-------------------------------------------------------------
----------------------- !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:    -1171.2146517478
# -----------------------------------------------------------
$ 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     6.2035     6.0000    -0.2035     3.8997     3.8997    -0.0000
  1   0     6.1916     6.0000    -0.1916     3.9495     3.9495    -0.0000
  2   0     6.0969     6.0000    -0.0969     3.8680     3.8680    -0.0000
  3   0     6.2317     6.0000    -0.2317     3.9081     3.9081    -0.0000
  4   0     6.0803     6.0000    -0.0803     3.8499     3.8499    -0.0000
  5   0     0.9255     1.0000     0.0745     0.9714     0.9714    -0.0000
  6   0     0.9065     1.0000     0.0935     0.9723     0.9723    -0.0000
  7   0     0.9042     1.0000     0.0958     0.9722     0.9722     0.0000
  8   0     0.9210     1.0000     0.0790     0.9783     0.9783     0.0000
  9   0     0.9458     1.0000     0.0542     0.9982     0.9982    -0.0000
 10   0     0.9024     1.0000     0.0976     0.9755     0.9755    -0.0000
 11   0     0.9101     1.0000     0.0899     0.9659     0.9659    -0.0000
 12   0     0.9043     1.0000     0.0957     0.9724     0.9724     0.0000
 13   0     0.9711     1.0000     0.0289     0.9903     0.9903     0.0000
 14   0     0.8972     1.0000     0.1028     0.9730     0.9730     0.0000
 15   0     6.2105     6.0000    -0.2105     3.9127     3.9127     0.0000
 16   0     6.0993     6.0000    -0.0993     3.8725     3.8725    -0.0000
 17   0     6.1999     6.0000    -0.1999     3.9209     3.9209     0.0000
 18   0     6.1567     6.0000    -0.1567     3.8813     3.8813    -0.0000
 19   0     6.1231     6.0000    -0.1231     3.8836     3.8836     0.0000
 20   0     0.9058     1.0000     0.0942     0.9730     0.9730     0.0000
 21   0     0.9328     1.0000     0.0672     0.9713     0.9713    -0.0000
 22   0     0.9279     1.0000     0.0721     0.9801     0.9801    -0.0000
 23   0     0.9292     1.0000     0.0708     0.9765     0.9765    -0.0000
 24   0     0.9266     1.0000     0.0734     0.9729     0.9729    -0.0000
 25   0     0.9088     1.0000     0.0912     0.9745     0.9745    -0.0000
 26   0     0.9123     1.0000     0.0877     0.9776     0.9776    -0.0000
 27   0     0.9159     1.0000     0.0841     0.9740     0.9740    -0.0000
 28   0     0.9453     1.0000     0.0547     0.9801     0.9801     0.0000
 29   0     0.9059     1.0000     0.0941     0.9743     0.9743     0.0000
 30   0     6.1080     6.0000    -0.1080     3.8895     3.8895    -0.0000
 31   0     6.1889     6.0000    -0.1889     3.9278     3.9278     0.0000
 32   0     6.1426     6.0000    -0.1426     3.8811     3.8811    -0.0000
 33   0     6.2028     6.0000    -0.2028     3.8232     3.8232     0.0000
 34   0     6.1943     6.0000    -0.1943     3.8669     3.8669    -0.0000
 35   0     0.9159     1.0000     0.0841     0.9782     0.9782    -0.0000
 36   0     0.9170     1.0000     0.0830     0.9753     0.9753     0.0000
 37   0     0.9127     1.0000     0.0873     0.9751     0.9751     0.0000
 38   0     0.9078     1.0000     0.0922     0.9769     0.9769     0.0000
 39   0     0.9201     1.0000     0.0799     0.9735     0.9735    -0.0000
 40   0     0.9038     1.0000     0.0962     0.9734     0.9734    -0.0000
 41   0     0.9354     1.0000     0.0646     0.9771     0.9771     0.0000
 42   0     0.9122     1.0000     0.0878     0.9760     0.9760     0.0000
 43   0     0.9117     1.0000     0.0883     0.9776     0.9776     0.0000
 44   0     0.9203     1.0000     0.0797     0.9715     0.9715    -0.0000
 45   0     6.1854     6.0000    -0.1854     3.9288     3.9288    -0.0000
 46   0     6.1240     6.0000    -0.1240     3.8934     3.8934    -0.0000
 47   0     6.2130     6.0000    -0.2130     3.9138     3.9138    -0.0000
 48   0     6.1322     6.0000    -0.1322     3.8794     3.8794    -0.0000
 49   0     6.1335     6.0000    -0.1335     3.8867     3.8867    -0.0000
 50   0     0.9097     1.0000     0.0903     0.9773     0.9773    -0.0000
 51   0     0.9204     1.0000     0.0796     0.9731     0.9731    -0.0000
 52   0     0.9154     1.0000     0.0846     0.9785     0.9785    -0.0000
 53   0     0.9168     1.0000     0.0832     0.9784     0.9784    -0.0000
 54   0     0.9056     1.0000     0.0944     0.9760     0.9760    -0.0000
 55   0     0.9171     1.0000     0.0829     0.9756     0.9756    -0.0000
 56   0     0.9361     1.0000     0.0639     0.9821     0.9821    -0.0000
 57   0     0.9543     1.0000     0.0457     0.9895     0.9895    -0.0000
 58   0     0.9322     1.0000     0.0678     0.9789     0.9789    -0.0000
 59   0     0.9074     1.0000     0.0926     0.9733     0.9733    -0.0000
 60   0     6.2512     6.0000    -0.2512     3.8818     3.8818    -0.0000
 61   0     6.1217     6.0000    -0.1217     3.8581     3.8581    -0.0000
 62   0     6.1914     6.0000    -0.1914     3.9220     3.9220    -0.0000
 63   0     6.0894     6.0000    -0.0894     3.9252     3.9252    -0.0000
 64   0     6.1176     6.0000    -0.1176     3.8695     3.8695     0.0000
 65   0     0.9033     1.0000     0.0967     0.9664     0.9664     0.0000
 66   0     0.9310     1.0000     0.0690     0.9661     0.9661    -0.0000
 67   0     0.9128     1.0000     0.0872     0.9771     0.9771    -0.0000
 68   0     0.9292     1.0000     0.0708     0.9788     0.9788    -0.0000
 69   0     0.9274     1.0000     0.0726     0.9725     0.9725    -0.0000
 70   0     0.9150     1.0000     0.0850     0.9790     0.9790     0.0000
 71   0     0.9210     1.0000     0.0790     0.9886     0.9886    -0.0000
 72   0     0.9194     1.0000     0.0806     0.9759     0.9759     0.0000
 73   0     0.9185     1.0000     0.0815     0.9761     0.9761     0.0000
 74   0     0.9547     1.0000     0.0453     0.9933     0.9933     0.0000
 75   0     6.1439     6.0000    -0.1439     3.9057     3.9057    -0.0000
 76   0     6.1834     6.0000    -0.1834     3.9126     3.9126     0.0000
 77   0     6.1333     6.0000    -0.1333     3.8990     3.8990    -0.0000
 78   0     6.1909     6.0000    -0.1909     3.9017     3.9017     0.0000
 79   0     6.0958     6.0000    -0.0958     3.8111     3.8111    -0.0000
 80   0     0.9373     1.0000     0.0627     0.9982     0.9982    -0.0000
 81   0     0.9145     1.0000     0.0855     0.9757     0.9757     0.0000
 82   0     0.9009     1.0000     0.0991     0.9788     0.9788    -0.0000
 83   0     0.9391     1.0000     0.0609     0.9876     0.9876    -0.0000
