-------------------------------------------------------------
----------------------- !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:    -1171.2261517307
# -----------------------------------------------------------
$ 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     6.0925     6.0000    -0.0925     3.8915     3.8915     0.0000
  1   0     6.2043     6.0000    -0.2043     3.9197     3.9197    -0.0000
  2   0     6.1488     6.0000    -0.1488     3.9381     3.9381     0.0000
  3   0     6.1047     6.0000    -0.1047     3.8758     3.8758     0.0000
  4   0     6.2577     6.0000    -0.2577     3.9230     3.9230     0.0000
  5   0     0.9030     1.0000     0.0970     0.9728     0.9728    -0.0000
  6   0     0.9579     1.0000     0.0421     0.9913     0.9913     0.0000
  7   0     0.9095     1.0000     0.0905     0.9672     0.9672    -0.0000
  8   0     0.9164     1.0000     0.0836     0.9725     0.9725     0.0000
  9   0     0.9082     1.0000     0.0918     0.9734     0.9734     0.0000
 10   0     0.9162     1.0000     0.0838     0.9753     0.9753     0.0000
 11   0     0.9582     1.0000     0.0418     0.9939     0.9939     0.0000
 12   0     0.9099     1.0000     0.0901     0.9732     0.9732     0.0000
 13   0     0.9101     1.0000     0.0899     0.9621     0.9621     0.0000
 14   0     0.9208     1.0000     0.0792     0.9730     0.9730     0.0000
 15   0     6.2023     6.0000    -0.2023     3.8710     3.8710     0.0000
 16   0     6.1458     6.0000    -0.1458     3.9112     3.9112     0.0000
 17   0     6.1472     6.0000    -0.1472     3.9026     3.9026    -0.0000
 18   0     6.1507     6.0000    -0.1507     3.8949     3.8949    -0.0000
 19   0     6.1608     6.0000    -0.1608     3.8936     3.8936     0.0000
 20   0     0.9221     1.0000     0.0779     0.9711     0.9711    -0.0000
 21   0     0.9237     1.0000     0.0763     0.9746     0.9746     0.0000
 22   0     0.9117     1.0000     0.0883     0.9818     0.9818     0.0000
 23   0     0.9179     1.0000     0.0821     0.9749     0.9749     0.0000
 24   0     0.9226     1.0000     0.0774     0.9770     0.9770    -0.0000
 25   0     0.9241     1.0000     0.0759     0.9798     0.9798     0.0000
 26   0     0.9164     1.0000     0.0836     0.9763     0.9763     0.0000
 27   0     0.9233     1.0000     0.0767     0.9767     0.9767    -0.0000
 28   0     0.9180     1.0000     0.0820     0.9759     0.9759     0.0000
 29   0     0.9090     1.0000     0.0910     0.9711     0.9711     0.0000
 30   0     6.1272     6.0000    -0.1272     3.8929     3.8929     0.0000
 31   0     6.1799     6.0000    -0.1799     3.9017     3.9017     0.0000
 32   0     6.1583     6.0000    -0.1583     3.9044     3.9044    -0.0000
 33   0     6.1457     6.0000    -0.1457     3.8945     3.8945     0.0000
 34   0     6.1745     6.0000    -0.1745     3.9036     3.9036    -0.0000
 35   0     0.9472     1.0000     0.0528     0.9990     0.9990     0.0000
 36   0     0.9126     1.0000     0.0874     0.9759     0.9759     0.0000
 37   0     0.9129     1.0000     0.0871     0.9752     0.9752     0.0000
 38   0     0.9138     1.0000     0.0862     0.9617     0.9617     0.0000
 39   0     0.9153     1.0000     0.0847     0.9751     0.9751    -0.0000
 40   0     0.9222     1.0000     0.0778     0.9788     0.9788    -0.0000
 41   0     0.9043     1.0000     0.0957     0.9730     0.9730     0.0000
 42   0     0.9314     1.0000     0.0686     0.9757     0.9757     0.0000
 43   0     0.9163     1.0000     0.0837     0.9810     0.9810    -0.0000
 44   0     0.9381     1.0000     0.0619     0.9771     0.9771     0.0000
 45   0     6.1345     6.0000    -0.1345     3.9122     3.9122    -0.0000
 46   0     6.1477     6.0000    -0.1477     3.8982     3.8982     0.0000
 47   0     6.1554     6.0000    -0.1554     3.9065     3.9065     0.0000
 48   0     6.1883     6.0000    -0.1883     3.8916     3.8916     0.0000
 49   0     6.1810     6.0000    -0.1810     3.9259     3.9259    -0.0000
 50   0     0.9346     1.0000     0.0654     0.9787     0.9787     0.0000
 51   0     0.9050     1.0000     0.0950     0.9775     0.9775    -0.0000
 52   0     0.9263     1.0000     0.0737     0.9776     0.9776     0.0000
 53   0     0.9141     1.0000     0.0859     0.9795     0.9795    -0.0000
 54   0     0.9292     1.0000     0.0708     0.9727     0.9727     0.0000
 55   0     0.9338     1.0000     0.0662     0.9922     0.9922     0.0000
 56   0     0.9168     1.0000     0.0832     0.9785     0.9785    -0.0000
 57   0     0.9029     1.0000     0.0971     0.9746     0.9746    -0.0000
 58   0     0.9090     1.0000     0.0910     0.9759     0.9759    -0.0000
 59   0     0.9191     1.0000     0.0809     0.9739     0.9739     0.0000
 60   0     6.1458     6.0000    -0.1458     3.8953     3.8953    -0.0000
 61   0     6.1772     6.0000    -0.1772     3.8884     3.8884    -0.0000
 62   0     6.1598     6.0000    -0.1598     3.8891     3.8891    -0.0000
 63   0     6.1545     6.0000    -0.1545     3.8985     3.8985     0.0000
 64   0     6.1766     6.0000    -0.1766     3.8907     3.8907     0.0000
 65   0     0.9157     1.0000     0.0843     0.9776     0.9776    -0.0000
 66   0     0.9160     1.0000     0.0840     0.9764     0.9764    -0.0000
 67   0     0.9174     1.0000     0.0826     0.9762     0.9762    -0.0000
 68   0     0.9255     1.0000     0.0745     0.9745     0.9745     0.0000
 69   0     0.9219     1.0000     0.0781     0.9774     0.9774    -0.0000
 70   0     0.9245     1.0000     0.0755     0.9816     0.9816     0.0000
 71   0     0.9152     1.0000     0.0848     0.9761     0.9761     0.0000
 72   0     0.9144     1.0000     0.0856     0.9772     0.9772    -0.0000
 73   0     0.9139     1.0000     0.0861     0.9750     0.9750     0.0000
 74   0     0.9218     1.0000     0.0782     0.9736     0.9736     0.0000
 75   0     6.1705     6.0000    -0.1705     3.8906     3.8906    -0.0000
 76   0     6.1708     6.0000    -0.1708     3.8929     3.8929    -0.0000
 77   0     6.1734     6.0000    -0.1734     3.8896     3.8896    -0.0000
 78   0     6.1682     6.0000    -0.1682     3.8464     3.8464    -0.0000
 79   0     6.1533     6.0000    -0.1533     3.8922     3.8922     0.0000
 80   0     0.9050     1.0000     0.0950     0.9773     0.9773    -0.0000
 81   0     0.9170     1.0000     0.0830     0.9776     0.9776     0.0000
 82   0     0.9028     1.0000     0.0972     0.9753     0.9753    -0.0000
 83   0     0.9309     1.0000     0.0691     0.9815     0.9815    -0.0000
