-------------------------------------------------------------
----------------------- !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:    -1171.1895343880
# -----------------------------------------------------------
$ 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     6.1225     6.0000    -0.1225     3.9023     3.9023    -0.0000
  1   0     6.2042     6.0000    -0.2042     3.9338     3.9338    -0.0000
  2   0     6.1023     6.0000    -0.1023     3.8930     3.8930     0.0000
  3   0     6.1752     6.0000    -0.1752     3.9171     3.9171     0.0000
  4   0     6.1657     6.0000    -0.1657     3.8368     3.8368     0.0000
  5   0     0.9136     1.0000     0.0864     0.9763     0.9763    -0.0000
  6   0     0.9123     1.0000     0.0877     0.9776     0.9776     0.0000
  7   0     0.9133     1.0000     0.0867     0.9741     0.9741    -0.0000
  8   0     0.9095     1.0000     0.0905     0.9752     0.9752    -0.0000
  9   0     0.9288     1.0000     0.0712     0.9761     0.9761     0.0000
 10   0     0.9621     1.0000     0.0379     0.9970     0.9970     0.0000
 11   0     0.9181     1.0000     0.0819     0.9726     0.9726     0.0000
 12   0     0.9248     1.0000     0.0752     0.9715     0.9715     0.0000
 13   0     0.9083     1.0000     0.0917     0.9716     0.9716     0.0000
 14   0     0.9434     1.0000     0.0566     0.9829     0.9829    -0.0000
 15   0     6.1718     6.0000    -0.1718     3.9237     3.9237     0.0000
 16   0     6.1712     6.0000    -0.1712     3.8976     3.8976     0.0000
 17   0     6.1812     6.0000    -0.1812     3.8828     3.8828    -0.0000
 18   0     6.1754     6.0000    -0.1754     3.9316     3.9316    -0.0000
 19   0     6.0916     6.0000    -0.0916     3.8503     3.8503    -0.0000
 20   0     0.9158     1.0000     0.0842     0.9662     0.9662     0.0000
 21   0     0.9163     1.0000     0.0837     0.9721     0.9721    -0.0000
 22   0     0.9245     1.0000     0.0755     0.9723     0.9723     0.0000
 23   0     0.9092     1.0000     0.0908     0.9756     0.9756     0.0000
 24   0     0.9095     1.0000     0.0905     0.9715     0.9715    -0.0000
 25   0     0.9303     1.0000     0.0697     0.9744     0.9744     0.0000
 26   0     0.9156     1.0000     0.0844     0.9760     0.9760    -0.0000
 27   0     0.9067     1.0000     0.0933     0.9716     0.9716     0.0000
 28   0     0.9049     1.0000     0.0951     0.9715     0.9715     0.0000
 29   0     0.9844     1.0000     0.0156     1.0095     1.0095    -0.0000
 30   0     6.1589     6.0000    -0.1589     3.9081     3.9081    -0.0000
 31   0     6.1786     6.0000    -0.1786     3.9001     3.9001     0.0000
 32   0     6.1632     6.0000    -0.1632     3.8998     3.8998     0.0000
 33   0     6.1862     6.0000    -0.1862     3.9059     3.9059     0.0000
 34   0     6.1130     6.0000    -0.1130     3.9042     3.9042    -0.0000
 35   0     0.9224     1.0000     0.0776     0.9761     0.9761     0.0000
 36   0     0.9159     1.0000     0.0841     0.9769     0.9769    -0.0000
 37   0     0.9156     1.0000     0.0844     0.9766     0.9766     0.0000
 38   0     0.9178     1.0000     0.0822     0.9768     0.9768     0.0000
 39   0     0.9222     1.0000     0.0778     0.9717     0.9717     0.0000
 40   0     0.9117     1.0000     0.0883     0.9787     0.9787     0.0000
 41   0     0.9368     1.0000     0.0632     0.9767     0.9767     0.0000
 42   0     0.9122     1.0000     0.0878     0.9709     0.9709     0.0000
 43   0     0.9110     1.0000     0.0890     0.9813     0.9813    -0.0000
 44   0     0.9347     1.0000     0.0653     0.9904     0.9904    -0.0000
 45   0     6.1918     6.0000    -0.1918     3.9389     3.9389     0.0000
 46   0     6.1308     6.0000    -0.1308     3.9147     3.9147    -0.0000
 47   0     6.1543     6.0000    -0.1543     3.9040     3.9040     0.0000
 48   0     6.1766     6.0000    -0.1766     3.8553     3.8553     0.0000
 49   0     6.1164     6.0000    -0.1164     3.8553     3.8553     0.0000
 50   0     0.9141     1.0000     0.0859     0.9714     0.9714    -0.0000
 51   0     0.9138     1.0000     0.0862     0.9754     0.9754    -0.0000
 52   0     0.9180     1.0000     0.0820     0.9744     0.9744     0.0000
 53   0     0.9147     1.0000     0.0853     0.9830     0.9830     0.0000
 54   0     0.9325     1.0000     0.0675     0.9801     0.9801     0.0000
 55   0     0.9072     1.0000     0.0928     0.9741     0.9741     0.0000
 56   0     0.9253     1.0000     0.0747     0.9741     0.9741     0.0000
 57   0     0.9324     1.0000     0.0676     0.9781     0.9781     0.0000
 58   0     0.9389     1.0000     0.0611     0.9856     0.9856     0.0000
 59   0     0.9353     1.0000     0.0647     0.9886     0.9886     0.0000
 60   0     6.1443     6.0000    -0.1443     3.8752     3.8752     0.0000
 61   0     6.1704     6.0000    -0.1704     3.8798     3.8798     0.0000
 62   0     6.1477     6.0000    -0.1477     3.9165     3.9165    -0.0000
 63   0     6.1478     6.0000    -0.1478     3.9001     3.9001    -0.0000
 64   0     6.1869     6.0000    -0.1869     3.8732     3.8732     0.0000
 65   0     0.9216     1.0000     0.0784     0.9767     0.9767     0.0000
 66   0     0.9206     1.0000     0.0794     0.9802     0.9802     0.0000
 67   0     0.9301     1.0000     0.0699     0.9752     0.9752     0.0000
 68   0     0.9132     1.0000     0.0868     0.9743     0.9743     0.0000
 69   0     0.9242     1.0000     0.0758     0.9798     0.9798    -0.0000
 70   0     0.9175     1.0000     0.0825     0.9746     0.9746    -0.0000
 71   0     0.9017     1.0000     0.0983     0.9749     0.9749    -0.0000
 72   0     0.9246     1.0000     0.0754     0.9732     0.9732     0.0000
 73   0     0.9293     1.0000     0.0707     0.9784     0.9784     0.0000
 74   0     0.9146     1.0000     0.0854     0.9706     0.9706     0.0000
 75   0     6.1299     6.0000    -0.1299     3.8527     3.8527     0.0000
 76   0     6.1286     6.0000    -0.1286     3.8768     3.8768    -0.0000
 77   0     6.1722     6.0000    -0.1722     3.9170     3.9170    -0.0000
 78   0     6.1513     6.0000    -0.1513     3.9142     3.9142    -0.0000
 79   0     6.1670     6.0000    -0.1670     3.9124     3.9124    -0.0000
 80   0     0.9275     1.0000     0.0725     0.9702     0.9702     0.0000
 81   0     0.9695     1.0000     0.0305     0.9966     0.9966     0.0000
 82   0     0.9150     1.0000     0.0850     0.9686     0.9686    -0.0000
 83   0     0.9204     1.0000     0.0796     0.9819     0.9819     0.0000