 84   0     0.9109     1.0000     0.0891     0.9764     0.9764    -0.0000
 85   0     0.9222     1.0000     0.0778     0.9783     0.9783    -0.0000
 86   0     0.9166     1.0000     0.0834     0.9764     0.9764     0.0000
 87   0     0.9183     1.0000     0.0817     0.9803     0.9803     0.0000
 88   0     0.9548     1.0000     0.0452     0.9896     0.9896    -0.0000
 89   0     0.9461     1.0000     0.0539     0.9767     0.9767    -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                0.987746
                0             6               4            6                0.952158
                0             6               5            1                0.990333
                0             6               6            1                0.995843
                1             6               2            6                0.977473
                1             6               7            1                0.983884
                1             6               8            1                1.000752
                2             6               3            6                0.947736
                2             6               9            1                1.011450
                2             6              10            1                0.991141
                3             6               4            6                0.968038
                3             6              11            1                1.006939
                3             6              12            1                0.980026
                4             6              13            1                1.006890
                4             6              14            1                0.988755
               15             6              16            6                0.964541
               15             6              19            6                0.970893
               15             6              20            1                0.986726
               15             6              21            1                1.004202
               16             6              17            6                0.978274
               16             6              22            1                0.995336
               16             6              23            1                0.989254
               17             6              18            6                0.970878
               17             6              24            1                0.994787
               17             6              25            1                0.989018
               18             6              19            6                0.958551
               18             6              26            1                0.992890
               18             6              27            1                0.990284
               19             6              28            1                1.002082
               19             6              29            1                0.986564
               30             6              31            6                0.978629
               30             6              34            6                0.963541
               30             6              35            1                1.000096
               30             6              36            1                0.994267
               31             6              32            6                0.974767
               31             6              37            1                0.998687
               31             6              38            1                0.990672
               32             6              33            6                0.942890
               32             6              39            1                1.005850
               32             6              40            1                0.987853
               33             6              34            6                0.953356
               33             6              41            1                0.994563
               33             6              42            1                0.994285
               34             6              43            1                0.990804
               34             6              44            1                0.996144
               45             6              46            6                0.977870
               45             6              49            6                0.978163
               45             6              50            1                0.994791
               45             6              51            1                0.995819
               46             6              47            6                0.975011
               46             6              52            1                0.992450
               46             6              53            1                0.994776
               47             6              48            6                0.971611
               47             6              54            1                0.989560
               47             6              55            1                0.992017
               48             6              49            6                0.970021
               48             6              56            1                0.993298
               48             6              57            1                0.990586
               49             6              58            1                0.993911
               49             6              59            1                0.985272
               60             6              61            6                0.942462
               60             6              64            6                0.967727
               60             6              65            1                0.996889
               60             6              66            1                0.998561
               61             6              62            6                0.974775
               61             6              67            1                0.992415
               61             6              68            1                1.003702
               62             6              63            6                0.979515
               62             6              69            1                0.992080
               62             6              70            1                1.000701
               63             6              64            6                0.979036