 84   0     0.9183     1.0000     0.0817     0.9725     0.9725    -0.0000
 85   0     0.9067     1.0000     0.0933     0.9712     0.9712    -0.0000
 86   0     0.9181     1.0000     0.0819     0.9695     0.9695     0.0000
 87   0     0.9242     1.0000     0.0758     0.9695     0.9695    -0.0000
 88   0     0.9045     1.0000     0.0955     0.9678     0.9678     0.0000
 89   0     0.9248     1.0000     0.0752     0.9781     0.9781     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                0.982523
                0             6               4            6                0.972748
                0             6               5            1                0.993142
                0             6               6            1                0.996734
                1             6               2            6                0.987816
                1             6               7            1                0.988323
                1             6               8            1                0.997001
                2             6               3            6                0.970785
                2             6               9            1                0.999248
                2             6              10            1                0.996602
                3             6               4            6                0.974701
                3             6              11            1                1.000214
                3             6              12            1                1.008065
                4             6              13            1                0.977878
                4             6              14            1                1.004358
               15             6              16            6                0.965514
               15             6              19            6                0.957120
               15             6              20            1                0.998300
               15             6              21            1                0.993796
               16             6              17            6                0.986637
               16             6              22            1                0.983037
               16             6              23            1                0.988784
               17             6              18            6                0.967334
               17             6              24            1                0.986620
               17             6              25            1                0.999123
               18             6              19            6                0.976703
               18             6              26            1                0.982725
               18             6              27            1                0.994944
               19             6              28            1                0.991632
               19             6              29            1                0.988226
               30             6              31            6                0.975428
               30             6              34            6                0.971282
               30             6              35            1                1.007729
               30             6              36            1                0.985960
               31             6              32            6                0.969667
               31             6              37            1                0.987576
               31             6              38            1                0.996343
               32             6              33            6                0.974837
               32             6              39            1                0.987941
               32             6              40            1                0.992626
               33             6              34            6                0.974521
               33             6              41            1                0.983653
               33             6              42            1                0.999013
               34             6              43            1                0.989258
               34             6              44            1                0.986634
               45             6              46            6                0.980487
               45             6              49            6                0.980891
               45             6              50            1                0.996908
               45             6              51            1                0.986092
               46             6              47            6                0.974753
               46             6              52            1                0.989020
               46             6              53            1                0.987721
               47             6              48            6                0.971648
               47             6              54            1                0.982941
               47             6              55            1                1.004282
               48             6              49            6                0.978573
               48             6              56            1                0.989572
               48             6              57            1                0.984242
               49             6              58            1                0.992155
               49             6              59            1                0.993977
               60             6              61            6                0.974896
               60             6              64            6                0.970172
               60             6              65            1                0.989087
               60             6              66            1                0.986758
               61             6              62            6                0.965200
               61             6              67            1                0.992164
               61             6              68            1                0.994794
               62             6              63            6                0.966241
               62             6              69            1                0.994464
               62             6              70            1                0.992095
               63             6              64            6                0.972219