 84   0     0.9132     1.0000     0.0868     0.9803     0.9803    -0.0000
 85   0     0.9190     1.0000     0.0810     0.9751     0.9751     0.0000
 86   0     0.9198     1.0000     0.0802     0.9848     0.9848    -0.0000
 87   0     0.9226     1.0000     0.0774     0.9770     0.9770    -0.0000
 88   0     0.9156     1.0000     0.0844     0.9716     0.9716    -0.0000
 89   0     0.9189     1.0000     0.0811     0.9819     0.9819    -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                0.985901
                0             6               4            6                0.962170
                0             6               5            1                0.997546
                0             6               6            1                0.995445
                1             6               2            6                0.961439
                1             6               7            1                0.998450
                1             6               8            1                0.998883
                2             6               3            6                0.979802
                2             6               9            1                0.999426
                2             6              10            1                0.996353
                3             6               4            6                0.948792
                3             6              11            1                0.987071
                3             6              12            1                1.000399
                4             6              13            1                0.992049
                4             6              14            1                0.996680
               15             6              16            6                0.982297
               15             6              19            6                0.968544
               15             6              20            1                0.994659
               15             6              21            1                0.986495
               16             6              17            6                0.967079
               16             6              22            1                0.989657
               16             6              23            1                0.988464
               17             6              18            6                0.981742
               17             6              24            1                0.981327
               17             6              25            1                0.996727
               18             6              19            6                0.964610
               18             6              26            1                0.986069
               18             6              27            1                0.991067
               19             6              28            1                0.986969
               19             6              29            1                1.002134
               30             6              31            6                0.972622
               30             6              34            6                0.979556
               30             6              35            1                0.996440
               30             6              36            1                0.992045
               31             6              32            6                0.972185
               31             6              37            1                0.994439
               31             6              38            1                0.995230
               32             6              33            6                0.976426
               32             6              39            1                0.993529
               32             6              40            1                0.994260
               33             6              34            6                0.974655
               33             6              41            1                0.986129
               33             6              42            1                0.993088
               34             6              43            1                0.986471
               34             6              44            1                0.994382
               45             6              46            6                0.987911
               45             6              49            6                0.958039
               45             6              50            1                0.992902
               45             6              51            1                0.996487
               46             6              47            6                0.987682
               46             6              52            1                0.986387
               46             6              53            1                0.988384
               47             6              48            6                0.956030
               47             6              54            1                0.999940
               47             6              55            1                0.991057
               48             6              49            6                0.953653
               48             6              56            1                0.987640
               48             6              57            1                1.000034
               49             6              58            1                0.991381
               49             6              59            1                1.002066
               60             6              61            6                0.970723
               60             6              64            6                0.954952
               60             6              65            1                0.991423
               60             6              66            1                0.996902
               61             6              62            6                0.957781
               61             6              67            1                0.993635
               61             6              68            1                0.994411
               62             6              63            6                0.990682
               62             6              69            1                0.992127
               62             6              70            1                0.993608
               63             6              64            6                0.963120
