-------------------------------------------------------------
----------------------- !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:    -1171.2043213309
# -----------------------------------------------------------
$ 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     6.1585     6.0000    -0.1585     3.9322     3.9322     0.0000
  1   0     6.1792     6.0000    -0.1792     3.8858     3.8858     0.0000
  2   0     6.1291     6.0000    -0.1291     3.9038     3.9038    -0.0000
  3   0     6.1459     6.0000    -0.1459     3.9086     3.9086     0.0000
  4   0     6.1654     6.0000    -0.1654     3.8830     3.8830     0.0000
  5   0     0.9169     1.0000     0.0831     0.9805     0.9805    -0.0000
  6   0     0.9128     1.0000     0.0872     0.9780     0.9780     0.0000
  7   0     0.9214     1.0000     0.0786     0.9756     0.9756     0.0000
  8   0     0.9192     1.0000     0.0808     0.9743     0.9743     0.0000
  9   0     0.9296     1.0000     0.0704     0.9847     0.9847    -0.0000
 10   0     0.9080     1.0000     0.0920     0.9782     0.9782    -0.0000
 11   0     0.9149     1.0000     0.0851     0.9744     0.9744     0.0000
 12   0     0.9506     1.0000     0.0494     0.9883     0.9883     0.0000
 13   0     0.9247     1.0000     0.0753     0.9736     0.9736     0.0000
 14   0     0.9208     1.0000     0.0792     0.9735     0.9735     0.0000
 15   0     6.1489     6.0000    -0.1489     3.9293     3.9293    -0.0000
 16   0     6.1621     6.0000    -0.1621     3.8580     3.8580     0.0000
 17   0     6.1749     6.0000    -0.1749     3.8748     3.8748     0.0000
 18   0     6.1857     6.0000    -0.1857     3.9077     3.9077     0.0000
 19   0     6.1780     6.0000    -0.1780     3.8715     3.8715    -0.0000
 20   0     0.9163     1.0000     0.0837     0.9761     0.9761    -0.0000
 21   0     0.9188     1.0000     0.0812     0.9723     0.9723     0.0000
 22   0     0.9277     1.0000     0.0723     0.9738     0.9738     0.0000
 23   0     0.9100     1.0000     0.0900     0.9702     0.9702     0.0000
 24   0     0.9243     1.0000     0.0757     0.9854     0.9854     0.0000
 25   0     0.9213     1.0000     0.0787     0.9739     0.9739     0.0000
 26   0     0.9181     1.0000     0.0819     0.9717     0.9717     0.0000
 27   0     0.9014     1.0000     0.0986     0.9711     0.9711    -0.0000
 28   0     0.9009     1.0000     0.0991     0.9704     0.9704     0.0000
 29   0     0.9109     1.0000     0.0891     0.9690     0.9690    -0.0000
 30   0     6.1049     6.0000    -0.1049     3.8773     3.8773    -0.0000
 31   0     6.1735     6.0000    -0.1735     3.9131     3.9131    -0.0000
 32   0     6.1845     6.0000    -0.1845     3.8934     3.8934    -0.0000
 33   0     6.1800     6.0000    -0.1800     3.8873     3.8873    -0.0000
 34   0     6.1481     6.0000    -0.1481     3.9301     3.9301    -0.0000
 35   0     0.9084     1.0000     0.0916     0.9784     0.9784     0.0000
 36   0     0.9675     1.0000     0.0325     1.0087     1.0087     0.0000
 37   0     0.9281     1.0000     0.0719     0.9726     0.9726    -0.0000
 38   0     0.9163     1.0000     0.0837     0.9755     0.9755    -0.0000
 39   0     0.9097     1.0000     0.0903     0.9757     0.9757    -0.0000
 40   0     0.9165     1.0000     0.0835     0.9775     0.9775     0.0000
 41   0     0.8962     1.0000     0.1038     0.9685     0.9685     0.0000
 42   0     0.9228     1.0000     0.0772     0.9808     0.9808    -0.0000
 43   0     0.9281     1.0000     0.0719     0.9790     0.9790    -0.0000
 44   0     0.9194     1.0000     0.0806     0.9775     0.9775    -0.0000
 45   0     6.1451     6.0000    -0.1451     3.8830     3.8830    -0.0000
 46   0     6.1329     6.0000    -0.1329     3.9033     3.9033    -0.0000
 47   0     6.2184     6.0000    -0.2184     3.9212     3.9212     0.0000
 48   0     6.1119     6.0000    -0.1119     3.8782     3.8782     0.0000
 49   0     6.2050     6.0000    -0.2050     3.9524     3.9524    -0.0000
 50   0     0.9240     1.0000     0.0760     0.9798     0.9798    -0.0000
 51   0     0.9397     1.0000     0.0603     0.9707     0.9707    -0.0000
 52   0     0.9095     1.0000     0.0905     0.9782     0.9782     0.0000
 53   0     0.9237     1.0000     0.0763     0.9769     0.9769    -0.0000
 54   0     0.9131     1.0000     0.0869     0.9735     0.9735    -0.0000
 55   0     0.9052     1.0000     0.0948     0.9704     0.9704     0.0000
 56   0     0.9181     1.0000     0.0819     0.9764     0.9764    -0.0000
 57   0     0.9228     1.0000     0.0772     0.9805     0.9805     0.0000
 58   0     0.9130     1.0000     0.0870     0.9725     0.9725    -0.0000
 59   0     0.9105     1.0000     0.0895     0.9714     0.9714    -0.0000
 60   0     6.1525     6.0000    -0.1525     3.9307     3.9307     0.0000
 61   0     6.1667     6.0000    -0.1667     3.8973     3.8973    -0.0000
 62   0     6.1474     6.0000    -0.1474     3.8858     3.8858    -0.0000
 63   0     6.1547     6.0000    -0.1547     3.8711     3.8711     0.0000
 64   0     6.1271     6.0000    -0.1271     3.9196     3.9196     0.0000
 65   0     0.9219     1.0000     0.0781     0.9741     0.9741    -0.0000
 66   0     0.9105     1.0000     0.0895     0.9843     0.9843    -0.0000
 67   0     0.9107     1.0000     0.0893     0.9701     0.9701     0.0000
 68   0     0.9156     1.0000     0.0844     0.9797     0.9797    -0.0000
 69   0     0.9508     1.0000     0.0492     0.9932     0.9932    -0.0000
 70   0     0.9190     1.0000     0.0810     0.9764     0.9764    -0.0000
 71   0     0.9299     1.0000     0.0701     0.9739     0.9739    -0.0000
 72   0     0.9599     1.0000     0.0401     1.0023     1.0023     0.0000
 73   0     0.9131     1.0000     0.0869     0.9719     0.9719    -0.0000
 74   0     0.9273     1.0000     0.0727     0.9771     0.9771     0.0000
 75   0     6.1995     6.0000    -0.1995     3.8900     3.8900     0.0000
 76   0     6.1700     6.0000    -0.1700     3.8846     3.8846    -0.0000
 77   0     6.1852     6.0000    -0.1852     3.8506     3.8506     0.0000
 78   0     6.1726     6.0000    -0.1726     3.9008     3.9008     0.0000
 79   0     6.1390     6.0000    -0.1390     3.8813     3.8813    -0.0000
 80   0     0.9142     1.0000     0.0858     0.9756     0.9756     0.0000
 81   0     0.9109     1.0000     0.0891     0.9737     0.9737     0.0000
 82   0     0.9106     1.0000     0.0894     0.9798     0.9798     0.0000
 83   0     0.9025     1.0000     0.0975     0.9727     0.9727    -0.0000