               63             6              71            1                0.992208
               63             6              72            1                0.990761
               64             6              73            1                0.988069
               64             6              74            1                0.995878
               75             6              76            6                0.964360
               75             6              79            6                0.969145
               75             6              80            1                0.994390
               75             6              81            1                0.992798
               76             6              77            6                0.971522
               76             6              82            1                0.993456
               76             6              83            1                0.994752
               77             6              78            6                0.954223
               77             6              84            1                0.990149
               77             6              85            1                0.992000
               78             6              79            6                0.958739
               78             6              86            1                0.990521
               78             6              87            1                0.992386
               79             6              88            1                0.983069
               79             6              89            1                0.994180
# -----------------------------------------------------------
$ 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     6.0995     6.0000    -0.0995     3.9967     3.6794     0.3173
  1   0     6.2134     6.0000    -0.2134     4.0358     3.7032     0.3326
  2   0     6.1573     6.0000    -0.1573     4.0465     3.7316     0.3149
  3   0     6.1119     6.0000    -0.1119     3.9824     3.6619     0.3205
  4   0     6.2658     6.0000    -0.2658     4.0430     3.7015     0.3415
  5   0     0.8987     1.0000     0.1013     0.9812     0.9337     0.0475
  6   0     0.9543     1.0000     0.0457     1.0028     0.9475     0.0553
  7   0     0.9054     1.0000     0.0946     0.9763     0.9227     0.0536
  8   0     0.9121     1.0000     0.0879     0.9819     0.9270     0.0549
  9   0     0.9042     1.0000     0.0958     0.9822     0.9316     0.0506
 10   0     0.9122     1.0000     0.0878     0.9842     0.9342     0.0500
 11   0     0.9550     1.0000     0.0450     1.0064     0.9474     0.0590
 12   0     0.9056     1.0000     0.0944     0.9821     0.9322     0.0499
 13   0     0.9068     1.0000     0.0932     0.9728     0.9186     0.0542
 14   0     0.9164     1.0000     0.0836     0.9822     0.9259     0.0563
 15   0     6.2100     6.0000    -0.2100     3.9849     3.6550     0.3299
 16   0     6.1535     6.0000    -0.1535     4.0186     3.6986     0.3200
 17   0     6.1548     6.0000    -0.1548     4.0088     3.6969     0.3119
 18   0     6.1585     6.0000    -0.1585     4.0032     3.6818     0.3214
 19   0     6.1690     6.0000    -0.1690     4.0031     3.6836     0.3195
 20   0     0.9179     1.0000     0.0821     0.9808     0.9265     0.0543
 21   0     0.9202     1.0000     0.0798     0.9849     0.9300     0.0549
 22   0     0.9078     1.0000     0.0922     0.9908     0.9409     0.0499
 23   0     0.9140     1.0000     0.0860     0.9843     0.9310     0.0533
 24   0     0.9189     1.0000     0.0811     0.9869     0.9356     0.0513
 25   0     0.9200     1.0000     0.0800     0.9892     0.9399     0.0493
 26   0     0.9126     1.0000     0.0874     0.9858     0.9315     0.0543
 27   0     0.9192     1.0000     0.0808     0.9864     0.9346     0.0518
 28   0     0.9143     1.0000     0.0857     0.9854     0.9336     0.0518
 29   0     0.9050     1.0000     0.0950     0.9800     0.9282     0.0518
 30   0     6.1361     6.0000    -0.1361     4.0031     3.6761     0.3270
 31   0     6.1880     6.0000    -0.1880     4.0132     3.6903     0.3229
 32   0     6.1665     6.0000    -0.1665     4.0140     3.6925     0.3215
 33   0     6.1532     6.0000    -0.1532     4.0029     3.6831     0.3198
 34   0     6.1817     6.0000    -0.1817     4.0135     3.6859     0.3276
 35   0     0.9432     1.0000     0.0568     1.0088     0.9547     0.0541
 36   0     0.9086     1.0000     0.0914     0.9850     0.9328     0.0522
 37   0     0.9086     1.0000     0.0914     0.9842     0.9332     0.0510
 38   0     0.9098     1.0000     0.0902     0.9712     0.9179     0.0533
 39   0     0.9114     1.0000     0.0886     0.9846     0.9342     0.0504
 40   0     0.9182     1.0000     0.0818     0.9882     0.9350     0.0532
 41   0     0.9000     1.0000     0.1000     0.9817     0.9320     0.0497
 42   0     0.9280     1.0000     0.0720     0.9862     0.9319     0.0543
 43   0     0.9122     1.0000     0.0878     0.9903     0.9394     0.0509
 44   0     0.9345     1.0000     0.0655     0.9882     0.9317     0.0565
 45   0     6.1422     6.0000    -0.1422     4.0182     3.7044     0.3138
 46   0     6.1559     6.0000    -0.1559     4.0074     3.6840     0.3234
 47   0     6.1631     6.0000    -0.1631     4.0176     3.6894     0.3282
 48   0     6.1961     6.0000    -0.1961     4.0055     3.6735     0.3320
 49   0     6.1889     6.0000    -0.1889     4.0355     3.7124     0.3231
 50   0     0.9306     1.0000     0.0694     0.9886     0.9361     0.0525
 51   0     0.9011     1.0000     0.0989     0.9863     0.9373     0.0490
 52   0     0.9224     1.0000     0.0776     0.9874     0.9347     0.0527
 53   0     0.9103     1.0000     0.0897     0.9887     0.9368     0.0519
 54   0     0.9250     1.0000     0.0750     0.9826     0.9285     0.0541
 55   0     0.9297     1.0000     0.0703     1.0020     0.9508     0.0512
 56   0     0.9128     1.0000     0.0872     0.9877     0.9348     0.0529
 57   0     0.8986     1.0000     0.1014     0.9830     0.9325     0.0505
 58   0     0.9053     1.0000     0.0947     0.9852     0.9351     0.0501
 59   0     0.9153     1.0000     0.0847     0.9834     0.9299     0.0535
 60   0     6.1533     6.0000    -0.1533     4.0019     3.6850     0.3169
 61   0     6.1849     6.0000    -0.1849     3.9986     3.6756     0.3230
 62   0     6.1677     6.0000    -0.1677     3.9983     3.6774     0.3209
 63   0     6.1618     6.0000    -0.1618     4.0049     3.6874     0.3175
