-------------------------------------------------------------
----------------------- !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:    -1171.1773090003
# -----------------------------------------------------------
$ 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     6.1020     6.0000    -0.1020     3.8637     3.8637     0.0000
  1   0     6.2111     6.0000    -0.2111     3.8917     3.8917    -0.0000
  2   0     6.1432     6.0000    -0.1432     3.8791     3.8791    -0.0000
  3   0     6.1731     6.0000    -0.1731     3.8973     3.8973     0.0000
  4   0     6.1643     6.0000    -0.1643     3.9373     3.9373     0.0000
  5   0     0.9245     1.0000     0.0755     0.9810     0.9810     0.0000
  6   0     0.9302     1.0000     0.0698     0.9820     0.9820     0.0000
  7   0     0.9464     1.0000     0.0536     0.9769     0.9769    -0.0000
  8   0     0.9080     1.0000     0.0920     0.9735     0.9735    -0.0000
  9   0     0.9163     1.0000     0.0837     0.9801     0.9801     0.0000
 10   0     0.9165     1.0000     0.0835     0.9783     0.9783     0.0000
 11   0     0.9162     1.0000     0.0838     0.9741     0.9741    -0.0000
 12   0     0.9181     1.0000     0.0819     0.9757     0.9757     0.0000
 13   0     0.9143     1.0000     0.0857     0.9738     0.9738     0.0000
 14   0     0.9169     1.0000     0.0831     0.9809     0.9809     0.0000
 15   0     6.1754     6.0000    -0.1754     3.8886     3.8886    -0.0000
 16   0     6.1126     6.0000    -0.1126     3.8778     3.8778    -0.0000
 17   0     6.1576     6.0000    -0.1576     3.8990     3.8990    -0.0000
 18   0     6.1703     6.0000    -0.1703     3.8754     3.8754    -0.0000
 19   0     6.1777     6.0000    -0.1777     3.9035     3.9035    -0.0000
 20   0     0.9173     1.0000     0.0827     0.9742     0.9742    -0.0000
 21   0     0.9102     1.0000     0.0898     0.9730     0.9730    -0.0000
 22   0     0.9768     1.0000     0.0232     0.9997     0.9997    -0.0000
 23   0     0.9053     1.0000     0.0947     0.9806     0.9806    -0.0000
 24   0     0.9125     1.0000     0.0875     0.9789     0.9789    -0.0000
 25   0     0.9239     1.0000     0.0761     0.9749     0.9749    -0.0000
 26   0     0.9244     1.0000     0.0756     0.9817     0.9817    -0.0000
 27   0     0.9189     1.0000     0.0811     0.9721     0.9721    -0.0000
 28   0     0.9129     1.0000     0.0871     0.9747     0.9747     0.0000
 29   0     0.9096     1.0000     0.0904     0.9751     0.9751    -0.0000
 30   0     6.1664     6.0000    -0.1664     3.8923     3.8923     0.0000
 31   0     6.2066     6.0000    -0.2066     3.9017     3.9017    -0.0000
 32   0     6.1379     6.0000    -0.1379     3.9020     3.9020    -0.0000
 33   0     6.1523     6.0000    -0.1523     3.9029     3.9029    -0.0000
 34   0     6.1487     6.0000    -0.1487     3.9095     3.9095     0.0000
 35   0     0.9445     1.0000     0.0555     0.9803     0.9803    -0.0000
 36   0     0.9001     1.0000     0.0999     0.9766     0.9766     0.0000
 37   0     0.9018     1.0000     0.0982     0.9753     0.9753     0.0000
 38   0     0.9267     1.0000     0.0733     0.9734     0.9734     0.0000
 39   0     0.9198     1.0000     0.0802     0.9741     0.9741     0.0000
 40   0     0.9158     1.0000     0.0842     0.9771     0.9771    -0.0000
 41   0     0.9284     1.0000     0.0716     0.9769     0.9769    -0.0000
 42   0     0.9193     1.0000     0.0807     0.9746     0.9746    -0.0000
 43   0     0.9135     1.0000     0.0865     0.9786     0.9786    -0.0000
 44   0     0.9174     1.0000     0.0826     0.9712     0.9712    -0.0000
 45   0     6.1686     6.0000    -0.1686     3.9114     3.9114     0.0000
 46   0     6.1354     6.0000    -0.1354     3.8762     3.8762    -0.0000
 47   0     6.1592     6.0000    -0.1592     3.9225     3.9225    -0.0000
 48   0     6.1673     6.0000    -0.1673     3.8998     3.8998    -0.0000
 49   0     6.1765     6.0000    -0.1765     3.9238     3.9238    -0.0000
 50   0     0.9281     1.0000     0.0719     0.9672     0.9672     0.0000
 51   0     0.9339     1.0000     0.0661     0.9805     0.9805    -0.0000
 52   0     0.8875     1.0000     0.1125     0.9672     0.9672    -0.0000
 53   0     0.9223     1.0000     0.0777     0.9712     0.9712    -0.0000
 54   0     0.9317     1.0000     0.0683     0.9938     0.9938    -0.0000
 55   0     0.9451     1.0000     0.0549     0.9818     0.9818    -0.0000
 56   0     0.9279     1.0000     0.0721     0.9741     0.9741    -0.0000
 57   0     0.9018     1.0000     0.0982     0.9714     0.9714    -0.0000
 58   0     0.9079     1.0000     0.0921     0.9703     0.9703    -0.0000
 59   0     0.9030     1.0000     0.0970     0.9797     0.9797    -0.0000
 60   0     6.1577     6.0000    -0.1577     3.9017     3.9017    -0.0000
 61   0     6.1610     6.0000    -0.1610     3.8759     3.8759    -0.0000
 62   0     6.1492     6.0000    -0.1492     3.8856     3.8856    -0.0000
 63   0     6.1745     6.0000    -0.1745     3.8859     3.8859    -0.0000
 64   0     6.1696     6.0000    -0.1696     3.8909     3.8909    -0.0000
 65   0     0.9090     1.0000     0.0910     0.9740     0.9740     0.0000
 66   0     0.9235     1.0000     0.0765     0.9750     0.9750     0.0000
 67   0     0.9303     1.0000     0.0697     0.9745     0.9745    -0.0000
 68   0     0.9150     1.0000     0.0850     0.9765     0.9765    -0.0000
 69   0     0.9133     1.0000     0.0867     0.9811     0.9811    -0.0000
 70   0     0.9241     1.0000     0.0759     0.9753     0.9753     0.0000
 71   0     0.9187     1.0000     0.0813     0.9725     0.9725     0.0000
 72   0     0.9136     1.0000     0.0864     0.9743     0.9743     0.0000
 73   0     0.9232     1.0000     0.0768     0.9831     0.9831    -0.0000
 74   0     0.9167     1.0000     0.0833     0.9774     0.9774    -0.0000
 75   0     6.1807     6.0000    -0.1807     3.8845     3.8845    -0.0000
 76   0     6.1167     6.0000    -0.1167     3.8922     3.8922     0.0000
 77   0     6.1880     6.0000    -0.1880     3.8724     3.8724     0.0000
 78   0     6.1608     6.0000    -0.1608     3.9004     3.9004     0.0000
 79   0     6.1569     6.0000    -0.1569     3.8974     3.8974     0.0000
 80   0     0.9205     1.0000     0.0795     0.9768     0.9768    -0.0000
 81   0     0.9212     1.0000     0.0788     0.9728     0.9728    -0.0000
 82   0     0.9326     1.0000     0.0674     0.9798     0.9798     0.0000
 83   0     0.9172     1.0000     0.0828     0.9779     0.9779     0.0000
