-------------------------------------------------------------
----------------------- !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:    -1171.2008375171
# -----------------------------------------------------------
$ 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     6.0611     6.0000    -0.0611     3.8421     3.8421    -0.0000
  1   0     6.2535     6.0000    -0.2535     3.9293     3.9293    -0.0000
  2   0     6.1670     6.0000    -0.1670     3.9217     3.9217    -0.0000
  3   0     6.1113     6.0000    -0.1113     3.9028     3.9028    -0.0000
  4   0     6.1821     6.0000    -0.1821     3.9211     3.9211     0.0000
  5   0     0.9300     1.0000     0.0700     0.9723     0.9723    -0.0000
  6   0     0.9462     1.0000     0.0538     0.9998     0.9998    -0.0000
  7   0     0.9144     1.0000     0.0856     0.9701     0.9701     0.0000
  8   0     0.9092     1.0000     0.0908     0.9762     0.9762     0.0000
  9   0     0.9181     1.0000     0.0819     0.9759     0.9759    -0.0000
 10   0     0.9109     1.0000     0.0891     0.9758     0.9758     0.0000
 11   0     0.9363     1.0000     0.0637     0.9842     0.9842     0.0000
 12   0     0.9239     1.0000     0.0761     0.9741     0.9741     0.0000
 13   0     0.8967     1.0000     0.1033     0.9679     0.9679     0.0000
 14   0     0.9414     1.0000     0.0586     0.9896     0.9896     0.0000
 15   0     6.1781     6.0000    -0.1781     3.8425     3.8425     0.0000
 16   0     6.1846     6.0000    -0.1846     3.8797     3.8797     0.0000
 17   0     6.1392     6.0000    -0.1392     3.9058     3.9058     0.0000
 18   0     6.1894     6.0000    -0.1894     3.9193     3.9193     0.0000
 19   0     6.1248     6.0000    -0.1248     3.8826     3.8826     0.0000
 20   0     0.9358     1.0000     0.0642     0.9816     0.9816     0.0000
 21   0     0.9101     1.0000     0.0899     0.9663     0.9663     0.0000
 22   0     0.9321     1.0000     0.0679     0.9934     0.9934     0.0000
 23   0     0.9140     1.0000     0.0860     0.9735     0.9735     0.0000
 24   0     0.9203     1.0000     0.0797     0.9732     0.9732     0.0000
 25   0     0.9115     1.0000     0.0885     0.9798     0.9798    -0.0000
 26   0     0.9114     1.0000     0.0886     0.9746     0.9746    -0.0000
 27   0     0.9218     1.0000     0.0782     0.9774     0.9774     0.0000
 28   0     0.9163     1.0000     0.0837     0.9782     0.9782     0.0000
 29   0     0.9084     1.0000     0.0916     0.9772     0.9772     0.0000
 30   0     6.1458     6.0000    -0.1458     3.8773     3.8773    -0.0000
 31   0     6.1506     6.0000    -0.1506     3.8803     3.8803     0.0000
 32   0     6.1653     6.0000    -0.1653     3.8898     3.8898     0.0000
 33   0     6.1842     6.0000    -0.1842     3.8796     3.8796     0.0000
 34   0     6.1700     6.0000    -0.1700     3.9080     3.9080     0.0000
 35   0     0.9209     1.0000     0.0791     0.9756     0.9756    -0.0000
 36   0     0.9249     1.0000     0.0751     0.9780     0.9780    -0.0000
 37   0     0.9189     1.0000     0.0811     0.9747     0.9747     0.0000
 38   0     0.9102     1.0000     0.0898     0.9706     0.9706    -0.0000
 39   0     0.9494     1.0000     0.0506     0.9935     0.9935     0.0000
 40   0     0.9052     1.0000     0.0948     0.9800     0.9800    -0.0000
 41   0     0.9163     1.0000     0.0837     0.9732     0.9732    -0.0000
 42   0     0.9082     1.0000     0.0918     0.9735     0.9735     0.0000
 43   0     0.9110     1.0000     0.0890     0.9758     0.9758     0.0000
 44   0     0.9199     1.0000     0.0801     0.9769     0.9769     0.0000
 45   0     6.1750     6.0000    -0.1750     3.9286     3.9286     0.0000
 46   0     6.1629     6.0000    -0.1629     3.8867     3.8867     0.0000
 47   0     6.1357     6.0000    -0.1357     3.8763     3.8763    -0.0000
 48   0     6.2008     6.0000    -0.2008     3.9336     3.9336     0.0000
 49   0     6.1152     6.0000    -0.1152     3.8583     3.8583     0.0000
 50   0     0.9201     1.0000     0.0799     0.9877     0.9877     0.0000
 51   0     0.9186     1.0000     0.0814     0.9730     0.9730     0.0000
 52   0     0.9230     1.0000     0.0770     0.9817     0.9817     0.0000
 53   0     0.9193     1.0000     0.0807     0.9744     0.9744     0.0000
 54   0     0.9275     1.0000     0.0725     0.9756     0.9756     0.0000
 55   0     0.9231     1.0000     0.0769     0.9797     0.9797    -0.0000
 56   0     0.9121     1.0000     0.0879     0.9755     0.9755     0.0000
 57   0     0.9207     1.0000     0.0793     0.9783     0.9783     0.0000
 58   0     0.9239     1.0000     0.0761     0.9803     0.9803     0.0000
 59   0     0.9225     1.0000     0.0775     0.9833     0.9833     0.0000
 60   0     6.1820     6.0000    -0.1820     3.8599     3.8599     0.0000
 61   0     6.1929     6.0000    -0.1929     3.8858     3.8858     0.0000
 62   0     6.1487     6.0000    -0.1487     3.9142     3.9142     0.0000
 63   0     6.1500     6.0000    -0.1500     3.9236     3.9236    -0.0000