 64   0     6.1843     6.0000    -0.1843     4.0011     3.6798     0.3213
 65   0     0.9118     1.0000     0.0882     0.9867     0.9347     0.0520
 66   0     0.9123     1.0000     0.0877     0.9858     0.9352     0.0506
 67   0     0.9134     1.0000     0.0866     0.9856     0.9335     0.0521
 68   0     0.9217     1.0000     0.0783     0.9843     0.9289     0.0554
 69   0     0.9181     1.0000     0.0819     0.9869     0.9351     0.0518
 70   0     0.9206     1.0000     0.0794     0.9911     0.9384     0.0527
 71   0     0.9116     1.0000     0.0884     0.9857     0.9345     0.0512
 72   0     0.9107     1.0000     0.0893     0.9864     0.9350     0.0514
 73   0     0.9101     1.0000     0.0899     0.9844     0.9321     0.0523
 74   0     0.9179     1.0000     0.0821     0.9832     0.9294     0.0538
 75   0     6.1778     6.0000    -0.1778     4.0003     3.6782     0.3221
 76   0     6.1784     6.0000    -0.1784     4.0033     3.6793     0.3240
 77   0     6.1827     6.0000    -0.1827     4.0027     3.6751     0.3276
 78   0     6.1759     6.0000    -0.1759     3.9589     3.6326     0.3263
 79   0     6.1612     6.0000    -0.1612     4.0004     3.6781     0.3223
 80   0     0.9011     1.0000     0.0989     0.9863     0.9360     0.0503
 81   0     0.9131     1.0000     0.0869     0.9873     0.9341     0.0532
 82   0     0.8986     1.0000     0.1014     0.9838     0.9340     0.0498
 83   0     0.9273     1.0000     0.0727     0.9918     0.9357     0.0561
 84   0     0.9140     1.0000     0.0860     0.9817     0.9290     0.0527
 85   0     0.9026     1.0000     0.0974     0.9799     0.9271     0.0528
 86   0     0.9137     1.0000     0.0863     0.9790     0.9251     0.0539
 87   0     0.9203     1.0000     0.0797     0.9794     0.9237     0.0557
 88   0     0.9005     1.0000     0.0995     0.9767     0.9259     0.0508
 89   0     0.9211     1.0000     0.0789     0.9878     0.9359     0.0519
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.918310
                0             6               4            6                0.909031
                0             6               5            1                0.954758
                0             6               6            1                0.953393
                1             6               2            6                0.925670
                1             6               7            1                0.945000
                1             6               8            1                0.952481
                2             6               3            6                0.910688
                2             6               9            1                0.958568
                2             6              10            1                0.956621
                3             6               4            6                0.908592
                3             6              11            1                0.954489
                3             6              12            1                0.967579
                4             6              13            1                0.935529
                4             6              14            1                0.957836
               15             6              16            6                0.900191
               15             6              19            6                0.896115
               15             6              20            1                0.954644
               15             6              21            1                0.950426
               16             6              17            6                0.925500
               16             6              22            1                0.943858
               16             6              23            1                0.946126
               17             6              18            6                0.904570
               17             6              24            1                0.946634
               17             6              25            1                0.960512
               18             6              19            6                0.914119
               18             6              26            1                0.939564
               18             6              27            1                0.953914
               19             6              28            1                0.950569
               19             6              29            1                0.946806
               30             6              31            6                0.913880
               30             6              34            6                0.904209
               30             6              35            1                0.964372
               30             6              36            1                0.944299
               31             6              32            6                0.906969
               31             6              37            1                0.947164
               31             6              38            1                0.953292
               32             6              33            6                0.911526
               32             6              39            1                0.948563
               32             6              40            1                0.950302
               33             6              34            6                0.912136
               33             6              41            1                0.944317
               33             6              42            1                0.955915
               34             6              43            1                0.949002
               34             6              44            1                0.942481
               45             6              46            6                0.917673
               45             6              49            6                0.919515
               45             6              50            1                0.955375
               45             6              51            1                0.947590
               46             6              47            6                0.909243
               46             6              52            1                0.947589
               46             6              53            1                0.946623
               47             6              48            6                0.906841
               47             6              54            1                0.939739