 84   0     0.9195     1.0000     0.0805     0.9714     0.9714     0.0000
 85   0     0.9198     1.0000     0.0802     0.9721     0.9721    -0.0000
 86   0     0.9115     1.0000     0.0885     0.9742     0.9742    -0.0000
 87   0     0.9180     1.0000     0.0820     0.9829     0.9829     0.0000
 88   0     0.9191     1.0000     0.0809     0.9830     0.9830     0.0000
 89   0     0.9164     1.0000     0.0836     0.9779     0.9779     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                0.953445
                0             6               4            6                0.976982
                0             6               5            1                1.000339
                0             6               6            1                0.992334
                1             6               2            6                0.968749
                1             6               7            1                0.994352
                1             6               8            1                0.994690
                2             6               3            6                0.961863
                2             6               9            1                0.993894
                2             6              10            1                0.994636
                3             6               4            6                0.980579
                3             6              11            1                0.992890
                3             6              12            1                1.001122
                4             6              13            1                0.986815
                4             6              14            1                0.997327
               15             6              16            6                0.954605
               15             6              19            6                0.975037
               15             6              20            1                0.997522
               15             6              21            1                0.992757
               16             6              17            6                0.968551
               16             6              22            1                1.002803
               16             6              23            1                0.990918
               17             6              18            6                0.970534
               17             6              24            1                0.985053
               17             6              25            1                0.990686
               18             6              19            6                0.965928
               18             6              26            1                0.987832
               18             6              27            1                0.994214
               19             6              28            1                0.986181
               19             6              29            1                0.991758
               30             6              31            6                0.971168
               30             6              34            6                0.971185
               30             6              35            1                0.991068
               30             6              36            1                0.985350
               31             6              32            6                0.975747
               31             6              37            1                0.992267
               31             6              38            1                0.993855
               32             6              33            6                0.984109
               32             6              39            1                0.987906
               32             6              40            1                0.989556
               33             6              34            6                0.981865
               33             6              41            1                0.995971
               33             6              42            1                0.988036
               34             6              43            1                0.993864
               34             6              44            1                0.990345
               45             6              46            6                0.969695
               45             6              49            6                0.976141
               45             6              50            1                0.998016
               45             6              51            1                0.992023
               46             6              47            6                0.961333
               46             6              52            1                0.983515
               46             6              53            1                1.001085
               47             6              48            6                0.976979
               47             6              54            1                1.000297
               47             6              55            1                1.003299
               48             6              49            6                0.970540
               48             6              56            1                0.999012
               48             6              57            1                0.989323
               49             6              58            1                0.998415
               49             6              59            1                0.992741
               60             6              61            6                0.974131
               60             6              64            6                0.984025
               60             6              65            1                0.980567
               60             6              66            1                0.988456
               61             6              62            6                0.962657
               61             6              67            1                0.991580
               61             6              68            1                0.990305
               62             6              63            6                0.976916
               62             6              69            1                0.988244
               62             6              70            1                0.991057
               63             6              64            6                0.958647