               63             6              71            1                0.979792
               63             6              72            1                0.988762
               64             6              73            1                0.998548
               64             6              74            1                0.991421
               75             6              76            6                0.957773
               75             6              79            6                0.965712
               75             6              80            1                0.985152
               75             6              81            1                0.994592
               76             6              77            6                0.973304
               76             6              82            1                0.990855
               76             6              83            1                0.993368
               77             6              78            6                0.983568
               77             6              84            1                0.995714
               77             6              85            1                0.994148
               78             6              79            6                0.985275
               78             6              86            1                1.000520
               78             6              87            1                0.995106
               79             6              88            1                0.987833
               79             6              89            1                0.992324
# -----------------------------------------------------------
$ 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     6.1299     6.0000    -0.1299     4.0073     3.6921     0.3152
  1   0     6.2125     6.0000    -0.2125     4.0463     3.7211     0.3252
  2   0     6.1088     6.0000    -0.1088     3.9973     3.6834     0.3139
  3   0     6.1836     6.0000    -0.1836     4.0316     3.6954     0.3362
  4   0     6.1745     6.0000    -0.1745     3.9525     3.6160     0.3365
  5   0     0.9097     1.0000     0.0903     0.9856     0.9362     0.0494
  6   0     0.9082     1.0000     0.0918     0.9866     0.9381     0.0485
  7   0     0.9095     1.0000     0.0905     0.9834     0.9314     0.0520
  8   0     0.9058     1.0000     0.0942     0.9844     0.9344     0.0500
  9   0     0.9245     1.0000     0.0755     0.9856     0.9352     0.0504
 10   0     0.9581     1.0000     0.0419     1.0081     0.9552     0.0529
 11   0     0.9139     1.0000     0.0861     0.9823     0.9284     0.0539
 12   0     0.9211     1.0000     0.0789     0.9818     0.9264     0.0554
 13   0     0.9041     1.0000     0.0959     0.9807     0.9284     0.0523
 14   0     0.9397     1.0000     0.0603     0.9942     0.9394     0.0548
 15   0     6.1809     6.0000    -0.1809     4.0354     3.7105     0.3249
 16   0     6.1788     6.0000    -0.1788     4.0068     3.6823     0.3245
 17   0     6.1888     6.0000    -0.1888     3.9944     3.6665     0.3279
 18   0     6.1836     6.0000    -0.1836     4.0415     3.7149     0.3266
 19   0     6.0987     6.0000    -0.0987     3.9554     3.6370     0.3184
 20   0     0.9116     1.0000     0.0884     0.9751     0.9205     0.0546
 21   0     0.9121     1.0000     0.0879     0.9813     0.9266     0.0547
 22   0     0.9206     1.0000     0.0794     0.9822     0.9276     0.0546
 23   0     0.9054     1.0000     0.0946     0.9847     0.9302     0.0545
 24   0     0.9055     1.0000     0.0945     0.9808     0.9263     0.0545
 25   0     0.9264     1.0000     0.0736     0.9846     0.9316     0.0530
 26   0     0.9118     1.0000     0.0882     0.9854     0.9307     0.0547
 27   0     0.9027     1.0000     0.0973     0.9804     0.9286     0.0518
 28   0     0.9006     1.0000     0.0994     0.9801     0.9281     0.0520
 29   0     0.9807     1.0000     0.0193     1.0213     0.9627     0.0586
 30   0     6.1670     6.0000    -0.1670     4.0166     3.6945     0.3221
 31   0     6.1859     6.0000    -0.1859     4.0092     3.6892     0.3200
 32   0     6.1711     6.0000    -0.1711     4.0094     3.6864     0.3230
 33   0     6.1942     6.0000    -0.1942     4.0174     3.6967     0.3207
 34   0     6.1207     6.0000    -0.1207     4.0108     3.6940     0.3168
 35   0     0.9186     1.0000     0.0814     0.9857     0.9349     0.0508
 36   0     0.9122     1.0000     0.0878     0.9863     0.9346     0.0517
 37   0     0.9119     1.0000     0.0881     0.9859     0.9342     0.0517
 38   0     0.9141     1.0000     0.0859     0.9863     0.9359     0.0504
 39   0     0.9184     1.0000     0.0816     0.9815     0.9257     0.0558
 40   0     0.9079     1.0000     0.0921     0.9879     0.9381     0.0498
 41   0     0.9322     1.0000     0.0678     0.9863     0.9312     0.0551
 42   0     0.9083     1.0000     0.0917     0.9802     0.9293     0.0509
 43   0     0.9070     1.0000     0.0930     0.9902     0.9415     0.0487
 44   0     0.9306     1.0000     0.0694     1.0003     0.9484     0.0519
 45   0     6.2013     6.0000    -0.2013     4.0516     3.7268     0.3248
 46   0     6.1384     6.0000    -0.1384     4.0198     3.7027     0.3171
 47   0     6.1618     6.0000    -0.1618     4.0115     3.6939     0.3176
 48   0     6.1843     6.0000    -0.1843     3.9657     3.6452     0.3205
 49   0     6.1235     6.0000    -0.1235     3.9624     3.6455     0.3169
 50   0     0.9100     1.0000     0.0900     0.9806     0.9295     0.0511
 51   0     0.9095     1.0000     0.0905     0.9841     0.9319     0.0522
 52   0     0.9141     1.0000     0.0859     0.9839     0.9316     0.0523
 53   0     0.9108     1.0000     0.0892     0.9921     0.9418     0.0503
 54   0     0.9287     1.0000     0.0713     0.9900     0.9362     0.0538
 55   0     0.9034     1.0000     0.0966     0.9832     0.9342     0.0490
 56   0     0.9218     1.0000     0.0782     0.9843     0.9314     0.0529
 57   0     0.9284     1.0000     0.0716     0.9878     0.9349     0.0529
 58   0     0.9358     1.0000     0.0642     0.9974     0.9426     0.0548
 59   0     0.9307     1.0000     0.0693     0.9980     0.9472     0.0508
 60   0     6.1523     6.0000    -0.1523     3.9829     3.6663     0.3166
 61   0     6.1787     6.0000    -0.1787     3.9898     3.6745     0.3153
 62   0     6.1560     6.0000    -0.1560     4.0243     3.7064     0.3179
 63   0     6.1558     6.0000    -0.1558     4.0086     3.6938     0.3148