               63             6              71            1                0.993188
               63             6              72            1                0.991213
               64             6              73            1                0.993092
               64             6              74            1                0.989157
               75             6              76            6                0.964676
               75             6              79            6                0.969827
               75             6              80            1                1.005097
               75             6              81            1                0.992411
               76             6              77            6                0.971955
               76             6              82            1                0.990394
               76             6              83            1                1.010069
               77             6              78            6                0.981156
               77             6              84            1                0.992685
               77             6              85            1                1.000007
               78             6              79            6                0.928903
               78             6              86            1                0.995766
               78             6              87            1                0.998988
               79             6              88            1                1.006422
               79             6              89            1                0.989772
# -----------------------------------------------------------
$ 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     6.2125     6.0000    -0.2125     4.0173     3.6853     0.3320
  1   0     6.1986     6.0000    -0.1986     4.0585     3.7354     0.3231
  2   0     6.1049     6.0000    -0.1049     3.9755     3.6539     0.3216
  3   0     6.2399     6.0000    -0.2399     4.0238     3.6896     0.3342
  4   0     6.0893     6.0000    -0.0893     3.9611     3.6329     0.3282
  5   0     0.9210     1.0000     0.0790     0.9809     0.9278     0.0531
  6   0     0.9024     1.0000     0.0976     0.9812     0.9292     0.0520
  7   0     0.9005     1.0000     0.0995     0.9816     0.9297     0.0519
  8   0     0.9168     1.0000     0.0832     0.9877     0.9363     0.0514
  9   0     0.9418     1.0000     0.0582     1.0083     0.9537     0.0546
 10   0     0.8984     1.0000     0.1016     0.9842     0.9334     0.0508
 11   0     0.9061     1.0000     0.0939     0.9750     0.9224     0.0526
 12   0     0.9002     1.0000     0.0998     0.9814     0.9310     0.0504
 13   0     0.9667     1.0000     0.0333     1.0014     0.9433     0.0581
 14   0     0.8929     1.0000     0.1071     0.9812     0.9312     0.0500
 15   0     6.2185     6.0000    -0.2185     4.0243     3.7023     0.3220
 16   0     6.1068     6.0000    -0.1068     3.9760     3.6682     0.3078
 17   0     6.2075     6.0000    -0.2075     4.0309     3.7074     0.3235
 18   0     6.1643     6.0000    -0.1643     3.9912     3.6706     0.3206
 19   0     6.1304     6.0000    -0.1304     3.9901     3.6691     0.3210
 20   0     0.9020     1.0000     0.0980     0.9820     0.9299     0.0521
 21   0     0.9289     1.0000     0.0711     0.9814     0.9282     0.0532
 22   0     0.9238     1.0000     0.0762     0.9895     0.9401     0.0494
 23   0     0.9254     1.0000     0.0746     0.9866     0.9346     0.0520
 24   0     0.9228     1.0000     0.0772     0.9829     0.9278     0.0551
 25   0     0.9049     1.0000     0.0951     0.9836     0.9316     0.0520
 26   0     0.9085     1.0000     0.0915     0.9868     0.9362     0.0506
 27   0     0.9120     1.0000     0.0880     0.9835     0.9326     0.0509
 28   0     0.9424     1.0000     0.0576     0.9919     0.9368     0.0551
 29   0     0.9019     1.0000     0.0981     0.9833     0.9327     0.0506
 30   0     6.1151     6.0000    -0.1151     3.9921     3.6851     0.3070
 31   0     6.1976     6.0000    -0.1976     4.0392     3.7165     0.3227
 32   0     6.1506     6.0000    -0.1506     3.9915     3.6664     0.3251
 33   0     6.2102     6.0000    -0.2102     3.9396     3.6090     0.3306
 34   0     6.2026     6.0000    -0.2026     3.9827     3.6526     0.3301
 35   0     0.9119     1.0000     0.0881     0.9874     0.9394     0.0480
 36   0     0.9132     1.0000     0.0868     0.9849     0.9352     0.0497
 37   0     0.9087     1.0000     0.0913     0.9840     0.9322     0.0518
 38   0     0.9040     1.0000     0.0960     0.9859     0.9350     0.0509
 39   0     0.9160     1.0000     0.0840     0.9828     0.9299     0.0529
 40   0     0.8998     1.0000     0.1002     0.9824     0.9310     0.0514
 41   0     0.9320     1.0000     0.0680     0.9887     0.9333     0.0554
 42   0     0.9077     1.0000     0.0923     0.9846     0.9338     0.0508
 43   0     0.9080     1.0000     0.0920     0.9873     0.9361     0.0512
 44   0     0.9162     1.0000     0.0838     0.9811     0.9267     0.0544
 45   0     6.1934     6.0000    -0.1934     4.0380     3.7155     0.3225
 46   0     6.1317     6.0000    -0.1317     4.0000     3.6812     0.3188
 47   0     6.2209     6.0000    -0.2209     4.0273     3.6995     0.3278
 48   0     6.1390     6.0000    -0.1390     3.9867     3.6664     0.3203
 49   0     6.1417     6.0000    -0.1417     3.9948     3.6749     0.3199
 50   0     0.9059     1.0000     0.0941     0.9863     0.9358     0.0505
 51   0     0.9165     1.0000     0.0835     0.9826     0.9288     0.0538
 52   0     0.9116     1.0000     0.0884     0.9878     0.9368     0.0510
 53   0     0.9130     1.0000     0.0870     0.9878     0.9367     0.0511
 54   0     0.9018     1.0000     0.0982     0.9850     0.9328     0.0522
 55   0     0.9132     1.0000     0.0868     0.9849     0.9323     0.0526
 56   0     0.9320     1.0000     0.0680     0.9921     0.9387     0.0534
 57   0     0.9507     1.0000     0.0493     1.0013     0.9472     0.0541
 58   0     0.9280     1.0000     0.0720     0.9884     0.9325     0.0559
 59   0     0.9037     1.0000     0.0963     0.9825     0.9321     0.0504
 60   0     6.2598     6.0000    -0.2598     4.0011     3.6674     0.3337
 61   0     6.1292     6.0000    -0.1292     3.9645     3.6515     0.3130
 62   0     6.1992     6.0000    -0.1992     4.0312     3.7127     0.3185
 63   0     6.0974     6.0000    -0.0974     4.0284     3.7189     0.3095