               63             6              71            1                0.985322
               63             6              72            1                0.990662
               64             6              73            1                0.993735
               64             6              74            1                0.989502
               75             6              76            6                0.977535
               75             6              79            6                0.958518
               75             6              80            1                0.994181
               75             6              81            1                0.997503
               76             6              77            6                0.962441
               76             6              82            1                0.991059
               76             6              83            1                0.987143
               77             6              78            6                0.963967
               77             6              84            1                0.990618
               77             6              85            1                0.993572
               78             6              79            6                0.984026
               78             6              86            1                0.986344
               78             6              87            1                0.993603
               79             6              88            1                0.989327
               79             6              89            1                0.988927
# -----------------------------------------------------------
$ 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     6.1088     6.0000    -0.1088     3.9686     3.6577     0.3109
  1   0     6.2186     6.0000    -0.2186     4.0041     3.6755     0.3286
  2   0     6.1509     6.0000    -0.1509     3.9881     3.6683     0.3198
  3   0     6.1810     6.0000    -0.1810     4.0072     3.6858     0.3214
  4   0     6.1726     6.0000    -0.1726     4.0449     3.7233     0.3216
  5   0     0.9206     1.0000     0.0794     0.9909     0.9391     0.0518
  6   0     0.9262     1.0000     0.0738     0.9919     0.9400     0.0519
  7   0     0.9432     1.0000     0.0568     0.9887     0.9290     0.0597
  8   0     0.9040     1.0000     0.0960     0.9823     0.9305     0.0518
  9   0     0.9124     1.0000     0.0876     0.9892     0.9399     0.0493
 10   0     0.9126     1.0000     0.0874     0.9877     0.9372     0.0505
 11   0     0.9124     1.0000     0.0876     0.9835     0.9304     0.0531
 12   0     0.9143     1.0000     0.0857     0.9852     0.9339     0.0513
 13   0     0.9106     1.0000     0.0894     0.9831     0.9298     0.0533
 14   0     0.9130     1.0000     0.0870     0.9899     0.9401     0.0498
 15   0     6.1833     6.0000    -0.1833     3.9998     3.6796     0.3202
 16   0     6.1200     6.0000    -0.1200     3.9843     3.6679     0.3164
 17   0     6.1657     6.0000    -0.1657     4.0092     3.6802     0.3290
 18   0     6.1784     6.0000    -0.1784     3.9880     3.6565     0.3315
 19   0     6.1853     6.0000    -0.1853     4.0127     3.6918     0.3209
 20   0     0.9133     1.0000     0.0867     0.9839     0.9333     0.0506
 21   0     0.9063     1.0000     0.0937     0.9821     0.9319     0.0502
 22   0     0.9732     1.0000     0.0268     1.0116     0.9549     0.0567
 23   0     0.9011     1.0000     0.0989     0.9891     0.9423     0.0468
 24   0     0.9086     1.0000     0.0914     0.9880     0.9351     0.0529
 25   0     0.9199     1.0000     0.0801     0.9848     0.9294     0.0554
 26   0     0.9209     1.0000     0.0791     0.9923     0.9371     0.0552
 27   0     0.9147     1.0000     0.0853     0.9815     0.9267     0.0548
 28   0     0.9092     1.0000     0.0908     0.9841     0.9304     0.0537
 29   0     0.9056     1.0000     0.0944     0.9839     0.9347     0.0492
 30   0     6.1732     6.0000    -0.1732     4.0003     3.6777     0.3226
 31   0     6.2145     6.0000    -0.2145     4.0163     3.6850     0.3313
 32   0     6.1460     6.0000    -0.1460     4.0091     3.6908     0.3183
 33   0     6.1600     6.0000    -0.1600     4.0104     3.6895     0.3209
 34   0     6.1571     6.0000    -0.1571     4.0179     3.7013     0.3166
 35   0     0.9409     1.0000     0.0591     0.9913     0.9328     0.0585
 36   0     0.8961     1.0000     0.1039     0.9851     0.9367     0.0484
 37   0     0.8979     1.0000     0.1021     0.9842     0.9338     0.0504
 38   0     0.9226     1.0000     0.0774     0.9831     0.9254     0.0577
 39   0     0.9160     1.0000     0.0840     0.9836     0.9301     0.0535
 40   0     0.9119     1.0000     0.0881     0.9862     0.9332     0.0530
 41   0     0.9245     1.0000     0.0755     0.9867     0.9305     0.0562
 42   0     0.9153     1.0000     0.0847     0.9839     0.9313     0.0526
 43   0     0.9096     1.0000     0.0904     0.9876     0.9378     0.0498
 44   0     0.9134     1.0000     0.0866     0.9803     0.9272     0.0531
 45   0     6.1757     6.0000    -0.1757     4.0182     3.7007     0.3175
 46   0     6.1445     6.0000    -0.1445     3.9888     3.6670     0.3218
 47   0     6.1665     6.0000    -0.1665     4.0308     3.7100     0.3208
 48   0     6.1743     6.0000    -0.1743     4.0093     3.6869     0.3224
 49   0     6.1852     6.0000    -0.1852     4.0356     3.7077     0.3279
 50   0     0.9241     1.0000     0.0759     0.9773     0.9234     0.0539
 51   0     0.9299     1.0000     0.0701     0.9908     0.9386     0.0522
 52   0     0.8834     1.0000     0.1166     0.9752     0.9259     0.0493
 53   0     0.9179     1.0000     0.0821     0.9808     0.9261     0.0547
 54   0     0.9278     1.0000     0.0722     1.0036     0.9522     0.0514
 55   0     0.9410     1.0000     0.0590     0.9925     0.9379     0.0546
 56   0     0.9240     1.0000     0.0760     0.9840     0.9295     0.0545
 57   0     0.8979     1.0000     0.1021     0.9803     0.9296     0.0507
 58   0     0.9041     1.0000     0.0959     0.9795     0.9236     0.0559
 59   0     0.8992     1.0000     0.1008     0.9884     0.9383     0.0501
 60   0     6.1652     6.0000    -0.1652     4.0101     3.6842     0.3259
 61   0     6.1691     6.0000    -0.1691     3.9850     3.6624     0.3226
 62   0     6.1577     6.0000    -0.1577     3.9960     3.6727     0.3233
 63   0     6.1817     6.0000    -0.1817     3.9953     3.6748     0.3205