 64   0     6.1954     6.0000    -0.1954     3.9854     3.6630     0.3224
 65   0     0.9176     1.0000     0.0824     0.9863     0.9354     0.0509
 66   0     0.9165     1.0000     0.0835     0.9894     0.9401     0.0493
 67   0     0.9262     1.0000     0.0738     0.9849     0.9326     0.0523
 68   0     0.9091     1.0000     0.0909     0.9833     0.9339     0.0494
 69   0     0.9203     1.0000     0.0797     0.9893     0.9353     0.0540
 70   0     0.9134     1.0000     0.0866     0.9840     0.9324     0.0516
 71   0     0.8978     1.0000     0.1022     0.9838     0.9357     0.0481
 72   0     0.9203     1.0000     0.0797     0.9825     0.9294     0.0531
 73   0     0.9255     1.0000     0.0745     0.9886     0.9343     0.0543
 74   0     0.9103     1.0000     0.0897     0.9796     0.9289     0.0507
 75   0     6.1374     6.0000    -0.1374     3.9612     3.6437     0.3175
 76   0     6.1375     6.0000    -0.1375     3.9867     3.6701     0.3166
 77   0     6.1800     6.0000    -0.1800     4.0258     3.7066     0.3192
 78   0     6.1587     6.0000    -0.1587     4.0202     3.7039     0.3163
 79   0     6.1751     6.0000    -0.1751     4.0224     3.6969     0.3255
 80   0     0.9232     1.0000     0.0768     0.9799     0.9255     0.0544
 81   0     0.9650     1.0000     0.0350     1.0074     0.9528     0.0546
 82   0     0.9107     1.0000     0.0893     0.9776     0.9236     0.0540
 83   0     0.9162     1.0000     0.0838     0.9908     0.9403     0.0505
 84   0     0.9094     1.0000     0.0906     0.9895     0.9392     0.0503
 85   0     0.9152     1.0000     0.0848     0.9844     0.9320     0.0524
 86   0     0.9161     1.0000     0.0839     0.9942     0.9465     0.0477
 87   0     0.9188     1.0000     0.0812     0.9866     0.9358     0.0508
 88   0     0.9117     1.0000     0.0883     0.9808     0.9268     0.0540
 89   0     0.9151     1.0000     0.0849     0.9912     0.9377     0.0535
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.921307
                0             6               4            6                0.896983
                0             6               5            1                0.958467
                0             6               6            1                0.957039
                1             6               2            6                0.897973
                1             6               7            1                0.956815
                1             6               8            1                0.959045
                2             6               3            6                0.917951
                2             6               9            1                0.959078
                2             6              10            1                0.955477
                3             6               4            6                0.880399
                3             6              11            1                0.943766
                3             6              12            1                0.955795
                4             6              13            1                0.949859
                4             6              14            1                0.953862
               15             6              16            6                0.921536
               15             6              19            6                0.909180
               15             6              20            1                0.949899
               15             6              21            1                0.942438
               16             6              17            6                0.903239
               16             6              22            1                0.946497
               16             6              23            1                0.944629
               17             6              18            6                0.917472
               17             6              24            1                0.937884
               17             6              25            1                0.954816
               18             6              19            6                0.901866
               18             6              26            1                0.942601
               18             6              27            1                0.949470
               19             6              28            1                0.944892
               19             6              29            1                0.955995
               30             6              31            6                0.910383
               30             6              34            6                0.912085
               30             6              35            1                0.956292
               30             6              36            1                0.951018
               31             6              32            6                0.907470
               31             6              37            1                0.953287
               31             6              38            1                0.955561
               32             6              33            6                0.915022
               32             6              39            1                0.948721
               32             6              40            1                0.954985
               33             6              34            6                0.915146
               33             6              41            1                0.942018
               33             6              42            1                0.952575
               34             6              43            1                0.947720
               34             6              44            1                0.953452
               45             6              46            6                0.924904
               45             6              49            6                0.896152
               45             6              50            1                0.952077
               45             6              51            1                0.954178
               46             6              47            6                0.923570
               46             6              52            1                0.944942
               46             6              53            1                0.948731
               47             6              48            6                0.894405
               47             6              54            1                0.957041
