0.006672
      2      -0.092595
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     18.810000000000   21.310000000000   13.770000000000
               1 C     19.170000000000   19.990000000000   14.470000000000
               2 C     19.270000000000   20.220000000000   16.040000000000
               3 C     19.200000000000   21.780000000000   16.150000000000
               4 C     18.550000000000   22.370000000000   14.900000000000
               5 H     17.960000000000   21.260000000000   13.140000000000
               6 H     19.700000000000   21.680000000000   13.230000000000
               7 H     20.160000000000   19.650000000000   14.130000000000
               8 H     18.480000000000   19.180000000000   14.280000000000
               9 H     20.120000000000   19.760000000000   16.540000000000
              10 H     18.400000000000   19.850000000000   16.600000000000
              11 H     20.220000000000   22.280000000000   16.250000000000
              12 H     18.590000000000   21.990000000000   17.000000000000
              13 H     18.910000000000   23.350000000000   14.720000000000
              14 H     17.470000000000   22.520000000000   14.910000000000
              15 C     19.360000000000   16.140000000000   12.920000000000
              16 C     18.330000000000   16.300000000000   14.020000000000
              17 C     17.700000000000   14.920000000000   14.230000000000
              18 C     18.240000000000   14.030000000000   13.140000000000
              19 C     19.170000000000   14.790000000000   12.280000000000
              20 H     20.390000000000   16.310000000000   13.330000000000
              21 H     19.230000000000   16.890000000000   12.150000000000
              22 H     17.600000000000   17.030000000000   13.730000000000
              23 H     18.760000000000   16.700000000000   14.950000000000
              24 H     16.570000000000   15.050000000000   14.200000000000
              25 H     17.930000000000   14.510000000000   15.210000000000
              26 H     17.440000000000   13.440000000000   12.590000000000
              27 H     18.800000000000   13.150000000000   13.530000000000
              28 H     18.880000000000   14.970000000000   11.220000000000
              29 H     20.160000000000   14.380000000000   12.170000000000
              30 C     20.570000000000   23.750000000000   18.620000000000
              31 C     20.920000000000   22.310000000000   19.130000000000
              32 C     19.740000000000   21.780000000000   20.000000000000
              33 C     18.520000000000   22.690000000000   19.790000000000
              34 C     19.040000000000   23.930000000000   18.950000000000
              35 H     20.760000000000   23.920000000000   17.580000000000
              36 H     21.260000000000   24.450000000000   19.080000000000
              37 H     21.820000000000   22.280000000000   19.790000000000
              38 H     21.170000000000   21.810000000000   18.220000000000
              39 H     20.100000000000   21.750000000000   21.040000000000
              40 H     19.440000000000   20.800000000000   19.620000000000
              41 H     18.040000000000   23.060000000000   20.700000000000
              42 H     17.730000000000   22.180000000000   19.220000000000
              43 H     18.870000000000   24.940000000000   19.460000000000
              44 H     18.460000000000   23.980000000000   18.080000000000
              45 C     23.250000000000   19.570000000000   14.690000000000
              46 C     22.830000000000   21.010000000000   14.850000000000
              47 C     22.540000000000   21.520000000000   13.420000000000
              48 C     22.620000000000   20.350000000000   12.450000000000
              49 C     22.930000000000   19.070000000000   13.260000000000
              50 H     22.600000000000   19.070000000000   15.380000000000
              51 H     24.390000000000   19.510000000000   14.890000000000
              52 H     23.690000000000   21.600000000000   15.290000000000
              53 H     22.030000000000   21.120000000000   15.570000000000
              54 H     23.430000000000   22.020000000000   13.010000000000
              55 H     21.560000000000   22.050000000000   13.260000000000
              56 H     23.350000000000   20.480000000000   11.660000000000
              57 H     21.620000000000   20.230000000000   12.050000000000
              58 H     23.680000000000   18.650000000000   12.760000000000
              59 H     21.970000000000   18.460000000000   13.240000000000
              60 C     17.100000000000   22.940000000000    9.910000000000
              61 C     17.110000000000   24.180000000000    9.040000000000
              62 C     17.760000000000   23.770000000000    7.730000000000
              63 C     18.340000000000   22.330000000000    7.900000000000
              64 C     18.130000000000   21.920000000000    9.330000000000
              65 H     16.050000000000   22.540000000000    9.880000000000
              66 H     17.360000000000   23.130000000000   10.960000000000
              67 H     17.650000000000   24.960000000000    9.550000000000
              68 H     16.100000000000   24.460000000000    8.760000000000
              69 H     18.530000000000   24.480000000000    7.430000000000
              70 H     16.970000000000   23.820000000000    6.960000000000
              71 H     19.400000000000   22.430000000000    7.620000000000
              72 H     17.840000000000   21.680000000000    7.140000000000
              73 H     19.070000000000   21.910000000000    9.900000000000
              74 H     17.690000000000   20.910000000000    9.420000000000
              75 C     20.240000000000   24.760000000000   11.980000000000
              76 C     18.980000000000   25.410000000000   12.480000000000
              77 C     18.760000000000   26.700000000000   11.840000000000
              78 C     19.780000000000   26.780000000000   10.680000000000
              79 C     20.780000000000   25.570000000000   10.820000000000
              80 H     20.010000000000   23.740000000000   11.530000000000
              81 H     21.050000000000   24.620000000000   12.710000000000
              82 H     19.090000000000   25.470000000000   13.560000000000
              83 H     18.160000000000   24.730000000000   12.370000000000
              84 H     18.910000000000   27.430000000000   12.670000000000
              85 H     17.810000000000   26.780000000000   11.380000000000
              86 H     20.380000000000   27.720000000000   10.870000000000
              87 H     19.310000000000   26.770000000000    9.710000000000
              88 H     21.840000000000   25.900000000000   10.860000000000
              89 H     20.880000000000   25.020000000000    9.890000000000