 64   0     6.1250     6.0000    -0.1250     3.9783     3.6540     0.3243
 65   0     0.8993     1.0000     0.1007     0.9752     0.9258     0.0494
 66   0     0.9269     1.0000     0.0731     0.9762     0.9211     0.0551
 67   0     0.9091     1.0000     0.0909     0.9863     0.9354     0.0509
 68   0     0.9253     1.0000     0.0747     0.9886     0.9373     0.0513
 69   0     0.9236     1.0000     0.0764     0.9825     0.9269     0.0556
 70   0     0.9111     1.0000     0.0889     0.9881     0.9390     0.0491
 71   0     0.9171     1.0000     0.0829     0.9976     0.9499     0.0477
 72   0     0.9155     1.0000     0.0845     0.9854     0.9344     0.0510
 73   0     0.9142     1.0000     0.0858     0.9853     0.9328     0.0525
 74   0     0.9511     1.0000     0.0489     1.0051     0.9497     0.0554
 75   0     6.1508     6.0000    -0.1508     4.0139     3.6903     0.3236
 76   0     6.1912     6.0000    -0.1912     4.0240     3.7017     0.3223
 77   0     6.1405     6.0000    -0.1405     4.0049     3.6872     0.3177
 78   0     6.1992     6.0000    -0.1992     4.0152     3.6862     0.3290
 79   0     6.1055     6.0000    -0.1055     3.9256     3.5936     0.3320
 80   0     0.9337     1.0000     0.0663     1.0093     0.9549     0.0544
 81   0     0.9103     1.0000     0.0897     0.9850     0.9340     0.0510
 82   0     0.8969     1.0000     0.1031     0.9873     0.9389     0.0484
 83   0     0.9354     1.0000     0.0646     0.9978     0.9451     0.0527
 84   0     0.9071     1.0000     0.0929     0.9857     0.9336     0.0521
 85   0     0.9185     1.0000     0.0815     0.9881     0.9355     0.0526
 86   0     0.9127     1.0000     0.0873     0.9858     0.9318     0.0540
 87   0     0.9144     1.0000     0.0856     0.9894     0.9364     0.0530
 88   0     0.9495     1.0000     0.0505     0.9991     0.9466     0.0525
 89   0     0.9422     1.0000     0.0578     0.9879     0.9309     0.0570
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.921684
                0             6               4            6                0.891383
                0             6               5            1                0.947782
                0             6               6            1                0.953929
                1             6               2            6                0.916086
                1             6               7            1                0.942935
                1             6               8            1                0.959218
                2             6               3            6                0.882295
                2             6               9            1                0.967687
                2             6              10            1                0.950375
                3             6               4            6                0.901825
                3             6              11            1                0.963749
                3             6              12            1                0.940369
                4             6              13            1                0.960198
                4             6              14            1                0.948005
               15             6              16            6                0.904541
               15             6              19            6                0.907647
               15             6              20            1                0.945318
               15             6              21            1                0.961949
               16             6              17            6                0.916070
               16             6              22            1                0.956514
               16             6              23            1                0.948779
               17             6              18            6                0.908565
               17             6              24            1                0.950834
               17             6              25            1                0.947647
               18             6              19            6                0.893975
               18             6              26            1                0.952834
               18             6              27            1                0.950038
               19             6              28            1                0.959380
               19             6              29            1                0.946256
               30             6              31            6                0.916878
               30             6              34            6                0.900477
               30             6              35            1                0.962292
               30             6              36            1                0.955269
               31             6              32            6                0.911111
               31             6              37            1                0.956930
               31             6              38            1                0.950312
               32             6              33            6                0.879303
               32             6              39            1                0.962689
               32             6              40            1                0.946866
               33             6              34            6                0.889147
               33             6              41            1                0.951654
               33             6              42            1                0.953211
               34             6              43            1                0.950514
               34             6              44            1                0.952371
               45             6              46            6                0.912813
               45             6              49            6                0.916687
               45             6              50            1                0.954626
               45             6              51            1                0.952583
               46             6              47            6                0.911830
               46             6              52            1                0.951901
               46             6              53            1                0.954314
               47             6              48            6                0.907850
               47             6              54            1                0.947856