               47             6              55            1                0.963960
               48             6              49            6                0.912060
               48             6              56            1                0.946991
               48             6              57            1                0.943336
               49             6              58            1                0.952702
               49             6              59            1                0.951125
               60             6              61            6                0.911484
               60             6              64            6                0.908557
               60             6              65            1                0.947607
               60             6              66            1                0.947164
               61             6              62            6                0.904306
               61             6              67            1                0.950848
               61             6              68            1                0.950456
               62             6              63            6                0.902106
               62             6              69            1                0.953290
               62             6              70            1                0.950407
               63             6              64            6                0.910321
               63             6              71            1                0.951765
               63             6              72            1                0.949969
               64             6              73            1                0.946737
               64             6              74            1                0.952854
               75             6              76            6                0.902807
               75             6              79            6                0.903670
               75             6              80            1                0.954378
               75             6              81            1                0.950633
               76             6              77            6                0.907692
               76             6              82            1                0.953324
               76             6              83            1                0.950385
               77             6              78            6                0.893041
               77             6              84            1                0.947998
               77             6              85            1                0.948934
               78             6              79            6                0.896232
               78             6              86            1                0.947416
               78             6              87            1                0.947627
               79             6              88            1                0.942671
               79             6              89            1                0.953002
# -----------------------------------------------------------
$ 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     6.1777     6.0000    -0.1777     3.9979     3.6848     0.3131
  1   0     6.2527     6.0000    -0.2527     4.0142     3.6867     0.3275
  2   0     6.2079     6.0000    -0.2079     4.0385     3.7279     0.3106
  3   0     6.1787     6.0000    -0.1787     3.9786     3.6623     0.3163
  4   0     6.2989     6.0000    -0.2989     4.0287     3.6925     0.3362
  5   0     0.8713     1.0000     0.1287     0.9719     0.9256     0.0463
  6   0     0.9227     1.0000     0.0773     0.9975     0.9437     0.0538
  7   0     0.8834     1.0000     0.1166     0.9750     0.9227     0.0523
  8   0     0.8882     1.0000     0.1118     0.9742     0.9206     0.0536
  9   0     0.8801     1.0000     0.1199     0.9744     0.9249     0.0495
 10   0     0.8864     1.0000     0.1136     0.9753     0.9263     0.0490
 11   0     0.9238     1.0000     0.0762     0.9978     0.9404     0.0574
 12   0     0.8787     1.0000     0.1213     0.9722     0.9236     0.0486
 13   0     0.8879     1.0000     0.1121     0.9742     0.9213     0.0529
 14   0     0.8887     1.0000     0.1113     0.9722     0.9173     0.0549
 15   0     6.2552     6.0000    -0.2552     3.9662     3.6408     0.3254
 16   0     6.1974     6.0000    -0.1974     3.9939     3.6781     0.3158
 17   0     6.2133     6.0000    -0.2133     3.9918     3.6838     0.3080
 18   0     6.2030     6.0000    -0.2030     3.9768     3.6596     0.3172
 19   0     6.2199     6.0000    -0.2199     3.9861     3.6709     0.3152
 20   0     0.8931     1.0000     0.1069     0.9714     0.9182     0.0532
 21   0     0.8918     1.0000     0.1082     0.9802     0.9267     0.0535
 22   0     0.8867     1.0000     0.1133     0.9865     0.9376     0.0489
 23   0     0.8925     1.0000     0.1075     0.9777     0.9252     0.0525
 24   0     0.8923     1.0000     0.1077     0.9806     0.9304     0.0502
 25   0     0.8921     1.0000     0.1079     0.9795     0.9314     0.0481
 26   0     0.8895     1.0000     0.1105     0.9814     0.9283     0.0531
 27   0     0.8960     1.0000     0.1040     0.9792     0.9284     0.0508
 28   0     0.8873     1.0000     0.1127     0.9799     0.9293     0.0506
 29   0     0.8839     1.0000     0.1161     0.9730     0.9222     0.0508
 30   0     6.2008     6.0000    -0.2008     3.9900     3.6671     0.3229
 31   0     6.2364     6.0000    -0.2364     3.9940     3.6755     0.3185
 32   0     6.2100     6.0000    -0.2100     3.9878     3.6705     0.3173
 33   0     6.2072     6.0000    -0.2072     3.9905     3.6750     0.3155
 34   0     6.2186     6.0000    -0.2186     3.9922     3.6693     0.3229
 35   0     0.9039     1.0000     0.0961     0.9972     0.9446     0.0526
 36   0     0.8862     1.0000     0.1138     0.9769     0.9256     0.0513
 37   0     0.8867     1.0000     0.1133     0.9758     0.9259     0.0499
 38   0     0.8854     1.0000     0.1146     0.9708     0.9188     0.0520
 39   0     0.8889     1.0000     0.1111     0.9770     0.9275     0.0495
 40   0     0.8928     1.0000     0.1072     0.9798     0.9278     0.0520
 41   0     0.8803     1.0000     0.1197     0.9761     0.9274     0.0487
 42   0     0.8976     1.0000     0.1024     0.9799     0.9270     0.0529
 43   0     0.8904     1.0000     0.1096     0.9820     0.9322     0.0498
 44   0     0.9111     1.0000     0.0889     0.9887     0.9336     0.0551