 84   0     0.9261     1.0000     0.0739     0.9752     0.9752     0.0000
 85   0     0.9146     1.0000     0.0854     0.9742     0.9742     0.0000
 86   0     0.9146     1.0000     0.0854     0.9733     0.9733     0.0000
 87   0     0.9140     1.0000     0.0860     0.9792     0.9792    -0.0000
 88   0     0.9182     1.0000     0.0818     0.9782     0.9782    -0.0000
 89   0     0.9076     1.0000     0.0924     0.9743     0.9743    -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                0.975972
                0             6               4            6                0.978237
                0             6               5            1                0.990807
                0             6               6            1                0.998051
                1             6               2            6                0.965925
                1             6               7            1                0.990932
                1             6               8            1                0.992809
                2             6               3            6                0.982414
                2             6               9            1                0.995088
                2             6              10            1                0.977682
                3             6               4            6                0.963466
                3             6              11            1                0.992649
                3             6              12            1                1.001383
                4             6              13            1                0.993545
                4             6              14            1                0.995328
               15             6              16            6                0.977526
               15             6              19            6                0.973143
               15             6              20            1                0.997616
               15             6              21            1                0.997141
               16             6              17            6                0.937834
               16             6              22            1                1.000314
               16             6              23            1                0.993958
               17             6              18            6                0.981358
               17             6              24            1                0.993176
               17             6              25            1                0.993552
               18             6              19            6                0.964982
               18             6              26            1                0.996319
               18             6              27            1                0.988275
               19             6              28            1                0.990797
               19             6              29            1                0.996866
               30             6              31            6                0.964475
               30             6              34            6                0.965834
               30             6              35            1                0.985944
               30             6              36            1                1.012599
               31             6              32            6                0.966619
               31             6              37            1                1.006772
               31             6              38            1                0.994962
               32             6              33            6                0.976415
               32             6              39            1                0.989912
               32             6              40            1                0.995590
               33             6              34            6                0.969373
               33             6              41            1                0.982096
               33             6              42            1                0.987938
               34             6              43            1                1.012322
               34             6              44            1                0.994947
               45             6              46            6                0.975881
               45             6              49            6                0.979214
               45             6              50            1                0.994995
               45             6              51            1                0.994090
               46             6              47            6                0.969761
               46             6              52            1                0.985506
               46             6              53            1                0.991104
               47             6              48            6                0.970228
               47             6              54            1                0.997850
               47             6              55            1                0.988241
               48             6              49            6                0.978519
               48             6              56            1                0.986290
               48             6              57            1                0.995764
               49             6              58            1                0.992762
               49             6              59            1                0.990169
               60             6              61            6                0.971352
               60             6              64            6                0.995702
               60             6              65            1                0.990918
               60             6              66            1                0.991924
               61             6              62            6                0.963001
               61             6              67            1                0.993168
               61             6              68            1                0.993324
               62             6              63            6                0.953490
               62             6              69            1                1.007928
               62             6              70            1                0.992949
               63             6              64            6                0.969075