               47             6              55            1                0.949984
               48             6              49            6                0.907709
               48             6              56            1                0.950690
               48             6              57            1                0.949373
               49             6              58            1                0.948829
               49             6              59            1                0.945362
               60             6              61            6                0.879901
               60             6              64            6                0.902300
               60             6              65            1                0.957152
               60             6              66            1                0.954349
               61             6              62            6                0.914300
               61             6              67            1                0.951946
               61             6              68            1                0.963262
               62             6              63            6                0.917131
               62             6              69            1                0.947845
               62             6              70            1                0.961920
               63             6              64            6                0.917074
               63             6              71            1                0.955880
               63             6              72            1                0.950848
               64             6              73            1                0.950559
               64             6              74            1                0.946344
               75             6              76            6                0.900406
               75             6              79            6                0.904800
               75             6              80            1                0.962957
               75             6              81            1                0.951434
               76             6              77            6                0.909304
               76             6              82            1                0.951891
               76             6              83            1                0.968451
               77             6              78            6                0.917777
               77             6              84            1                0.951339
               77             6              85            1                0.958246
               78             6              79            6                0.866579
               78             6              86            1                0.952342
               78             6              87            1                0.956415
               79             6              88            1                0.963767
               79             6              89            1                0.944379
# -----------------------------------------------------------
$ 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     6.2601     6.0000    -0.2601     4.0115     3.6843     0.3272
  1   0     6.2333     6.0000    -0.2333     4.0373     3.7187     0.3186
  2   0     6.1735     6.0000    -0.1735     3.9848     3.6674     0.3174
  3   0     6.2851     6.0000    -0.2851     4.0046     3.6748     0.3298
  4   0     6.1566     6.0000    -0.1566     3.9532     3.6294     0.3238
  5   0     0.8974     1.0000     0.1026     0.9729     0.9210     0.0519
  6   0     0.8788     1.0000     0.1212     0.9753     0.9245     0.0508
  7   0     0.8807     1.0000     0.1193     0.9769     0.9261     0.0508
  8   0     0.8902     1.0000     0.1098     0.9764     0.9262     0.0502
  9   0     0.9057     1.0000     0.0943     0.9933     0.9402     0.0531
 10   0     0.8777     1.0000     0.1223     0.9763     0.9265     0.0498
 11   0     0.8762     1.0000     0.1238     0.9668     0.9157     0.0511
 12   0     0.8804     1.0000     0.1196     0.9746     0.9252     0.0494
 13   0     0.9293     1.0000     0.0707     0.9928     0.9366     0.0562
 14   0     0.8670     1.0000     0.1330     0.9729     0.9242     0.0487
 15   0     6.2600     6.0000    -0.2600     3.9999     3.6822     0.3177
 16   0     6.1654     6.0000    -0.1654     3.9590     3.6550     0.3040
 17   0     6.2469     6.0000    -0.2469     4.0091     3.6899     0.3192
 18   0     6.2177     6.0000    -0.2177     3.9810     3.6643     0.3167
 19   0     6.1830     6.0000    -0.1830     3.9802     3.6631     0.3171
 20   0     0.8786     1.0000     0.1214     0.9737     0.9226     0.0511
 21   0     0.9004     1.0000     0.0996     0.9737     0.9217     0.0520
 22   0     0.8973     1.0000     0.1027     0.9825     0.9342     0.0483
 23   0     0.9005     1.0000     0.0995     0.9787     0.9277     0.0510
 24   0     0.8975     1.0000     0.1025     0.9761     0.9221     0.0540
 25   0     0.8820     1.0000     0.1180     0.9755     0.9245     0.0510
 26   0     0.8828     1.0000     0.1172     0.9787     0.9293     0.0494
 27   0     0.8876     1.0000     0.1124     0.9744     0.9245     0.0499
 28   0     0.9190     1.0000     0.0810     0.9898     0.9360     0.0538
 29   0     0.8817     1.0000     0.1183     0.9765     0.9268     0.0497
 30   0     6.1743     6.0000    -0.1743     3.9749     3.6715     0.3034
 31   0     6.2421     6.0000    -0.2421     4.0191     3.7006     0.3185
 32   0     6.2014     6.0000    -0.2014     3.9714     3.6505     0.3209
 33   0     6.2652     6.0000    -0.2652     3.9370     3.6111     0.3259
 34   0     6.2491     6.0000    -0.2491     3.9638     3.6383     0.3255
 35   0     0.8870     1.0000     0.1130     0.9791     0.9321     0.0470
 36   0     0.8873     1.0000     0.1127     0.9788     0.9302     0.0486
 37   0     0.8833     1.0000     0.1167     0.9767     0.9261     0.0506
 38   0     0.8824     1.0000     0.1176     0.9778     0.9279     0.0499
 39   0     0.8874     1.0000     0.1126     0.9776     0.9260     0.0516
 40   0     0.8796     1.0000     0.1204     0.9771     0.9267     0.0504
 41   0     0.9030     1.0000     0.0970     0.9880     0.9341     0.0539
 42   0     0.8831     1.0000     0.1169     0.9765     0.9269     0.0496
 43   0     0.8811     1.0000     0.1189     0.9817     0.9318     0.0499
 44   0     0.8902     1.0000     0.1098     0.9716     0.9183     0.0533