 45   0     6.1943     6.0000    -0.1943     3.9990     3.6892     0.3098
 46   0     6.2040     6.0000    -0.2040     3.9856     3.6663     0.3193
 47   0     6.2246     6.0000    -0.2246     4.0027     3.6787     0.3240
 48   0     6.2360     6.0000    -0.2360     4.0057     3.6784     0.3273
 49   0     6.2362     6.0000    -0.2362     4.0143     3.6952     0.3191
 50   0     0.9045     1.0000     0.0955     0.9793     0.9278     0.0515
 51   0     0.8790     1.0000     0.1210     0.9791     0.9311     0.0480
 52   0     0.8980     1.0000     0.1020     0.9798     0.9281     0.0517
 53   0     0.8853     1.0000     0.1147     0.9800     0.9292     0.0508
 54   0     0.8951     1.0000     0.1049     0.9765     0.9238     0.0527
 55   0     0.9004     1.0000     0.0996     0.9921     0.9422     0.0499
 56   0     0.8926     1.0000     0.1074     0.9809     0.9291     0.0518
 57   0     0.8782     1.0000     0.1218     0.9754     0.9259     0.0495
 58   0     0.8815     1.0000     0.1185     0.9770     0.9280     0.0490
 59   0     0.8892     1.0000     0.1108     0.9738     0.9214     0.0524
 60   0     6.2054     6.0000    -0.2054     3.9893     3.6763     0.3130
 61   0     6.2298     6.0000    -0.2298     3.9796     3.6610     0.3186
 62   0     6.2260     6.0000    -0.2260     3.9873     3.6703     0.3170
 63   0     6.2081     6.0000    -0.2081     3.9904     3.6768     0.3136
 64   0     6.2310     6.0000    -0.2310     3.9883     3.6713     0.3170
 65   0     0.8872     1.0000     0.1128     0.9780     0.9270     0.0510
 66   0     0.8894     1.0000     0.1106     0.9786     0.9290     0.0496
 67   0     0.8880     1.0000     0.1120     0.9775     0.9265     0.0510
 68   0     0.8964     1.0000     0.1036     0.9765     0.9221     0.0544
 69   0     0.8920     1.0000     0.1080     0.9775     0.9267     0.0508
 70   0     0.8901     1.0000     0.1099     0.9811     0.9298     0.0513
 71   0     0.8889     1.0000     0.1111     0.9779     0.9276     0.0503
 72   0     0.8887     1.0000     0.1113     0.9789     0.9285     0.0504
 73   0     0.8853     1.0000     0.1147     0.9751     0.9239     0.0512
 74   0     0.8933     1.0000     0.1067     0.9746     0.9218     0.0528
 75   0     6.2165     6.0000    -0.2165     3.9836     3.6659     0.3177
 76   0     6.2284     6.0000    -0.2284     3.9889     3.6693     0.3196
 77   0     6.2372     6.0000    -0.2372     3.9828     3.6597     0.3231
 78   0     6.2139     6.0000    -0.2139     3.9260     3.6045     0.3215
 79   0     6.2146     6.0000    -0.2146     3.9827     3.6644     0.3183
 80   0     0.8796     1.0000     0.1204     0.9814     0.9322     0.0492
 81   0     0.8907     1.0000     0.1093     0.9783     0.9261     0.0522
 82   0     0.8778     1.0000     0.1222     0.9756     0.9267     0.0489
 83   0     0.8971     1.0000     0.1029     0.9863     0.9315     0.0548
 84   0     0.8926     1.0000     0.1074     0.9749     0.9232     0.0517
 85   0     0.8741     1.0000     0.1259     0.9712     0.9198     0.0514
 86   0     0.8920     1.0000     0.1080     0.9723     0.9194     0.0529
 87   0     0.8946     1.0000     0.1054     0.9774     0.9231     0.0543
 88   0     0.8808     1.0000     0.1192     0.9700     0.9201     0.0499
 89   0     0.8941     1.0000     0.1059     0.9809     0.9302     0.0507
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.926077
                0             6               4            6                0.918472
                0             6               5            1                0.943361
                0             6               6            1                0.937074
                1             6               2            6                0.933237
                1             6               7            1                0.932886
                1             6               8            1                0.932658
                2             6               3            6                0.927238
                2             6               9            1                0.940060
                2             6              10            1                0.942422
                3             6               4            6                0.919123
                3             6              11            1                0.933270
                3             6              12            1                0.952276
                4             6              13            1                0.920084
                4             6              14            1                0.938896
               15             6              16            6                0.906981
               15             6              19            6                0.905982
               15             6              20            1                0.939451
               15             6              21            1                0.937024
               16             6              17            6                0.929837
               16             6              22            1                0.935186
               16             6              23            1                0.932390
               17             6              18            6                0.913163
               17             6              24            1                0.935000
               17             6              25            1                0.948668
               18             6              19            6                0.919408
               18             6              26            1                0.926113
               18             6              27            1                0.941372
               19             6              28            1                0.939096
               19             6              29            1                0.932522
               30             6              31            6                0.922670
               30             6              34            6                0.910552
               30             6              35            1                0.948731
               30             6              36            1                0.928850
               31             6              32            6                0.914197
               31             6              37            1                0.930736
               31             6              38            1                0.939047