               63             6              71            1                0.995210
               63             6              72            1                0.998550
               64             6              73            1                0.987641
               64             6              74            1                0.986746
               75             6              76            6                0.969865
               75             6              79            6                0.967945
               75             6              80            1                0.993476
               75             6              81            1                0.991681
               76             6              77            6                0.959361
               76             6              82            1                0.991923
               76             6              83            1                0.985419
               77             6              78            6                0.957895
               77             6              84            1                0.997540
               77             6              85            1                0.994692
               78             6              79            6                0.977588
               78             6              86            1                0.992078
               78             6              87            1                0.993604
               79             6              88            1                0.988509
               79             6              89            1                0.984639
# -----------------------------------------------------------
$ 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     6.1659     6.0000    -0.1659     4.0377     3.7255     0.3122
  1   0     6.1874     6.0000    -0.1874     3.9993     3.6754     0.3239
  2   0     6.1366     6.0000    -0.1366     4.0103     3.6976     0.3127
  3   0     6.1547     6.0000    -0.1547     4.0170     3.6974     0.3196
  4   0     6.1733     6.0000    -0.1733     3.9907     3.6737     0.3170
  5   0     0.9131     1.0000     0.0869     0.9897     0.9380     0.0517
  6   0     0.9091     1.0000     0.0909     0.9871     0.9379     0.0492
  7   0     0.9171     1.0000     0.0829     0.9851     0.9329     0.0522
  8   0     0.9154     1.0000     0.0846     0.9840     0.9323     0.0517
  9   0     0.9255     1.0000     0.0745     0.9944     0.9455     0.0489
 10   0     0.9040     1.0000     0.0960     0.9873     0.9368     0.0505
 11   0     0.9107     1.0000     0.0893     0.9833     0.9316     0.0517
 12   0     0.9467     1.0000     0.0533     0.9990     0.9431     0.0559
 13   0     0.9206     1.0000     0.0794     0.9833     0.9299     0.0534
 14   0     0.9169     1.0000     0.0831     0.9829     0.9314     0.0515
 15   0     6.1572     6.0000    -0.1572     4.0366     3.7169     0.3197
 16   0     6.1698     6.0000    -0.1698     3.9698     3.6477     0.3221
 17   0     6.1822     6.0000    -0.1822     3.9884     3.6587     0.3297
 18   0     6.1931     6.0000    -0.1931     4.0178     3.6967     0.3211
 19   0     6.1869     6.0000    -0.1869     3.9882     3.6531     0.3351
 20   0     0.9122     1.0000     0.0878     0.9850     0.9349     0.0501
 21   0     0.9150     1.0000     0.0850     0.9817     0.9280     0.0537
 22   0     0.9239     1.0000     0.0761     0.9838     0.9303     0.0535
 23   0     0.9060     1.0000     0.0940     0.9793     0.9273     0.0520
 24   0     0.9209     1.0000     0.0791     0.9960     0.9431     0.0529
 25   0     0.9172     1.0000     0.0828     0.9836     0.9298     0.0538
 26   0     0.9143     1.0000     0.0857     0.9812     0.9285     0.0527
 27   0     0.8973     1.0000     0.1027     0.9795     0.9304     0.0491
 28   0     0.8971     1.0000     0.1029     0.9793     0.9259     0.0534
 29   0     0.9068     1.0000     0.0932     0.9783     0.9249     0.0534
 30   0     6.1126     6.0000    -0.1126     3.9825     3.6662     0.3163
 31   0     6.1808     6.0000    -0.1808     4.0203     3.7053     0.3150
 32   0     6.1926     6.0000    -0.1926     4.0066     3.6825     0.3241
 33   0     6.1875     6.0000    -0.1875     3.9993     3.6771     0.3222
 34   0     6.1573     6.0000    -0.1573     4.0416     3.7164     0.3252
 35   0     0.9044     1.0000     0.0956     0.9872     0.9374     0.0498
 36   0     0.9638     1.0000     0.0362     1.0197     0.9653     0.0544
 37   0     0.9247     1.0000     0.0753     0.9834     0.9309     0.0525
 38   0     0.9123     1.0000     0.0877     0.9847     0.9333     0.0514
 39   0     0.9057     1.0000     0.0943     0.9849     0.9319     0.0530
 40   0     0.9123     1.0000     0.0877     0.9865     0.9335     0.0530
 41   0     0.8923     1.0000     0.1077     0.9772     0.9244     0.0528
 42   0     0.9186     1.0000     0.0814     0.9900     0.9369     0.0531
 43   0     0.9240     1.0000     0.0760     0.9884     0.9349     0.0535
 44   0     0.9151     1.0000     0.0849     0.9869     0.9348     0.0521
 45   0     6.1527     6.0000    -0.1527     3.9903     3.6779     0.3124
 46   0     6.1406     6.0000    -0.1406     4.0117     3.6958     0.3159
 47   0     6.2275     6.0000    -0.2275     4.0367     3.7056     0.3311
 48   0     6.1180     6.0000    -0.1180     3.9814     3.6665     0.3149
 49   0     6.2148     6.0000    -0.2148     4.0664     3.7378     0.3286
 50   0     0.9198     1.0000     0.0802     0.9892     0.9381     0.0511
 51   0     0.9362     1.0000     0.0638     0.9820     0.9284     0.0536
 52   0     0.9054     1.0000     0.0946     0.9873     0.9374     0.0499
 53   0     0.9192     1.0000     0.0808     0.9863     0.9365     0.0498
 54   0     0.9093     1.0000     0.0907     0.9829     0.9302     0.0527
 55   0     0.9010     1.0000     0.0990     0.9792     0.9285     0.0507
 56   0     0.9150     1.0000     0.0850     0.9870     0.9355     0.0515
 57   0     0.9187     1.0000     0.0813     0.9900     0.9383     0.0517
 58   0     0.9089     1.0000     0.0911     0.9815     0.9274     0.0541
 59   0     0.9063     1.0000     0.0937     0.9803     0.9280     0.0523
 60   0     6.1598     6.0000    -0.1598     4.0360     3.7224     0.3136
 61   0     6.1745     6.0000    -0.1745     4.0065     3.6827     0.3238
 62   0     6.1549     6.0000    -0.1549     3.9940     3.6721     0.3219
 63   0     6.1622     6.0000    -0.1622     3.9816     3.6530     0.3286