 64   0     6.1771     6.0000    -0.1771     4.0006     3.6769     0.3237
 65   0     0.9051     1.0000     0.0949     0.9831     0.9289     0.0542
 66   0     0.9196     1.0000     0.0804     0.9845     0.9265     0.0580
 67   0     0.9264     1.0000     0.0736     0.9846     0.9301     0.0545
 68   0     0.9111     1.0000     0.0889     0.9857     0.9333     0.0524
 69   0     0.9092     1.0000     0.0908     0.9899     0.9401     0.0498
 70   0     0.9201     1.0000     0.0799     0.9850     0.9290     0.0560
 71   0     0.9154     1.0000     0.0846     0.9832     0.9283     0.0549
 72   0     0.9095     1.0000     0.0905     0.9834     0.9314     0.0520
 73   0     0.9196     1.0000     0.0804     0.9929     0.9403     0.0526
 74   0     0.9128     1.0000     0.0872     0.9867     0.9345     0.0522
 75   0     6.1884     6.0000    -0.1884     3.9957     3.6782     0.3175
 76   0     6.1248     6.0000    -0.1248     3.9977     3.6860     0.3117
 77   0     6.1967     6.0000    -0.1967     3.9857     3.6590     0.3267
 78   0     6.1686     6.0000    -0.1686     4.0097     3.6877     0.3220
 79   0     6.1643     6.0000    -0.1643     4.0054     3.6862     0.3192
 80   0     0.9164     1.0000     0.0836     0.9864     0.9359     0.0505
 81   0     0.9174     1.0000     0.0826     0.9826     0.9322     0.0504
 82   0     0.9286     1.0000     0.0714     0.9895     0.9360     0.0535
 83   0     0.9132     1.0000     0.0868     0.9870     0.9388     0.0482
 84   0     0.9155     1.0000     0.0845     0.9807     0.9252     0.0555
 85   0     0.9155     1.0000     0.0845     0.9815     0.9295     0.0520
 86   0     0.9077     1.0000     0.0923     0.9836     0.9310     0.0526
 87   0     0.9139     1.0000     0.0861     0.9921     0.9441     0.0480
 88   0     0.9152     1.0000     0.0848     0.9923     0.9421     0.0502
 89   0     0.9126     1.0000     0.0874     0.9873     0.9375     0.0498
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.895656
                0             6               4            6                0.912909
                0             6               5            1                0.959489
                0             6               6            1                0.951425
                1             6               2            6                0.902532
                1             6               7            1                0.947828
                1             6               8            1                0.952874
                2             6               3            6                0.899540
                2             6               9            1                0.954643
                2             6              10            1                0.954576
                3             6               4            6                0.917128
                3             6              11            1                0.950378
                3             6              12            1                0.960378
                4             6              13            1                0.944163
                4             6              14            1                0.957824
               15             6              16            6                0.891973
               15             6              19            6                0.911557
               15             6              20            1                0.957785
               15             6              21            1                0.952857
               16             6              17            6                0.905847
               16             6              22            1                0.959067
               16             6              23            1                0.954066
               17             6              18            6                0.904461
               17             6              24            1                0.942920
               17             6              25            1                0.946497
               18             6              19            6                0.903464
               18             6              26            1                0.944684
               18             6              27            1                0.949947
               19             6              28            1                0.943403
               19             6              29            1                0.952712
               30             6              31            6                0.905672
               30             6              34            6                0.911003
               30             6              35            1                0.944613
               30             6              36            1                0.946758
               31             6              32            6                0.914496
               31             6              37            1                0.951993
               31             6              38            1                0.947134
               32             6              33            6                0.922762
               32             6              39            1                0.945489
               32             6              40            1                0.947193
               33             6              34            6                0.919295
               33             6              41            1                0.950904
               33             6              42            1                0.946120
               34             6              43            1                0.954524
               34             6              44            1                0.947437
               45             6              46            6                0.910361
               45             6              49            6                0.912040
               45             6              50            1                0.954891
               45             6              51            1                0.951289
               46             6              47            6                0.898617
               46             6              52            1                0.943677
               46             6              53            1                0.956410
               47             6              48            6                0.914086
               47             6              54            1                0.959744