               47             6              55            1                0.952595
               48             6              49            6                0.891355
               48             6              56            1                0.946358
               48             6              57            1                0.957965
               49             6              58            1                0.949217
               49             6              59            1                0.961411
               60             6              61            6                0.908969
               60             6              64            6                0.889869
               60             6              65            1                0.951370
               60             6              66            1                0.957866
               61             6              62            6                0.897984
               61             6              67            1                0.952272
               61             6              68            1                0.955309
               62             6              63            6                0.928034
               62             6              69            1                0.949056
               62             6              70            1                0.952815
               63             6              64            6                0.904129
               63             6              71            1                0.941936
               63             6              72            1                0.946108
               64             6              73            1                0.955780
               64             6              74            1                0.950939
               75             6              76            6                0.899455
               75             6              79            6                0.905377
               75             6              80            1                0.941286
               75             6              81            1                0.951551
               76             6              77            6                0.912868
               76             6              82            1                0.947011
               76             6              83            1                0.952606
               77             6              78            6                0.918215
               77             6              84            1                0.956156
               77             6              85            1                0.952263
               78             6              79            6                0.919757
               78             6              86            1                0.963413
               78             6              87            1                0.955039
               79             6              88            1                0.944397
               79             6              89            1                0.949562
# -----------------------------------------------------------
$ 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     6.1830     6.0000    -0.1830     3.9851     3.6738     0.3113
  1   0     6.2553     6.0000    -0.2553     4.0125     3.6913     0.3212
  2   0     6.1752     6.0000    -0.1752     3.9887     3.6791     0.3096
  3   0     6.2294     6.0000    -0.2294     4.0037     3.6723     0.3314
  4   0     6.2367     6.0000    -0.2367     3.9454     3.6134     0.3320
  5   0     0.8851     1.0000     0.1149     0.9796     0.9313     0.0483
  6   0     0.8852     1.0000     0.1148     0.9800     0.9325     0.0475
  7   0     0.8839     1.0000     0.1161     0.9744     0.9235     0.0509
  8   0     0.8798     1.0000     0.1202     0.9766     0.9277     0.0489
  9   0     0.8967     1.0000     0.1033     0.9781     0.9289     0.0492
 10   0     0.9234     1.0000     0.0766     0.9980     0.9466     0.0514
 11   0     0.8901     1.0000     0.1099     0.9786     0.9260     0.0526
 12   0     0.8938     1.0000     0.1062     0.9788     0.9249     0.0539
 13   0     0.8796     1.0000     0.1204     0.9736     0.9225     0.0511
 14   0     0.9087     1.0000     0.0913     0.9905     0.9373     0.0532
 15   0     6.2239     6.0000    -0.2239     4.0302     3.7104     0.3198
 16   0     6.2184     6.0000    -0.2184     3.9885     3.6688     0.3197
 17   0     6.2377     6.0000    -0.2377     3.9856     3.6622     0.3234
 18   0     6.2227     6.0000    -0.2227     4.0253     3.7032     0.3221
 19   0     6.1697     6.0000    -0.1697     3.9725     3.6585     0.3140
 20   0     0.8869     1.0000     0.1131     0.9727     0.9194     0.0533
 21   0     0.8920     1.0000     0.1080     0.9728     0.9190     0.0538
 22   0     0.8976     1.0000     0.1024     0.9734     0.9198     0.0536
 23   0     0.8826     1.0000     0.1174     0.9779     0.9245     0.0534
 24   0     0.8833     1.0000     0.1167     0.9726     0.9192     0.0534
 25   0     0.8956     1.0000     0.1044     0.9743     0.9227     0.0516
 26   0     0.8918     1.0000     0.1082     0.9769     0.9230     0.0539
 27   0     0.8811     1.0000     0.1189     0.9749     0.9241     0.0508
 28   0     0.8796     1.0000     0.1204     0.9718     0.9209     0.0509
 29   0     0.9400     1.0000     0.0600     1.0031     0.9461     0.0570
 30   0     6.2142     6.0000    -0.2142     3.9945     3.6762     0.3183
 31   0     6.2356     6.0000    -0.2356     3.9968     3.6806     0.3162
 32   0     6.2133     6.0000    -0.2133     3.9849     3.6662     0.3187
 33   0     6.2502     6.0000    -0.2502     4.0124     3.6963     0.3161
 34   0     6.1874     6.0000    -0.1874     4.0055     3.6926     0.3129
 35   0     0.8941     1.0000     0.1059     0.9780     0.9282     0.0498
 36   0     0.8881     1.0000     0.1119     0.9784     0.9278     0.0506
 37   0     0.8868     1.0000     0.1132     0.9762     0.9255     0.0507
 38   0     0.8886     1.0000     0.1114     0.9774     0.9281     0.0493
 39   0     0.8945     1.0000     0.1055     0.9733     0.9185     0.0548
 40   0     0.8840     1.0000     0.1160     0.9803     0.9316     0.0487
 41   0     0.9002     1.0000     0.0998     0.9760     0.9223     0.0537
 42   0     0.8818     1.0000     0.1182     0.9717     0.9220     0.0497
 43   0     0.8826     1.0000     0.1174     0.9826     0.9350     0.0476
 44   0     0.9001     1.0000     0.0999     0.9916     0.9411     0.0505