 64   0     6.1352     6.0000    -0.1352     4.0250     3.7147     0.3103
 65   0     0.9181     1.0000     0.0819     0.9838     0.9303     0.0535
 66   0     0.9066     1.0000     0.0934     0.9933     0.9456     0.0477
 67   0     0.9070     1.0000     0.0930     0.9795     0.9261     0.0534
 68   0     0.9118     1.0000     0.0882     0.9890     0.9374     0.0516
 69   0     0.9470     1.0000     0.0530     1.0037     0.9494     0.0543
 70   0     0.9155     1.0000     0.0845     0.9861     0.9339     0.0522
 71   0     0.9258     1.0000     0.0742     0.9838     0.9315     0.0523
 72   0     0.9558     1.0000     0.0442     1.0131     0.9551     0.0580
 73   0     0.9092     1.0000     0.0908     0.9812     0.9301     0.0511
 74   0     0.9232     1.0000     0.0768     0.9866     0.9350     0.0516
 75   0     6.2068     6.0000    -0.2068     4.0043     3.6722     0.3321
 76   0     6.1776     6.0000    -0.1776     3.9957     3.6672     0.3285
 77   0     6.1928     6.0000    -0.1928     3.9649     3.6308     0.3341
 78   0     6.1799     6.0000    -0.1799     4.0093     3.6908     0.3185
 79   0     6.1466     6.0000    -0.1466     3.9901     3.6666     0.3235
 80   0     0.9103     1.0000     0.0897     0.9851     0.9323     0.0528
 81   0     0.9073     1.0000     0.0927     0.9833     0.9300     0.0533
 82   0     0.9069     1.0000     0.0931     0.9889     0.9365     0.0524
 83   0     0.8988     1.0000     0.1012     0.9816     0.9302     0.0514
 84   0     0.9224     1.0000     0.0776     0.9853     0.9278     0.0575
 85   0     0.9108     1.0000     0.0892     0.9838     0.9308     0.0530
 86   0     0.9110     1.0000     0.0890     0.9827     0.9307     0.0520
 87   0     0.9102     1.0000     0.0898     0.9883     0.9397     0.0486
 88   0     0.9144     1.0000     0.0856     0.9877     0.9347     0.0530
 89   0     0.9039     1.0000     0.0961     0.9835     0.9321     0.0514
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.915036
                0             6               4            6                0.916257
                0             6               5            1                0.949724
                0             6               6            1                0.959245
                1             6               2            6                0.902418
                1             6               7            1                0.949590
                1             6               8            1                0.951923
                2             6               3            6                0.921508
                2             6               9            1                0.957081
                2             6              10            1                0.938069
                3             6               4            6                0.902002
                3             6              11            1                0.951124
                3             6              12            1                0.957392
                4             6              13            1                0.951165
                4             6              14            1                0.954449
               15             6              16            6                0.919171
               15             6              19            6                0.906498
               15             6              20            1                0.957552
               15             6              21            1                0.953950
               16             6              17            6                0.872490
               16             6              22            1                0.957717
               16             6              23            1                0.952433
               17             6              18            6                0.918524
               17             6              24            1                0.952046
               17             6              25            1                0.950229
               18             6              19            6                0.901813
               18             6              26            1                0.954035
               18             6              27            1                0.949055
               19             6              28            1                0.947658
               19             6              29            1                0.953650
               30             6              31            6                0.902845
               30             6              34            6                0.901421
               30             6              35            1                0.946483
               30             6              36            1                0.970208
               31             6              32            6                0.905099
               31             6              37            1                0.965864
               31             6              38            1                0.954129
               32             6              33            6                0.916126
               32             6              39            1                0.947351
               32             6              40            1                0.952819
               33             6              34            6                0.908576
               33             6              41            1                0.939424
               33             6              42            1                0.945526
               34             6              43            1                0.968926
               34             6              44            1                0.953419
               45             6              46            6                0.915765
               45             6              49            6                0.918688
               45             6              50            1                0.954776
               45             6              51            1                0.952785
               46             6              47            6                0.905107
               46             6              52            1                0.946223
               46             6              53            1                0.951906
               47             6              48            6                0.906099
               47             6              54            1                0.955476