               47             6              55            1                0.960300
               48             6              49            6                0.907943
               48             6              56            1                0.955277
               48             6              57            1                0.948720
               49             6              58            1                0.952966
               49             6              59            1                0.952606
               60             6              61            6                0.914074
               60             6              64            6                0.920187
               60             6              65            1                0.937393
               60             6              66            1                0.941494
               61             6              62            6                0.897184
               61             6              67            1                0.948545
               61             6              68            1                0.948731
               62             6              63            6                0.917212
               62             6              69            1                0.948792
               62             6              70            1                0.946326
               63             6              64            6                0.895416
               63             6              71            1                0.942667
               63             6              72            1                0.948925
               64             6              73            1                0.952216
               64             6              74            1                0.947993
               75             6              76            6                0.916046
               75             6              79            6                0.895845
               75             6              80            1                0.954583
               75             6              81            1                0.957922
               76             6              77            6                0.901752
               76             6              82            1                0.948568
               76             6              83            1                0.949552
               77             6              78            6                0.900274
               77             6              84            1                0.945720
               77             6              85            1                0.952178
               78             6              79            6                0.917918
               78             6              86            1                0.944541
               78             6              87            1                0.956048
               79             6              88            1                0.949889
               79             6              89            1                0.950052
# -----------------------------------------------------------
$ 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     6.1710     6.0000    -0.1710     3.9644     3.6576     0.3068
  1   0     6.2596     6.0000    -0.2596     3.9874     3.6636     0.3238
  2   0     6.2096     6.0000    -0.2096     3.9736     3.6576     0.3160
  3   0     6.2340     6.0000    -0.2340     3.9883     3.6709     0.3174
  4   0     6.2189     6.0000    -0.2189     4.0166     3.6990     0.3176
  5   0     0.8944     1.0000     0.1056     0.9829     0.9323     0.0506
  6   0     0.8979     1.0000     0.1021     0.9866     0.9360     0.0506
  7   0     0.9160     1.0000     0.0840     0.9868     0.9286     0.0582
  8   0     0.8800     1.0000     0.1200     0.9737     0.9230     0.0507
  9   0     0.8827     1.0000     0.1173     0.9801     0.9321     0.0480
 10   0     0.8875     1.0000     0.1125     0.9795     0.9301     0.0494
 11   0     0.8859     1.0000     0.1141     0.9751     0.9231     0.0520
 12   0     0.8876     1.0000     0.1124     0.9761     0.9258     0.0503
 13   0     0.8877     1.0000     0.1123     0.9762     0.9238     0.0524
 14   0     0.8881     1.0000     0.1119     0.9817     0.9330     0.0487
 15   0     6.2344     6.0000    -0.2344     3.9817     3.6654     0.3163
 16   0     6.1854     6.0000    -0.1854     3.9763     3.6638     0.3125
 17   0     6.2038     6.0000    -0.2038     3.9795     3.6551     0.3244
 18   0     6.2320     6.0000    -0.2320     3.9805     3.6536     0.3269
 19   0     6.2282     6.0000    -0.2282     3.9935     3.6769     0.3166
 20   0     0.8875     1.0000     0.1125     0.9748     0.9253     0.0495
 21   0     0.8805     1.0000     0.1195     0.9745     0.9255     0.0490
 22   0     0.9338     1.0000     0.0662     1.0032     0.9480     0.0552
 23   0     0.8788     1.0000     0.1212     0.9798     0.9340     0.0458
 24   0     0.8869     1.0000     0.1131     0.9838     0.9320     0.0518
 25   0     0.8984     1.0000     0.1016     0.9772     0.9227     0.0545
 26   0     0.8936     1.0000     0.1064     0.9904     0.9366     0.0538
 27   0     0.8910     1.0000     0.1090     0.9738     0.9201     0.0537
 28   0     0.8866     1.0000     0.1134     0.9780     0.9253     0.0527
 29   0     0.8825     1.0000     0.1175     0.9768     0.9286     0.0482
 30   0     6.2208     6.0000    -0.2208     4.0000     3.6819     0.3181
 31   0     6.2616     6.0000    -0.2616     4.0110     3.6843     0.3267
 32   0     6.1970     6.0000    -0.1970     3.9979     3.6840     0.3139
 33   0     6.2060     6.0000    -0.2060     3.9869     3.6704     0.3165
 34   0     6.2101     6.0000    -0.2101     4.0084     3.6959     0.3125
 35   0     0.9148     1.0000     0.0852     0.9828     0.9257     0.0571
 36   0     0.8735     1.0000     0.1265     0.9773     0.9299     0.0474
 37   0     0.8730     1.0000     0.1270     0.9749     0.9257     0.0492
 38   0     0.8969     1.0000     0.1031     0.9745     0.9180     0.0565
 39   0     0.8934     1.0000     0.1066     0.9766     0.9240     0.0526
 40   0     0.8868     1.0000     0.1132     0.9773     0.9254     0.0519
 41   0     0.8987     1.0000     0.1013     0.9784     0.9233     0.0551
 42   0     0.8930     1.0000     0.1070     0.9778     0.9262     0.0516
 43   0     0.8857     1.0000     0.1143     0.9793     0.9306     0.0487
 44   0     0.8885     1.0000     0.1115     0.9718     0.9198     0.0520