 45   0     6.2501     6.0000    -0.2501     4.0315     3.7109     0.3206
 46   0     6.1872     6.0000    -0.1872     4.0022     3.6892     0.3130
 47   0     6.2114     6.0000    -0.2114     3.9857     3.6721     0.3136
 48   0     6.2379     6.0000    -0.2379     3.9453     3.6291     0.3162
 49   0     6.1864     6.0000    -0.1864     3.9400     3.6272     0.3128
 50   0     0.8874     1.0000     0.1126     0.9744     0.9243     0.0501
 51   0     0.8817     1.0000     0.1183     0.9755     0.9246     0.0509
 52   0     0.8921     1.0000     0.1079     0.9789     0.9276     0.0513
 53   0     0.8894     1.0000     0.1106     0.9844     0.9350     0.0494
 54   0     0.8994     1.0000     0.1006     0.9800     0.9274     0.0526
 55   0     0.8812     1.0000     0.1188     0.9782     0.9302     0.0480
 56   0     0.8928     1.0000     0.1072     0.9780     0.9264     0.0516
 57   0     0.8991     1.0000     0.1009     0.9784     0.9268     0.0516
 58   0     0.9064     1.0000     0.0936     0.9943     0.9409     0.0534
 59   0     0.8988     1.0000     0.1012     0.9873     0.9379     0.0494
 60   0     6.2054     6.0000    -0.2054     3.9508     3.6381     0.3127
 61   0     6.2312     6.0000    -0.2312     3.9623     3.6511     0.3112
 62   0     6.2044     6.0000    -0.2044     3.9991     3.6853     0.3138
 63   0     6.2104     6.0000    -0.2104     3.9902     3.6798     0.3104
 64   0     6.2449     6.0000    -0.2449     3.9632     3.6451     0.3181
 65   0     0.8946     1.0000     0.1054     0.9803     0.9304     0.0499
 66   0     0.8885     1.0000     0.1115     0.9829     0.9348     0.0481
 67   0     0.8960     1.0000     0.1040     0.9774     0.9264     0.0510
 68   0     0.8834     1.0000     0.1166     0.9753     0.9271     0.0482
 69   0     0.8948     1.0000     0.1052     0.9846     0.9318     0.0528
 70   0     0.8910     1.0000     0.1090     0.9782     0.9276     0.0506
 71   0     0.8733     1.0000     0.1267     0.9807     0.9338     0.0469
 72   0     0.8947     1.0000     0.1053     0.9747     0.9227     0.0520
 73   0     0.8962     1.0000     0.1038     0.9828     0.9299     0.0529
 74   0     0.8862     1.0000     0.1138     0.9741     0.9245     0.0496
 75   0     6.2033     6.0000    -0.2033     3.9587     3.6458     0.3129
 76   0     6.1983     6.0000    -0.1983     3.9808     3.6689     0.3119
 77   0     6.2237     6.0000    -0.2237     4.0059     3.6909     0.3150
 78   0     6.2197     6.0000    -0.2197     4.0018     3.6890     0.3128
 79   0     6.2129     6.0000    -0.2129     3.9990     3.6781     0.3209
 80   0     0.8979     1.0000     0.1021     0.9759     0.9228     0.0531
 81   0     0.9254     1.0000     0.0746     0.9931     0.9401     0.0530
 82   0     0.8853     1.0000     0.1147     0.9710     0.9182     0.0528
 83   0     0.8891     1.0000     0.1109     0.9815     0.9323     0.0492
 84   0     0.8863     1.0000     0.1137     0.9812     0.9319     0.0493
 85   0     0.8901     1.0000     0.1099     0.9772     0.9259     0.0513
 86   0     0.8886     1.0000     0.1114     0.9838     0.9373     0.0465
 87   0     0.8925     1.0000     0.1075     0.9779     0.9282     0.0497
 88   0     0.8902     1.0000     0.1098     0.9752     0.9221     0.0531
 89   0     0.8894     1.0000     0.1106     0.9833     0.9310     0.0523
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.922970
                0             6               4            6                0.900973
                0             6               5            1                0.946468
                0             6               6            1                0.945877
                1             6               2            6                0.903730
                1             6               7            1                0.941401
                1             6               8            1                0.946318
                2             6               3            6                0.924745
                2             6               9            1                0.946584
                2             6              10            1                0.943985
                3             6               4            6                0.885067
                3             6              11            1                0.927146
                3             6              12            1                0.943307
                4             6              13            1                0.935624
                4             6              14            1                0.943190
               15             6              16            6                0.935843
               15             6              19            6                0.930237
               15             6              20            1                0.932088
               15             6              21            1                0.923912
               16             6              17            6                0.913896
               16             6              22            1                0.928917
               16             6              23            1                0.927572
               17             6              18            6                0.928851
               17             6              24            1                0.922633
               17             6              25            1                0.942542
               18             6              19            6                0.916998
               18             6              26            1                0.923907
               18             6              27            1                0.936841
               19             6              28            1                0.931018
               19             6              29            1                0.941105
               30             6              31            6                0.920013
               30             6              34            6                0.913809
               30             6              35            1                0.943097
               30             6              36            1                0.938962
               31             6              32            6                0.915398
               31             6              37            1                0.940106
               31             6              38            1                0.942461