               47             6              55            1                0.947828
               48             6              49            6                0.914783
               48             6              56            1                0.946568
               48             6              57            1                0.954658
               49             6              58            1                0.948894
               49             6              59            1                0.948125
               60             6              61            6                0.905295
               60             6              64            6                0.937305
               60             6              65            1                0.948402
               60             6              66            1                0.954802
               61             6              62            6                0.901830
               61             6              67            1                0.950476
               61             6              68            1                0.952366
               62             6              63            6                0.888134
               62             6              69            1                0.965153
               62             6              70            1                0.951665
               63             6              64            6                0.907172
               63             6              71            1                0.953449
               63             6              72            1                0.952452
               64             6              73            1                0.947408
               64             6              74            1                0.946101
               75             6              76            6                0.905066
               75             6              79            6                0.902566
               75             6              80            1                0.951509
               75             6              81            1                0.949291
               76             6              77            6                0.894002
               76             6              82            1                0.950016
               76             6              83            1                0.944382
               77             6              78            6                0.893978
               77             6              84            1                0.951391
               77             6              85            1                0.952478
               78             6              79            6                0.914740
               78             6              86            1                0.950690
               78             6              87            1                0.955561
               79             6              88            1                0.946503
               79             6              89            1                0.943946
# -----------------------------------------------------------
$ 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     6.2108     6.0000    -0.2108     4.0202     3.7120     0.3082
  1   0     6.2474     6.0000    -0.2474     3.9942     3.6744     0.3198
  2   0     6.1860     6.0000    -0.1860     3.9889     3.6802     0.3087
  3   0     6.2109     6.0000    -0.2109     3.9920     3.6765     0.3155
  4   0     6.2183     6.0000    -0.2183     3.9688     3.6560     0.3128
  5   0     0.8888     1.0000     0.1112     0.9809     0.9302     0.0507
  6   0     0.8855     1.0000     0.1145     0.9783     0.9301     0.0482
  7   0     0.8905     1.0000     0.1095     0.9784     0.9275     0.0509
  8   0     0.8874     1.0000     0.1126     0.9782     0.9278     0.0504
  9   0     0.8992     1.0000     0.1008     0.9856     0.9377     0.0479
 10   0     0.8815     1.0000     0.1185     0.9820     0.9326     0.0494
 11   0     0.8866     1.0000     0.1134     0.9760     0.9254     0.0506
 12   0     0.9169     1.0000     0.0831     0.9967     0.9421     0.0546
 13   0     0.8960     1.0000     0.1040     0.9757     0.9234     0.0523
 14   0     0.8923     1.0000     0.1077     0.9767     0.9263     0.0504
 15   0     6.2122     6.0000    -0.2122     4.0195     3.7041     0.3154
 16   0     6.2228     6.0000    -0.2228     3.9587     3.6407     0.3180
 17   0     6.2322     6.0000    -0.2322     3.9769     3.6517     0.3252
 18   0     6.2438     6.0000    -0.2438     4.0085     3.6918     0.3167
 19   0     6.2365     6.0000    -0.2365     3.9717     3.6407     0.3310
 20   0     0.8883     1.0000     0.1117     0.9769     0.9278     0.0491
 21   0     0.8888     1.0000     0.1112     0.9766     0.9241     0.0525
 22   0     0.8950     1.0000     0.1050     0.9754     0.9232     0.0522
 23   0     0.8820     1.0000     0.1180     0.9710     0.9200     0.0510
 24   0     0.8935     1.0000     0.1065     0.9906     0.9391     0.0515
 25   0     0.8896     1.0000     0.1104     0.9730     0.9204     0.0526
 26   0     0.8861     1.0000     0.1139     0.9726     0.9212     0.0514
 27   0     0.8736     1.0000     0.1264     0.9729     0.9249     0.0480
 28   0     0.8734     1.0000     0.1266     0.9721     0.9198     0.0523
 29   0     0.8845     1.0000     0.1155     0.9695     0.9171     0.0524
 30   0     6.1785     6.0000    -0.1785     3.9756     3.6633     0.3123
 31   0     6.2210     6.0000    -0.2210     3.9947     3.6839     0.3108
 32   0     6.2476     6.0000    -0.2476     3.9993     3.6798     0.3195
 33   0     6.2381     6.0000    -0.2381     4.0010     3.6835     0.3175
 34   0     6.2095     6.0000    -0.2095     4.0138     3.6926     0.3212
 35   0     0.8836     1.0000     0.1164     0.9795     0.9307     0.0488
 36   0     0.9262     1.0000     0.0738     1.0083     0.9554     0.0529
 37   0     0.9002     1.0000     0.0998     0.9797     0.9284     0.0513
 38   0     0.8873     1.0000     0.1127     0.9761     0.9258     0.0503
 39   0     0.8797     1.0000     0.1203     0.9751     0.9234     0.0517
 40   0     0.8820     1.0000     0.1180     0.9750     0.9234     0.0516
 41   0     0.8705     1.0000     0.1295     0.9701     0.9183     0.0518
 42   0     0.8920     1.0000     0.1080     0.9818     0.9300     0.0518
 43   0     0.8984     1.0000     0.1016     0.9852     0.9330     0.0522
 44   0     0.8909     1.0000     0.1091     0.9816     0.9307     0.0509