 45   0     6.2358     6.0000    -0.2358     4.0160     3.7029     0.3131
 46   0     6.1963     6.0000    -0.1963     3.9809     3.6636     0.3173
 47   0     6.2217     6.0000    -0.2217     4.0011     3.6844     0.3167
 48   0     6.2305     6.0000    -0.2305     3.9990     3.6810     0.3180
 49   0     6.2221     6.0000    -0.2221     4.0165     3.6931     0.3234
 50   0     0.8985     1.0000     0.1015     0.9730     0.9203     0.0527
 51   0     0.9012     1.0000     0.0988     0.9820     0.9311     0.0509
 52   0     0.8627     1.0000     0.1373     0.9711     0.9229     0.0482
 53   0     0.8932     1.0000     0.1068     0.9743     0.9209     0.0534
 54   0     0.8952     1.0000     0.1048     0.9940     0.9441     0.0499
 55   0     0.9136     1.0000     0.0864     0.9855     0.9324     0.0531
 56   0     0.8947     1.0000     0.1053     0.9761     0.9230     0.0531
 57   0     0.8740     1.0000     0.1260     0.9746     0.9251     0.0495
 58   0     0.8820     1.0000     0.1180     0.9735     0.9187     0.0548
 59   0     0.8781     1.0000     0.1219     0.9795     0.9304     0.0491
 60   0     6.2015     6.0000    -0.2015     3.9878     3.6669     0.3209
 61   0     6.2213     6.0000    -0.2213     3.9677     3.6494     0.3183
 62   0     6.2051     6.0000    -0.2051     3.9766     3.6577     0.3189
 63   0     6.2265     6.0000    -0.2265     3.9837     3.6678     0.3159
 64   0     6.2314     6.0000    -0.2314     3.9894     3.6699     0.3195
 65   0     0.8869     1.0000     0.1131     0.9784     0.9251     0.0533
 66   0     0.8962     1.0000     0.1038     0.9788     0.9219     0.0569
 67   0     0.9005     1.0000     0.0995     0.9798     0.9264     0.0534
 68   0     0.8875     1.0000     0.1125     0.9774     0.9261     0.0513
 69   0     0.8856     1.0000     0.1144     0.9830     0.9343     0.0487
 70   0     0.8967     1.0000     0.1033     0.9776     0.9225     0.0551
 71   0     0.8925     1.0000     0.1075     0.9831     0.9294     0.0537
 72   0     0.8869     1.0000     0.1131     0.9747     0.9237     0.0510
 73   0     0.8930     1.0000     0.1070     0.9846     0.9332     0.0514
 74   0     0.8876     1.0000     0.1124     0.9774     0.9264     0.0510
 75   0     6.2405     6.0000    -0.2405     3.9703     3.6566     0.3137
 76   0     6.1766     6.0000    -0.1766     3.9720     3.6644     0.3076
 77   0     6.2442     6.0000    -0.2442     3.9627     3.6403     0.3224
 78   0     6.2175     6.0000    -0.2175     3.9878     3.6698     0.3180
 79   0     6.2140     6.0000    -0.2140     3.9863     3.6708     0.3155
 80   0     0.8895     1.0000     0.1105     0.9770     0.9277     0.0493
 81   0     0.8894     1.0000     0.1106     0.9751     0.9259     0.0492
 82   0     0.9015     1.0000     0.0985     0.9835     0.9312     0.0523
 83   0     0.8910     1.0000     0.1090     0.9823     0.9350     0.0473
 84   0     0.8874     1.0000     0.1126     0.9742     0.9200     0.0542
 85   0     0.8918     1.0000     0.1082     0.9754     0.9245     0.0509
 86   0     0.8853     1.0000     0.1147     0.9791     0.9276     0.0515
 87   0     0.8902     1.0000     0.1098     0.9851     0.9382     0.0469
 88   0     0.8902     1.0000     0.1098     0.9842     0.9351     0.0491
 89   0     0.8883     1.0000     0.1117     0.9804     0.9316     0.0488
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.914839
                0             6               4            6                0.918796
                0             6               5            1                0.945152
                0             6               6            1                0.940188
                1             6               2            6                0.904629
                1             6               7            1                0.930544
                1             6               8            1                0.938941
                2             6               3            6                0.910405
                2             6               9            1                0.943724
                2             6              10            1                0.942432
                3             6               4            6                0.919710
                3             6              11            1                0.936450
                3             6              12            1                0.947064
                4             6              13            1                0.930007
                4             6              14            1                0.946428
               15             6              16            6                0.902732
               15             6              19            6                0.917922
               15             6              20            1                0.944240
               15             6              21            1                0.940404
               16             6              17            6                0.912994
               16             6              22            1                0.946587
               16             6              23            1                0.940564
               17             6              18            6                0.915592
               17             6              24            1                0.930390
               17             6              25            1                0.929058
               18             6              19            6                0.911940
               18             6              26            1                0.932257
               18             6              27            1                0.935176
               19             6              28            1                0.928871
               19             6              29            1                0.942462
               30             6              31            6                0.918986
               30             6              34            6                0.925528
               30             6              35            1                0.926779
               30             6              36            1                0.936541
               31             6              32            6                0.929633
               31             6              37            1                0.937556
               31             6              38            1                0.930350