 45   0     6.2392     6.0000    -0.2392     4.0182     3.6999     0.3183
 46   0     6.1872     6.0000    -0.1872     3.9922     3.6771     0.3151
 47   0     6.2565     6.0000    -0.2565     4.0116     3.6883     0.3233
 48   0     6.2102     6.0000    -0.2102     3.9797     3.6637     0.3160
 49   0     6.1927     6.0000    -0.1927     3.9776     3.6620     0.3156
 50   0     0.8820     1.0000     0.1180     0.9785     0.9290     0.0495
 51   0     0.8931     1.0000     0.1069     0.9745     0.9217     0.0528
 52   0     0.8889     1.0000     0.1111     0.9793     0.9292     0.0501
 53   0     0.8888     1.0000     0.1112     0.9791     0.9291     0.0500
 54   0     0.8787     1.0000     0.1213     0.9764     0.9252     0.0512
 55   0     0.8893     1.0000     0.1107     0.9767     0.9251     0.0516
 56   0     0.9051     1.0000     0.0949     0.9833     0.9311     0.0522
 57   0     0.9108     1.0000     0.0892     0.9924     0.9399     0.0525
 58   0     0.8992     1.0000     0.1008     0.9793     0.9247     0.0546
 59   0     0.8812     1.0000     0.1188     0.9783     0.9289     0.0494
 60   0     6.3012     6.0000    -0.3012     3.9789     3.6497     0.3292
 61   0     6.1818     6.0000    -0.1818     3.9522     3.6431     0.3091
 62   0     6.2482     6.0000    -0.2482     4.0119     3.6976     0.3143
 63   0     6.1592     6.0000    -0.1592     4.0159     3.7101     0.3058
 64   0     6.1935     6.0000    -0.1935     3.9852     3.6653     0.3199
 65   0     0.8716     1.0000     0.1284     0.9664     0.9183     0.0481
 66   0     0.8983     1.0000     0.1017     0.9680     0.9142     0.0538
 67   0     0.8853     1.0000     0.1147     0.9777     0.9278     0.0499
 68   0     0.8986     1.0000     0.1014     0.9798     0.9295     0.0503
 69   0     0.8975     1.0000     0.1025     0.9738     0.9192     0.0546
 70   0     0.8842     1.0000     0.1158     0.9778     0.9299     0.0479
 71   0     0.8917     1.0000     0.1083     0.9881     0.9414     0.0467
 72   0     0.8929     1.0000     0.1071     0.9788     0.9287     0.0501
 73   0     0.8912     1.0000     0.1088     0.9763     0.9248     0.0515
 74   0     0.9055     1.0000     0.0945     0.9916     0.9378     0.0538
 75   0     6.1963     6.0000    -0.1963     3.9753     3.6562     0.3191
 76   0     6.2419     6.0000    -0.2419     4.0024     3.6842     0.3182
 77   0     6.1935     6.0000    -0.1935     3.9886     3.6750     0.3136
 78   0     6.2375     6.0000    -0.2375     3.9857     3.6612     0.3245
 79   0     6.1935     6.0000    -0.1935     3.9323     3.6048     0.3275
 80   0     0.9006     1.0000     0.0994     1.0061     0.9532     0.0529
 81   0     0.8880     1.0000     0.1120     0.9790     0.9291     0.0499
 82   0     0.8751     1.0000     0.1249     0.9782     0.9307     0.0475
 83   0     0.9089     1.0000     0.0911     0.9927     0.9412     0.0515
 84   0     0.8841     1.0000     0.1159     0.9772     0.9261     0.0511
 85   0     0.8921     1.0000     0.1079     0.9810     0.9295     0.0515
 86   0     0.8900     1.0000     0.1100     0.9798     0.9270     0.0528
 87   0     0.8887     1.0000     0.1113     0.9831     0.9314     0.0517
 88   0     0.9041     1.0000     0.0959     0.9805     0.9299     0.0506
 89   0     0.9133     1.0000     0.0867     0.9847     0.9293     0.0554
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.926934
                0             6               4            6                0.910218
                0             6               5            1                0.929370
                0             6               6            1                0.936180
                1             6               2            6                0.937385
                1             6               7            1                0.926974
                1             6               8            1                0.942882
                2             6               3            6                0.894807
                2             6               9            1                0.946077
                2             6              10            1                0.936650
                3             6               4            6                0.905432
                3             6              11            1                0.947605
                3             6              12            1                0.926704
                4             6              13            1                0.939554
                4             6              14            1                0.932435
               15             6              16            6                0.910571
               15             6              19            6                0.915550
               15             6              20            1                0.929800
               15             6              21            1                0.950774
               16             6              17            6                0.925133
               16             6              22            1                0.947287
               16             6              23            1                0.934762
               17             6              18            6                0.917554
               17             6              24            1                0.937289
               17             6              25            1                0.934134
               18             6              19            6                0.904184
               18             6              26            1                0.940965
               18             6              27            1                0.937192
               19             6              28            1                0.947679
               19             6              29            1                0.933988
               30             6              31            6                0.924648
               30             6              34            6                0.907547
               30             6              35            1                0.948886
               30             6              36            1                0.943588
               31             6              32            6                0.918947
               31             6              37            1                0.943356
               31             6              38            1                0.935330