               32             6              33            6                0.922320
               32             6              39            1                0.931901
               32             6              40            1                0.942181
               33             6              34            6                0.929678
               33             6              41            1                0.927261
               33             6              42            1                0.939507
               34             6              43            1                0.937660
               34             6              44            1                0.942654
               45             6              46            6                0.931286
               45             6              49            6                0.905217
               45             6              50            1                0.938216
               45             6              51            1                0.939597
               46             6              47            6                0.929360
               46             6              52            1                0.933003
               46             6              53            1                0.936469
               47             6              48            6                0.903195
               47             6              54            1                0.942271
               47             6              55            1                0.940928
               48             6              49            6                0.892564
               48             6              56            1                0.935866
               48             6              57            1                0.943874
               49             6              58            1                0.937693
               49             6              59            1                0.947887
               60             6              61            6                0.908024
               60             6              64            6                0.893021
               60             6              65            1                0.938224
               60             6              66            1                0.949250
               61             6              62            6                0.906700
               61             6              67            1                0.940464
               61             6              68            1                0.941837
               62             6              63            6                0.934200
               62             6              69            1                0.934440
               62             6              70            1                0.938402
               63             6              64            6                0.909193
               63             6              71            1                0.933525
               63             6              72            1                0.933100
               64             6              73            1                0.943179
               64             6              74            1                0.940124
               75             6              76            6                0.911413
               75             6              79            6                0.918498
               75             6              80            1                0.925862
               75             6              81            1                0.938559
               76             6              77            6                0.924919
               76             6              82            1                0.933155
               76             6              83            1                0.938892
               77             6              78            6                0.919123
               77             6              84            1                0.940600
               77             6              85            1                0.941253
               78             6              79            6                0.926005
               78             6              86            1                0.952063
               78             6              87            1                0.943227
               79             6              88            1                0.929197
               79             6              89            1                0.936436
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1895343880
        Correlation Energy:       -5.0747510200
        Total MP2 Energy:      -1176.2642854080
# -----------------------------------------------------------
$ 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) :        0.6586312168
        Electronic Contribution:
                  0    
      0       0.223241
      1       0.010545
      2       0.129545
        Nuclear Contribution:
                  0    
      0      -0.417736
      1      -0.176735
      2      -0.088367
        Total Dipole moment:
                  0    
      0      -0.194496
      1      -0.166190
      2       0.041178
# -----------------------------------------------------------
$ 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) :        0.6601587152
        Electronic Contribution:
                  0    
      0       0.223248
      1       0.009815
      2       0.130402
        Nuclear Contribution:
                  0    
      0      -0.417736
      1      -0.176735
      2      -0.088367
        Total Dipole moment:
                  0    
      0      -0.194489
      1      -0.166920
      2       0.042035
# -----------------------------------------------------------
$ 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) :        0.6006615565
        Electronic Contribution:
                  0    
      0       0.238092
      1       0.027115
      2       0.122803
        Nuclear Contribution:
                  0    
      0      -0.417736
      1      -0.176735
      2      -0.088367
        Total Dipole moment:
                  0    
      0      -0.179645
      1      -0.149620
      2       0.034436
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     14.450000000000   15.810000000000   21.090000000000
               1 C     13.260000000000   15.200000000000   20.240000000000
               2 C     13.750000000000   14.920000000000   18.790000000000
               3 C     15.230000000000   15.250000000000   18.700000000000