               32             6              33            6                0.931280
               32             6              39            1                0.928444
               32             6              40            1                0.932950
               33             6              34            6                0.929436
               33             6              41            1                0.933154
               33             6              42            1                0.932799
               34             6              43            1                0.941849
               34             6              44            1                0.931461
               45             6              46            6                0.924998
               45             6              49            6                0.921451
               45             6              50            1                0.941546
               45             6              51            1                0.937014
               46             6              47            6                0.906908
               46             6              52            1                0.931760
               46             6              53            1                0.937993
               47             6              48            6                0.921461
               47             6              54            1                0.945507
               47             6              55            1                0.941940
               48             6              49            6                0.921895
               48             6              56            1                0.937711
               48             6              57            1                0.935249
               49             6              58            1                0.932944
               49             6              59            1                0.938349
               60             6              61            6                0.925626
               60             6              64            6                0.931028
               60             6              65            1                0.922911
               60             6              66            1                0.926484
               61             6              62            6                0.900833
               61             6              67            1                0.936845
               61             6              68            1                0.934560
               62             6              63            6                0.931424
               62             6              69            1                0.938280
               62             6              70            1                0.929326
               63             6              64            6                0.903530
               63             6              71            1                0.929420
               63             6              72            1                0.934693
               64             6              73            1                0.939322
               64             6              74            1                0.934312
               75             6              76            6                0.921462
               75             6              79            6                0.902106
               75             6              80            1                0.940617
               75             6              81            1                0.947109
               76             6              77            6                0.906871
               76             6              82            1                0.934740
               76             6              83            1                0.940241
               77             6              78            6                0.906083
               77             6              84            1                0.932921
               77             6              85            1                0.940625
               78             6              79            6                0.920966
               78             6              86            1                0.932672
               78             6              87            1                0.947132
               79             6              88            1                0.938999
               79             6              89            1                0.940174
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1773090003
        Correlation Energy:       -5.0715063386
        Total MP2 Energy:      -1176.2488153389
# -----------------------------------------------------------
$ 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) :        0.2148194853
        Electronic Contribution:
                  0    
      0      -0.990788
      1      -0.196847
      2       0.065539
        Nuclear Contribution:
                  0    
      0       0.996140
      1       0.128534
      2      -0.016067
        Total Dipole moment:
                  0    
      0       0.005352
      1      -0.068312
      2       0.049472
# -----------------------------------------------------------
$ 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) :        0.2141650269
        Electronic Contribution:
                  0    
      0      -0.988333
      1      -0.196246
      2       0.065599
        Nuclear Contribution:
                  0    
      0       0.996140
      1       0.128534
      2      -0.016067
        Total Dipole moment:
                  0    
      0       0.007808
      1      -0.067712
      2       0.049532
# -----------------------------------------------------------
$ 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) :        0.2101337816
        Electronic Contribution:
                  0    
      0      -0.945858
      1      -0.173273
      2       0.064074
        Nuclear Contribution:
                  0    
      0       0.996140
      1       0.128534
      2      -0.016067
        Total Dipole moment:
                  0    
      0       0.050282
      1      -0.044738
      2       0.048007
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     17.000000000000   16.310000000000   22.410000000000
               1 C     17.550000000000   17.640000000000   22.100000000000
               2 C     17.280000000000   18.520000000000   23.390000000000
               3 C     16.450000000000   17.650000000000   24.370000000000