 45   0     6.2107     6.0000    -0.2107     3.9865     3.6784     0.3081
 46   0     6.1901     6.0000    -0.1901     3.9937     3.6818     0.3119
 47   0     6.2669     6.0000    -0.2669     4.0223     3.6955     0.3268
 48   0     6.1622     6.0000    -0.1622     3.9773     3.6668     0.3105
 49   0     6.2530     6.0000    -0.2530     4.0441     3.7202     0.3239
 50   0     0.8938     1.0000     0.1062     0.9788     0.9288     0.0500
 51   0     0.9061     1.0000     0.0939     0.9792     0.9270     0.0522
 52   0     0.8816     1.0000     0.1184     0.9812     0.9326     0.0486
 53   0     0.8958     1.0000     0.1042     0.9762     0.9274     0.0488
 54   0     0.8843     1.0000     0.1157     0.9766     0.9251     0.0515
 55   0     0.8813     1.0000     0.1187     0.9713     0.9216     0.0497
 56   0     0.8947     1.0000     0.1053     0.9875     0.9372     0.0503
 57   0     0.8977     1.0000     0.1023     0.9793     0.9285     0.0508
 58   0     0.8856     1.0000     0.1144     0.9750     0.9221     0.0529
 59   0     0.8865     1.0000     0.1135     0.9725     0.9211     0.0514
 60   0     6.2051     6.0000    -0.2051     4.0183     3.7089     0.3094
 61   0     6.2207     6.0000    -0.2207     3.9971     3.6774     0.3197
 62   0     6.2172     6.0000    -0.2172     3.9815     3.6637     0.3178
 63   0     6.2211     6.0000    -0.2211     3.9604     3.6361     0.3243
 64   0     6.1888     6.0000    -0.1888     4.0112     3.7051     0.3061
 65   0     0.8955     1.0000     0.1045     0.9763     0.9237     0.0526
 66   0     0.8839     1.0000     0.1161     0.9844     0.9377     0.0467
 67   0     0.8860     1.0000     0.1140     0.9735     0.9211     0.0524
 68   0     0.8880     1.0000     0.1120     0.9797     0.9291     0.0506
 69   0     0.9108     1.0000     0.0892     0.9918     0.9389     0.0529
 70   0     0.8912     1.0000     0.1088     0.9813     0.9302     0.0511
 71   0     0.8941     1.0000     0.1059     0.9745     0.9236     0.0509
 72   0     0.9202     1.0000     0.0798     1.0027     0.9463     0.0564
 73   0     0.8868     1.0000     0.1132     0.9751     0.9250     0.0501
 74   0     0.8954     1.0000     0.1046     0.9774     0.9269     0.0505
 75   0     6.2523     6.0000    -0.2523     3.9920     3.6640     0.3280
 76   0     6.2246     6.0000    -0.2246     3.9894     3.6650     0.3244
 77   0     6.2358     6.0000    -0.2358     3.9538     3.6242     0.3296
 78   0     6.2301     6.0000    -0.2301     3.9955     3.6809     0.3146
 79   0     6.1977     6.0000    -0.1977     3.9828     3.6634     0.3194
 80   0     0.8863     1.0000     0.1137     0.9745     0.9227     0.0518
 81   0     0.8835     1.0000     0.1165     0.9778     0.9256     0.0522
 82   0     0.8824     1.0000     0.1176     0.9796     0.9283     0.0513
 83   0     0.8792     1.0000     0.1208     0.9744     0.9239     0.0505
 84   0     0.8953     1.0000     0.1047     0.9781     0.9219     0.0562
 85   0     0.8874     1.0000     0.1126     0.9750     0.9231     0.0519
 86   0     0.8864     1.0000     0.1136     0.9745     0.9235     0.0510
 87   0     0.8849     1.0000     0.1151     0.9787     0.9312     0.0475
 88   0     0.8904     1.0000     0.1096     0.9787     0.9268     0.0519
 89   0     0.8826     1.0000     0.1174     0.9763     0.9258     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                0.926129
                0             6               4            6                0.924003
                0             6               5            1                0.935182
                0             6               6            1                0.946125
                1             6               2            6                0.910405
                1             6               7            1                0.933641
                1             6               8            1                0.940647
                2             6               3            6                0.927620
                2             6               9            1                0.945526
                2             6              10            1                0.927080
                3             6               4            6                0.908831
                3             6              11            1                0.937489
                3             6              12            1                0.940329
                4             6              13            1                0.937115
                4             6              14            1                0.941715
               15             6              16            6                0.930613
               15             6              19            6                0.910573
               15             6              20            1                0.943458
               15             6              21            1                0.939449
               16             6              17            6                0.880685
               16             6              22            1                0.944875
               16             6              23            1                0.937336
               17             6              18            6                0.925339
               17             6              24            1                0.941165
               17             6              25            1                0.935128
               18             6              19            6                0.912309
               18             6              26            1                0.940195
               18             6              27            1                0.937001
               19             6              28            1                0.933471
               19             6              29            1                0.937204
               30             6              31            6                0.910887
               30             6              34            6                0.910055
               30             6              35            1                0.930718
               30             6              36            1                0.959200
               31             6              32            6                0.918433
               31             6              37            1                0.951412
               31             6              38            1                0.937300