               32             6              33            6                0.919351
               32             6              39            1                0.934586
               32             6              40            1                0.934775
               33             6              34            6                0.920524
               33             6              41            1                0.931665
               33             6              42            1                0.943005
               34             6              43            1                0.935935
               34             6              44            1                0.929722
               45             6              46            6                0.924069
               45             6              49            6                0.928752
               45             6              50            1                0.939140
               45             6              51            1                0.936849
               46             6              47            6                0.913494
               46             6              52            1                0.935307
               46             6              53            1                0.933605
               47             6              48            6                0.919919
               47             6              54            1                0.925036
               47             6              55            1                0.949701
               48             6              49            6                0.919246
               48             6              56            1                0.933226
               48             6              57            1                0.932345
               49             6              58            1                0.940094
               49             6              59            1                0.935660
               60             6              61            6                0.918905
               60             6              64            6                0.918940
               60             6              65            1                0.934528
               60             6              66            1                0.935387
               61             6              62            6                0.916845
               61             6              67            1                0.938634
               61             6              68            1                0.934778
               62             6              63            6                0.908485
               62             6              69            1                0.940912
               62             6              70            1                0.937012
               63             6              64            6                0.922585
               63             6              71            1                0.938188
               63             6              72            1                0.938082
               64             6              73            1                0.932363
               64             6              74            1                0.938878
               75             6              76            6                0.919378
               75             6              79            6                0.909561
               75             6              80            1                0.941688
               75             6              81            1                0.936385
               76             6              77            6                0.910070
               76             6              82            1                0.938559
               76             6              83            1                0.935197
               77             6              78            6                0.901459
               77             6              84            1                0.933970
               77             6              85            1                0.933053
               78             6              79            6                0.900664
               78             6              86            1                0.931889
               78             6              87            1                0.933890
               79             6              88            1                0.930522
               79             6              89            1                0.941596
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2261517307
        Correlation Energy:       -5.0769016375
        Total MP2 Energy:      -1176.3030533682
# -----------------------------------------------------------
$ 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) :        0.2983307850
        Electronic Contribution:
                  0    
      0      -0.573129
      1      -0.027105
      2      -0.176829
        Nuclear Contribution:
                  0    
      0       0.546271
      1      -0.072301
      2       0.120501
        Total Dipole moment:
                  0    
      0      -0.026858
      1      -0.099406
      2      -0.056328
# -----------------------------------------------------------
$ 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) :        0.3001479557
        Electronic Contribution:
                  0    
      0      -0.573244
      1      -0.027980
      2      -0.176717
        Nuclear Contribution:
                  0    
      0       0.546271
      1      -0.072301
      2       0.120501
        Total Dipole moment:
                  0    
      0      -0.026974
      1      -0.100280
      2      -0.056217
# -----------------------------------------------------------
$ 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) :        0.2729285377
        Electronic Contribution:
                  0    
      0      -0.568700
      1      -0.026666
      2      -0.155604
        Nuclear Contribution:
                  0    
      0       0.546271
      1      -0.072301
      2       0.120501
        Total Dipole moment:
                  0    
      0      -0.022430
      1      -0.098966
      2      -0.035103
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     23.430000000000   16.040000000000   17.130000000000
               1 C     22.470000000000   14.830000000000   17.110000000000
               2 C     21.240000000000   15.100000000000   16.270000000000
               3 C     21.270000000000   16.590000000000   16.080000000000