               4 C     16.180000000000   16.270000000000   23.740000000000
               5 H     17.830000000000   15.650000000000   22.550000000000
               6 H     16.380000000000   15.930000000000   21.620000000000
               7 H     17.080000000000   18.090000000000   21.150000000000
               8 H     18.620000000000   17.700000000000   21.870000000000
               9 H     16.770000000000   19.400000000000   23.140000000000
              10 H     18.240000000000   18.790000000000   23.780000000000
              11 H     15.530000000000   18.180000000000   24.690000000000
              12 H     16.950000000000   17.500000000000   25.310000000000
              13 H     15.080000000000   16.100000000000   23.550000000000
              14 H     16.530000000000   15.560000000000   24.450000000000
              15 C     14.590000000000   20.100000000000   14.950000000000
              16 C     13.170000000000   19.820000000000   15.490000000000
              17 C     12.870000000000   21.030000000000   16.380000000000
              18 C     14.260000000000   21.700000000000   16.720000000000
              19 C     15.310000000000   21.260000000000   15.700000000000
              20 H     14.480000000000   20.390000000000   13.940000000000
              21 H     15.090000000000   19.160000000000   14.900000000000
              22 H     13.180000000000   18.930000000000   16.130000000000
              23 H     12.390000000000   19.610000000000   14.860000000000
              24 H     12.330000000000   20.780000000000   17.320000000000
              25 H     12.350000000000   21.820000000000   15.740000000000
              26 H     14.550000000000   21.460000000000   17.770000000000
              27 H     14.180000000000   22.820000000000   16.560000000000
              28 H     16.250000000000   20.850000000000   16.160000000000
              29 H     15.550000000000   22.080000000000   15.060000000000
              30 C     16.830000000000   21.590000000000   20.970000000000
              31 C     16.910000000000   22.490000000000   19.660000000000
              32 C     18.060000000000   23.460000000000   19.740000000000
              33 C     18.940000000000   22.760000000000   20.740000000000
              34 C     18.130000000000   21.850000000000   21.670000000000
              35 H     16.800000000000   20.500000000000   20.620000000000
              36 H     15.920000000000   21.740000000000   21.480000000000
              37 H     16.030000000000   23.020000000000   19.380000000000
              38 H     17.100000000000   21.900000000000   18.680000000000
              39 H     17.840000000000   24.500000000000   20.120000000000
              40 H     18.590000000000   23.550000000000   18.760000000000
              41 H     19.430000000000   23.550000000000   21.410000000000
              42 H     19.730000000000   22.180000000000   20.230000000000
              43 H     18.010000000000   22.300000000000   22.630000000000
              44 H     18.710000000000   20.910000000000   21.820000000000
              45 C     12.440000000000   17.230000000000   18.940000000000
              46 C     13.680000000000   17.100000000000   18.180000000000
              47 C     14.630000000000   18.240000000000   18.590000000000
              48 C     14.010000000000   18.980000000000   19.760000000000
              49 C     12.540000000000   18.500000000000   19.840000000000
              50 H     12.240000000000   16.350000000000   19.580000000000
              51 H     11.620000000000   17.250000000000   18.260000000000
              52 H     13.740000000000   16.900000000000   17.120000000000
              53 H     14.040000000000   16.160000000000   18.650000000000
              54 H     14.930000000000   18.850000000000   17.790000000000
              55 H     15.610000000000   17.910000000000   18.920000000000
              56 H     14.030000000000   20.050000000000   19.540000000000
              57 H     14.720000000000   18.960000000000   20.560000000000
              58 H     11.760000000000   19.230000000000   19.400000000000
              59 H     12.260000000000   18.380000000000   20.870000000000
              60 C     19.250000000000   14.860000000000   18.540000000000
              61 C     19.100000000000   13.770000000000   19.540000000000
              62 C     17.630000000000   13.250000000000   19.430000000000
              63 C     16.830000000000   14.320000000000   18.750000000000
              64 C     17.830000000000   15.380000000000   18.210000000000
              65 H     19.810000000000   14.460000000000   17.620000000000
              66 H     19.760000000000   15.680000000000   19.200000000000
              67 H     19.220000000000   14.160000000000   20.580000000000
              68 H     19.740000000000   12.880000000000   19.400000000000
              69 H     17.280000000000   13.020000000000   20.410000000000
              70 H     17.760000000000   12.300000000000   18.780000000000
              71 H     16.090000000000   14.890000000000   19.350000000000
              72 H     16.280000000000   13.870000000000   17.910000000000
              73 H     17.690000000000   16.370000000000   18.630000000000
              74 H     17.750000000000   15.530000000000   17.130000000000
              75 C     10.050000000000   13.940000000000   18.520000000000
              76 C      9.510000000000   14.560000000000   19.800000000000
              77 C      8.880000000000   15.840000000000   19.370000000000
              78 C      8.720000000000   15.870000000000   17.820000000000
              79 C      9.350000000000   14.520000000000   17.260000000000
              80 H     10.040000000000   12.880000000000   18.610000000000
              81 H     11.080000000000   14.090000000000   18.440000000000
              82 H     10.360000000000   14.950000000000   20.380000000000
              83 H      8.810000000000   13.930000000000   20.270000000000
              84 H      9.500000000000   16.740000000000   19.740000000000
              85 H      7.900000000000   15.880000000000   19.850000000000
              86 H      9.260000000000   16.760000000000   17.430000000000
              87 H      7.710000000000   15.850000000000   17.620000000000
              88 H     10.060000000000   14.740000000000   16.490000000000
              89 H      8.630000000000   13.810000000000   16.930000000000