               32             6              33            6                0.929102
               32             6              39            1                0.928539
               32             6              40            1                0.936562
               33             6              34            6                0.923752
               33             6              41            1                0.924756
               33             6              42            1                0.930720
               34             6              43            1                0.948659
               34             6              44            1                0.934314
               45             6              46            6                0.927109
               45             6              49            6                0.930524
               45             6              50            1                0.937480
               45             6              51            1                0.939805
               46             6              47            6                0.914868
               46             6              52            1                0.931502
               46             6              53            1                0.937292
               47             6              48            6                0.918306
               47             6              54            1                0.941447
               47             6              55            1                0.931753
               48             6              49            6                0.927704
               48             6              56            1                0.936751
               48             6              57            1                0.936439
               49             6              58            1                0.930172
               49             6              59            1                0.931829
               60             6              61            6                0.913714
               60             6              64            6                0.948374
               60             6              65            1                0.932260
               60             6              66            1                0.943807
               61             6              62            6                0.918247
               61             6              67            1                0.934525
               61             6              68            1                0.940185
               62             6              63            6                0.892317
               62             6              69            1                0.951405
               62             6              70            1                0.936387
               63             6              64            6                0.917103
               63             6              71            1                0.940858
               63             6              72            1                0.936541
               64             6              73            1                0.933669
               64             6              74            1                0.933205
               75             6              76            6                0.915051
               75             6              79            6                0.915944
               75             6              80            1                0.935628
               75             6              81            1                0.936291
               76             6              77            6                0.906622
               76             6              82            1                0.936441
               76             6              83            1                0.932425
               77             6              78            6                0.904718
               77             6              84            1                0.937648
               77             6              85            1                0.938907
               78             6              79            6                0.922225
               78             6              86            1                0.938335
               78             6              87            1                0.943476
               79             6              88            1                0.932736
               79             6              89            1                0.933280
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2043213309
        Correlation Energy:       -5.0731931160
        Total MP2 Energy:      -1176.2775144469
# -----------------------------------------------------------
$ 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) :        0.2794115779
        Electronic Contribution:
                  0    
      0       0.149189
      1      -0.086921
      2       0.033122
        Nuclear Contribution:
                  0    
      0      -0.096401
      1       0.032134
      2      -0.112467
        Total Dipole moment:
                  0    
      0       0.052788
      1      -0.054787
      2      -0.079345
# -----------------------------------------------------------
$ 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) :        0.2752237370
        Electronic Contribution:
                  0    
      0       0.147866
      1      -0.085608
      2       0.033625
        Nuclear Contribution:
                  0    
      0      -0.096401
      1       0.032134
      2      -0.112467
        Total Dipole moment:
                  0    
      0       0.051466
      1      -0.053475
      2      -0.078843
# -----------------------------------------------------------
$ 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) :        0.2127019149
        Electronic Contribution:
                  0    
      0       0.125651
      1      -0.070509
      2       0.044098
        Nuclear Contribution:
                  0    
      0      -0.096401
      1       0.032134
      2      -0.112467
        Total Dipole moment:
                  0    
      0       0.029250
      1      -0.038375
      2      -0.068370
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     23.100000000000   19.200000000000   20.690000000000
               1 C     22.590000000000   17.850000000000   20.180000000000
               2 C     21.860000000000   17.170000000000   21.360000000000
               3 C     21.370000000000   18.300000000000   22.220000000000