               4 C     15.680000000000   15.850000000000   20.150000000000
               5 H     14.780000000000   15.250000000000   21.910000000000
               6 H     14.300000000000   16.810000000000   21.360000000000
               7 H     12.400000000000   15.870000000000   20.260000000000
               8 H     12.830000000000   14.330000000000   20.650000000000
               9 H     13.160000000000   15.510000000000   18.150000000000
              10 H     13.510000000000   13.930000000000   18.530000000000
              11 H     15.460000000000   15.930000000000   17.850000000000
              12 H     15.800000000000   14.330000000000   18.450000000000
              13 H     16.040000000000   16.890000000000   20.110000000000
              14 H     16.480000000000   15.210000000000   20.490000000000
              15 C     19.030000000000   15.840000000000   21.670000000000
              16 C     19.610000000000   16.940000000000   20.840000000000
              17 C     20.060000000000   16.250000000000   19.530000000000
              18 C     20.330000000000   14.760000000000   19.820000000000
              19 C     19.550000000000   14.560000000000   21.140000000000
              20 H     17.890000000000   15.920000000000   21.690000000000
              21 H     19.360000000000   16.020000000000   22.750000000000
              22 H     20.500000000000   17.370000000000   21.380000000000
              23 H     18.970000000000   17.840000000000   20.570000000000
              24 H     20.870000000000   16.840000000000   18.980000000000
              25 H     19.210000000000   16.280000000000   18.880000000000
              26 H     21.470000000000   14.680000000000   19.890000000000
              27 H     19.970000000000   14.170000000000   18.960000000000
              28 H     20.090000000000   13.930000000000   21.880000000000
              29 H     18.650000000000   13.950000000000   20.920000000000
              30 C     17.490000000000   20.580000000000   17.610000000000
              31 C     17.570000000000   21.190000000000   16.210000000000
              32 C     17.800000000000   19.950000000000   15.250000000000
              33 C     17.530000000000   18.680000000000   16.030000000000
              34 C     17.750000000000   19.000000000000   17.470000000000
              35 H     16.510000000000   20.680000000000   18.020000000000
              36 H     18.210000000000   21.060000000000   18.280000000000
              37 H     18.330000000000   21.970000000000   16.210000000000
              38 H     16.700000000000   21.760000000000   16.000000000000
              39 H     18.890000000000   20.030000000000   14.900000000000
              40 H     17.230000000000   19.990000000000   14.360000000000
              41 H     18.250000000000   17.910000000000   15.640000000000
              42 H     16.580000000000   18.310000000000   15.690000000000
              43 H     18.730000000000   18.780000000000   17.780000000000
              44 H     17.010000000000   18.460000000000   18.040000000000
              45 C     17.330000000000   15.610000000000   13.840000000000
              46 C     18.710000000000   14.970000000000   13.700000000000
              47 C     18.710000000000   13.800000000000   14.740000000000
              48 C     17.610000000000   14.020000000000   15.750000000000
              49 C     16.690000000000   15.060000000000   15.130000000000
              50 H     16.730000000000   15.350000000000   12.970000000000
              51 H     17.460000000000   16.710000000000   13.810000000000
              52 H     19.450000000000   15.720000000000   14.030000000000
              53 H     18.850000000000   14.580000000000   12.700000000000
              54 H     19.590000000000   13.880000000000   15.380000000000
              55 H     18.640000000000   12.800000000000   14.420000000000
              56 H     17.900000000000   14.300000000000   16.760000000000
              57 H     17.070000000000   13.080000000000   15.820000000000
              58 H     16.480000000000   15.760000000000   15.920000000000
              59 H     15.770000000000   14.570000000000   14.900000000000
              60 C     11.850000000000   11.990000000000   17.000000000000
              61 C     10.930000000000   13.200000000000   16.940000000000
              62 C     11.490000000000   14.100000000000   15.900000000000
              63 C     12.900000000000   13.630000000000   15.500000000000
              64 C     13.110000000000   12.320000000000   16.160000000000
              65 H     11.410000000000   11.130000000000   16.520000000000
              66 H     12.240000000000   11.800000000000   17.950000000000
              67 H     10.860000000000   13.680000000000   17.910000000000
              68 H      9.950000000000   12.820000000000   16.840000000000
              69 H     11.480000000000   15.110000000000   16.380000000000
              70 H     10.750000000000   13.990000000000   15.110000000000
              71 H     13.630000000000   14.360000000000   15.650000000000
              72 H     12.820000000000   13.380000000000   14.420000000000
              73 H     13.920000000000   12.290000000000   16.910000000000
              74 H     13.250000000000   11.530000000000   15.430000000000
              75 C     16.220000000000   12.200000000000   20.500000000000
              76 C     17.330000000000   11.920000000000   21.420000000000
              77 C     17.450000000000   10.440000000000   21.650000000000
              78 C     16.170000000000    9.810000000000   21.000000000000
              79 C     15.310000000000   11.000000000000   20.450000000000
              80 H     16.480000000000   12.530000000000   19.460000000000
              81 H     15.730000000000   13.070000000000   20.910000000000
              82 H     17.110000000000   12.530000000000   22.360000000000
              83 H     18.290000000000   12.120000000000   21.020000000000
              84 H     17.460000000000   10.080000000000   22.660000000000
              85 H     18.330000000000   10.010000000000   21.140000000000
              86 H     15.660000000000    9.250000000000   21.670000000000
              87 H     16.380000000000    9.160000000000   20.180000000000
              88 H     14.400000000000   11.150000000000   21.110000000000
              89 H     15.010000000000   10.730000000000   19.410000000000