               32             6              33            6                0.884405
               32             6              39            1                0.951427
               32             6              40            1                0.931695
               33             6              34            6                0.897646
               33             6              41            1                0.941245
               33             6              42            1                0.939264
               34             6              43            1                0.935527
               34             6              44            1                0.936773
               45             6              46            6                0.922235
               45             6              49            6                0.925738
               45             6              50            1                0.941777
               45             6              51            1                0.935918
               46             6              47            6                0.924403
               46             6              52            1                0.938146
               46             6              53            1                0.941462
               47             6              48            6                0.916744
               47             6              54            1                0.933128
               47             6              55            1                0.936228
               48             6              49            6                0.917539
               48             6              56            1                0.937808
               48             6              57            1                0.935188
               49             6              58            1                0.933745
               49             6              59            1                0.932806
               60             6              61            6                0.888054
               60             6              64            6                0.906692
               60             6              65            1                0.945253
               60             6              66            1                0.938877
               61             6              62            6                0.925623
               61             6              67            1                0.936701
               61             6              68            1                0.949412
               62             6              63            6                0.925731
               62             6              69            1                0.931609
               62             6              70            1                0.948395
               63             6              64            6                0.928776
               63             6              71            1                0.945951
               63             6              72            1                0.935389
               64             6              73            1                0.938289
               64             6              74            1                0.933733
               75             6              76            6                0.901724
               75             6              79            6                0.904766
               75             6              80            1                0.947740
               75             6              81            1                0.940140
               76             6              77            6                0.916501
               76             6              82            1                0.938151
               76             6              83            1                0.953973
               77             6              78            6                0.927704
               77             6              84            1                0.934793
               77             6              85            1                0.945712
               78             6              79            6                0.878159
               78             6              86            1                0.932555
               78             6              87            1                0.941014
               79             6              88            1                0.947712
               79             6              89            1                0.934528
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2146517478
        Correlation Energy:       -5.0779959870
        Total MP2 Energy:      -1176.2926477348
# -----------------------------------------------------------
$ 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) :        0.0353620821
        Electronic Contribution:
                  0    
      0       0.436412
      1      -1.129345
      2       0.001655
        Nuclear Contribution:
                  0    
      0      -0.441836
      1       1.116641
      2      -0.000000
        Total Dipole moment:
                  0    
      0      -0.005424
      1      -0.012704
      2       0.001655
# -----------------------------------------------------------
$ 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) :        0.0323346853
        Electronic Contribution:
                  0    
      0       0.434797
      1      -1.127178
      2       0.001119
        Nuclear Contribution:
                  0    
      0      -0.441836
      1       1.116641
      2      -0.000000
        Total Dipole moment:
                  0    
      0      -0.007040
      1      -0.010536
      2       0.001119
# -----------------------------------------------------------
$ 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) :        0.0832483710
        Electronic Contribution:
                  0    
      0       0.417701
      1      -1.096696
      2      -0.009609
        Nuclear Contribution:
                  0    
      0      -0.441836
      1       1.116641
      2      -0.000000
        Total Dipole moment:
                  0    
      0      -0.024135
      1       0.019945
      2      -0.009609
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     19.040000000000   21.760000000000   17.200000000000
               1 C     20.570000000000   22.070000000000   16.980000000000
               2 C     20.910000000000   23.450000000000   17.510000000000
               3 C     19.570000000000   24.030000000000   18.090000000000