               4 C     22.190000000000   19.510000000000   21.860000000000
               5 H     23.030000000000   20.060000000000   20.020000000000
               6 H     24.090000000000   19.220000000000   21.050000000000
               7 H     23.360000000000   17.200000000000   19.760000000000
               8 H     21.950000000000   17.850000000000   19.330000000000
               9 H     22.620000000000   16.750000000000   21.920000000000
              10 H     21.090000000000   16.500000000000   20.990000000000
              11 H     21.470000000000   18.040000000000   23.290000000000
              12 H     20.310000000000   18.600000000000   22.030000000000
              13 H     22.790000000000   19.770000000000   22.760000000000
              14 H     21.500000000000   20.310000000000   21.620000000000
              15 C     12.410000000000   17.980000000000   16.370000000000
              16 C     13.630000000000   17.260000000000   16.690000000000
              17 C     13.310000000000   16.030000000000   17.700000000000
              18 C     11.800000000000   16.000000000000   17.960000000000
              19 C     11.240000000000   17.180000000000   17.130000000000
              20 H     12.240000000000   17.970000000000   15.310000000000
              21 H     12.560000000000   19.050000000000   16.640000000000
              22 H     14.330000000000   17.950000000000   17.150000000000
              23 H     14.160000000000   17.030000000000   15.760000000000
              24 H     13.950000000000   16.010000000000   18.550000000000
              25 H     13.560000000000   15.080000000000   17.200000000000
              26 H     11.590000000000   16.250000000000   19.000000000000
              27 H     11.330000000000   15.060000000000   17.770000000000
              28 H     10.470000000000   17.790000000000   17.670000000000
              29 H     10.590000000000   16.730000000000   16.360000000000
              30 C     18.930000000000   18.600000000000   19.010000000000
              31 C     18.800000000000   17.270000000000   18.310000000000
              32 C     17.650000000000   16.510000000000   18.950000000000
              33 C     17.390000000000   17.090000000000   20.310000000000
              34 C     17.920000000000   18.510000000000   20.180000000000
              35 H     18.870000000000   19.410000000000   18.310000000000
              36 H     19.880000000000   18.680000000000   19.500000000000
              37 H     19.770000000000   16.860000000000   18.410000000000
              38 H     18.620000000000   17.320000000000   17.240000000000
              39 H     17.930000000000   15.450000000000   18.840000000000
              40 H     16.760000000000   16.630000000000   18.300000000000
              41 H     17.880000000000   16.540000000000   21.170000000000
              42 H     16.310000000000   17.170000000000   20.500000000000
              43 H     18.470000000000   18.850000000000   21.070000000000
              44 H     17.120000000000   19.250000000000   20.050000000000
              45 C     13.660000000000   14.900000000000   21.150000000000
              46 C     13.450000000000   13.760000000000   20.220000000000
              47 C     14.860000000000   13.480000000000   19.580000000000
              48 C     15.890000000000   13.970000000000   20.630000000000
              49 C     15.020000000000   14.670000000000   21.710000000000
              50 H     12.980000000000   14.950000000000   21.980000000000
              51 H     13.500000000000   15.860000000000   20.700000000000
              52 H     12.610000000000   13.850000000000   19.570000000000
              53 H     13.160000000000   12.980000000000   20.860000000000
              54 H     15.030000000000   14.030000000000   18.650000000000
              55 H     14.930000000000   12.440000000000   19.260000000000
              56 H     16.660000000000   14.550000000000   20.200000000000
              57 H     16.290000000000   13.050000000000   21.050000000000
              58 H     15.470000000000   15.660000000000   22.010000000000
              59 H     14.900000000000   14.080000000000   22.650000000000
              60 C     11.930000000000   21.570000000000   20.820000000000
              61 C     13.220000000000   21.890000000000   19.930000000000
              62 C     13.630000000000   20.590000000000   19.270000000000
              63 C     12.720000000000   19.490000000000   19.930000000000
              64 C     11.940000000000   20.120000000000   21.070000000000
              65 H     11.120000000000   21.880000000000   20.120000000000
              66 H     11.860000000000   22.130000000000   21.690000000000
              67 H     14.130000000000   22.200000000000   20.500000000000
              68 H     13.030000000000   22.640000000000   19.160000000000
              69 H     14.660000000000   20.330000000000   19.510000000000
              70 H     13.610000000000   20.420000000000   18.210000000000
              71 H     13.260000000000   18.650000000000   20.310000000000
              72 H     12.060000000000   18.990000000000   19.140000000000
              73 H     12.340000000000   19.860000000000   22.060000000000
              74 H     10.960000000000   19.690000000000   20.960000000000
              75 C     24.240000000000   14.370000000000   17.820000000000
              76 C     23.300000000000   13.620000000000   18.850000000000
              77 C     21.950000000000   13.620000000000   18.030000000000
              78 C     22.090000000000   14.130000000000   16.550000000000
              79 C     23.610000000000   14.230000000000   16.350000000000
              80 H     25.280000000000   14.020000000000   17.870000000000
              81 H     24.430000000000   15.400000000000   18.150000000000
              82 H     23.090000000000   14.190000000000   19.770000000000
              83 H     23.640000000000   12.600000000000   19.130000000000
              84 H     21.130000000000   14.280000000000   18.500000000000
              85 H     21.560000000000   12.600000000000   18.110000000000
              86 H     21.510000000000   15.060000000000   16.460000000000
              87 H     21.710000000000   13.510000000000   15.810000000000
              88 H     23.740000000000   15.140000000000   15.740000000000
              89 H     24.030000000000   13.360000000000   15.820000000000