               4 C     22.540000000000   17.250000000000   16.750000000000
               5 H     24.250000000000   16.030000000000   16.500000000000
               6 H     23.780000000000   16.140000000000   18.140000000000
               7 H     22.200000000000   14.530000000000   18.150000000000
               8 H     22.990000000000   13.970000000000   16.610000000000
               9 H     20.400000000000   14.630000000000   16.750000000000
              10 H     21.240000000000   14.630000000000   15.310000000000
              11 H     20.370000000000   17.130000000000   16.450000000000
              12 H     21.210000000000   16.830000000000   15.060000000000
              13 H     22.320000000000   18.030000000000   17.480000000000
              14 H     23.170000000000   17.810000000000   15.980000000000
              15 C     24.810000000000   20.150000000000   18.320000000000
              16 C     25.620000000000   20.230000000000   16.970000000000
              17 C     24.950000000000   21.360000000000   16.220000000000
              18 C     24.140000000000   22.180000000000   17.230000000000
              19 C     23.950000000000   21.380000000000   18.530000000000
              20 H     25.520000000000   20.080000000000   19.180000000000
              21 H     24.250000000000   19.200000000000   18.420000000000
              22 H     25.560000000000   19.300000000000   16.440000000000
              23 H     26.640000000000   20.570000000000   17.300000000000
              24 H     24.300000000000   21.010000000000   15.440000000000
              25 H     25.650000000000   22.010000000000   15.790000000000
              26 H     23.130000000000   22.470000000000   16.810000000000
              27 H     24.790000000000   23.030000000000   17.410000000000
              28 H     22.920000000000   21.080000000000   18.670000000000
              29 H     24.250000000000   21.910000000000   19.460000000000
              30 C     19.110000000000   19.980000000000   17.030000000000
              31 C     18.580000000000   19.200000000000   15.840000000000
              32 C     19.320000000000   19.690000000000   14.580000000000
              33 C     20.690000000000   20.150000000000   15.120000000000
              34 C     20.560000000000   20.490000000000   16.600000000000
              35 H     19.240000000000   19.360000000000   17.930000000000
              36 H     18.380000000000   20.770000000000   17.290000000000
              37 H     17.500000000000   19.290000000000   15.760000000000
              38 H     18.740000000000   18.110000000000   15.950000000000
              39 H     18.870000000000   20.510000000000   14.050000000000
              40 H     19.350000000000   18.820000000000   13.890000000000
              41 H     21.120000000000   20.890000000000   14.460000000000
              42 H     21.330000000000   19.280000000000   15.100000000000
              43 H     20.590000000000   21.560000000000   16.700000000000
              44 H     21.320000000000   19.950000000000   17.230000000000
              45 C     19.000000000000   16.630000000000   22.150000000000
              46 C     19.600000000000   15.470000000000   21.360000000000
              47 C     20.530000000000   16.170000000000   20.290000000000
              48 C     19.950000000000   17.590000000000   19.980000000000
              49 C     18.960000000000   17.830000000000   21.210000000000
              50 H     19.740000000000   16.830000000000   22.920000000000
              51 H     18.090000000000   16.330000000000   22.620000000000
              52 H     18.730000000000   14.930000000000   20.960000000000
              53 H     20.240000000000   14.810000000000   21.960000000000
              54 H     20.640000000000   15.510000000000   19.410000000000
              55 H     21.510000000000   16.220000000000   20.680000000000
              56 H     19.370000000000   17.500000000000   19.040000000000
              57 H     20.740000000000   18.350000000000   19.960000000000
              58 H     17.980000000000   18.080000000000   20.890000000000
              59 H     19.280000000000   18.740000000000   21.760000000000
              60 C     18.450000000000    9.810000000000   19.420000000000
              61 C     19.760000000000   10.470000000000   18.930000000000
              62 C     19.640000000000   10.930000000000   17.490000000000
              63 C     18.110000000000   10.940000000000   17.170000000000
              64 C     17.440000000000   10.420000000000   18.450000000000
              65 H     18.120000000000   10.140000000000   20.420000000000
              66 H     18.540000000000    8.730000000000   19.390000000000
              67 H     20.570000000000    9.760000000000   19.120000000000
              68 H     19.950000000000   11.350000000000   19.620000000000
              69 H     20.210000000000   10.220000000000   16.900000000000
              70 H     20.170000000000   11.880000000000   17.340000000000
              71 H     18.050000000000   10.300000000000   16.300000000000
              72 H     17.770000000000   11.950000000000   16.920000000000
              73 H     16.590000000000    9.760000000000   18.230000000000
              74 H     16.940000000000   11.310000000000   18.890000000000
              75 C     24.430000000000   13.400000000000   20.250000000000
              76 C     24.880000000000   14.860000000000   20.480000000000
              77 C     25.840000000000   15.230000000000   19.340000000000
              78 C     25.780000000000   14.070000000000   18.370000000000
              79 C     24.990000000000   12.860000000000   18.900000000000
              80 H     23.380000000000   13.190000000000   20.190000000000
              81 H     24.940000000000   12.760000000000   20.990000000000
              82 H     25.470000000000   15.110000000000   21.340000000000
              83 H     24.000000000000   15.570000000000   20.510000000000
              84 H     26.880000000000   15.300000000000   19.740000000000
              85 H     25.610000000000   16.180000000000   18.800000000000
              86 H     26.830000000000   13.840000000000   18.050000000000
              87 H     25.310000000000   14.350000000000   17.400000000000
              88 H     25.570000000000   11.930000000000   18.980000000000
              89 H     24.160000000000   12.650000000000   18.250000000000