               4 C     18.430000000000   23.110000000000   17.500000000000
               5 H     18.910000000000   21.130000000000   18.100000000000
               6 H     18.510000000000   21.240000000000   16.390000000000
               7 H     20.940000000000   21.890000000000   15.970000000000
               8 H     21.040000000000   21.350000000000   17.620000000000
               9 H     21.110000000000   24.230000000000   16.760000000000
              10 H     21.760000000000   23.480000000000   18.200000000000
              11 H     19.380000000000   25.010000000000   17.650000000000
              12 H     19.580000000000   24.100000000000   19.170000000000
              13 H     18.140000000000   23.480000000000   16.480000000000
              14 H     17.510000000000   23.050000000000   18.060000000000
              15 C     19.040000000000   17.780000000000   18.610000000000
              16 C     18.160000000000   17.160000000000   17.580000000000
              17 C     18.640000000000   17.530000000000   16.170000000000
              18 C     20.050000000000   18.140000000000   16.310000000000
              19 C     20.260000000000   18.390000000000   17.860000000000
              20 H     19.170000000000   17.130000000000   19.500000000000
              21 H     18.440000000000   18.560000000000   19.060000000000
              22 H     17.200000000000   17.540000000000   17.760000000000
              23 H     18.230000000000   16.080000000000   17.680000000000
              24 H     17.940000000000   18.310000000000   15.750000000000
              25 H     18.580000000000   16.680000000000   15.460000000000
              26 H     20.190000000000   18.990000000000   15.680000000000
              27 H     20.820000000000   17.470000000000   15.970000000000
              28 H     20.240000000000   19.440000000000   18.060000000000
              29 H     21.220000000000   18.050000000000   18.250000000000
              30 C     18.200000000000   22.160000000000   11.830000000000
              31 C     18.830000000000   23.240000000000   10.970000000000
              32 C     19.920000000000   23.930000000000   11.860000000000
              33 C     19.950000000000   23.230000000000   13.240000000000
              34 C     19.020000000000   21.980000000000   13.130000000000
              35 H     18.200000000000   21.210000000000   11.430000000000
              36 H     17.220000000000   22.470000000000   12.040000000000
              37 H     18.060000000000   23.950000000000   10.640000000000
              38 H     19.140000000000   22.740000000000   10.060000000000
              39 H     19.570000000000   24.940000000000   12.090000000000
              40 H     20.950000000000   23.980000000000   11.480000000000
              41 H     19.620000000000   24.010000000000   13.920000000000
              42 H     20.940000000000   22.870000000000   13.500000000000
              43 H     18.550000000000   21.750000000000   14.050000000000
              44 H     19.670000000000   21.070000000000   13.050000000000
              45 C     23.380000000000   27.910000000000   13.380000000000
              46 C     24.030000000000   27.380000000000   14.720000000000
              47 C     23.120000000000   26.260000000000   15.300000000000
              48 C     21.810000000000   26.420000000000   14.470000000000
              49 C     22.150000000000   27.070000000000   13.130000000000
              50 H     24.060000000000   27.920000000000   12.540000000000
              51 H     23.000000000000   28.960000000000   13.460000000000
              52 H     24.130000000000   28.200000000000   15.420000000000
              53 H     25.010000000000   27.000000000000   14.480000000000
              54 H     22.990000000000   26.350000000000   16.400000000000
              55 H     23.590000000000   25.270000000000   15.140000000000
              56 H     21.150000000000   27.070000000000   15.050000000000
              57 H     21.270000000000   25.520000000000   14.290000000000
              58 H     21.280000000000   27.780000000000   12.940000000000
              59 H     22.210000000000   26.360000000000   12.320000000000
              60 C     16.490000000000   26.990000000000   18.790000000000
              61 C     15.960000000000   27.840000000000   19.960000000000
              62 C     15.380000000000   26.850000000000   20.940000000000
              63 C     15.790000000000   25.420000000000   20.580000000000
              64 C     16.220000000000   25.470000000000   19.100000000000
              65 H     17.450000000000   27.340000000000   18.580000000000
              66 H     16.000000000000   27.260000000000   17.830000000000
              67 H     15.370000000000   28.600000000000   19.480000000000
              68 H     16.800000000000   28.360000000000   20.380000000000
              69 H     14.250000000000   26.990000000000   20.960000000000
              70 H     15.610000000000   27.120000000000   21.920000000000
              71 H     14.940000000000   24.870000000000   20.760000000000
              72 H     16.640000000000   25.170000000000   21.210000000000
              73 H     15.340000000000   25.210000000000   18.480000000000
              74 H     17.120000000000   24.890000000000   18.830000000000
              75 C     16.980000000000   25.050000000000   14.480000000000
              76 C     16.830000000000   25.960000000000   13.200000000000
              77 C     17.320000000000   27.340000000000   13.660000000000
              78 C     17.730000000000   27.330000000000   15.160000000000
              79 C     17.630000000000   25.870000000000   15.620000000000
              80 H     17.590000000000   24.160000000000   14.350000000000
              81 H     15.970000000000   24.850000000000   14.790000000000
              82 H     15.900000000000   25.980000000000   12.700000000000
              83 H     17.460000000000   25.670000000000   12.400000000000
              84 H     16.610000000000   28.150000000000   13.430000000000
              85 H     18.220000000000   27.570000000000   13.110000000000
              86 H     17.070000000000   27.880000000000   15.870000000000
              87 H     18.740000000000   27.720000000000   15.370000000000
              88 H     17.020000000000   25.740000000000   16.520000000000
              89 H     18.650000000000   25.470000000000   15.820000000000