 64   0     6.1300     6.0000    -0.1300     3.8690     3.8690    -0.0000
 65   0     0.9199     1.0000     0.0801     0.9713     0.9713     0.0000
 66   0     0.9335     1.0000     0.0665     0.9832     0.9832     0.0000
 67   0     0.9169     1.0000     0.0831     0.9686     0.9686     0.0000
 68   0     0.9120     1.0000     0.0880     0.9764     0.9764     0.0000
 69   0     0.9222     1.0000     0.0778     0.9800     0.9800     0.0000
 70   0     0.9079     1.0000     0.0921     0.9725     0.9725     0.0000
 71   0     0.9246     1.0000     0.0754     0.9745     0.9745    -0.0000
 72   0     0.9143     1.0000     0.0857     0.9790     0.9790    -0.0000
 73   0     0.9104     1.0000     0.0896     0.9758     0.9758     0.0000
 74   0     0.9321     1.0000     0.0679     0.9813     0.9813     0.0000
 75   0     6.1861     6.0000    -0.1861     3.9250     3.9250     0.0000
 76   0     6.1541     6.0000    -0.1541     3.8946     3.8946     0.0000
 77   0     6.1540     6.0000    -0.1540     3.9036     3.9036    -0.0000
 78   0     6.1870     6.0000    -0.1870     3.8534     3.8534     0.0000
 79   0     6.1193     6.0000    -0.1193     3.8574     3.8574    -0.0000
 80   0     0.9170     1.0000     0.0830     0.9718     0.9718     0.0000
 81   0     0.9084     1.0000     0.0916     0.9771     0.9771     0.0000
 82   0     0.9213     1.0000     0.0787     0.9765     0.9765     0.0000
 83   0     0.9115     1.0000     0.0885     0.9791     0.9791     0.0000
 84   0     0.9168     1.0000     0.0832     0.9782     0.9782    -0.0000
 85   0     0.9227     1.0000     0.0773     0.9756     0.9756    -0.0000
 86   0     0.9326     1.0000     0.0674     0.9773     0.9773     0.0000
 87   0     0.9302     1.0000     0.0698     0.9805     0.9805     0.0000
 88   0     0.9053     1.0000     0.0947     0.9760     0.9760    -0.0000
 89   0     0.9355     1.0000     0.0645     0.9862     0.9862    -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                0.962928
                0             6               4            6                0.967479
                0             6               5            1                0.995348
                0             6               6            1                0.997860
                1             6               2            6                0.974629
                1             6               7            1                1.005587
                1             6               8            1                0.992066
                2             6               3            6                0.982226
                2             6               9            1                0.996176
                2             6              10            1                0.995634
                3             6               4            6                0.988922
                3             6              11            1                0.994395
                3             6              12            1                0.993909
                4             6              13            1                0.978165
                4             6              14            1                0.994137
               15             6              16            6                0.949346
               15             6              19            6                0.946882
               15             6              20            1                0.999398
               15             6              21            1                0.997792
               16             6              17            6                0.977440
               16             6              22            1                0.997725
               16             6              23            1                0.987462
               17             6              18            6                0.973097
               17             6              24            1                0.991327
               17             6              25            1                0.994796
               18             6              19            6                0.989331
               18             6              26            1                0.991294
               18             6              27            1                0.994270
               19             6              28            1                0.992747
               19             6              29            1                0.982138
               30             6              31            6                0.976431
               30             6              34            6                0.968538
               30             6              35            1                0.990296
               30             6              36            1                0.987826
               31             6              32            6                0.954581
               31             6              37            1                0.990824
               31             6              38            1                0.985607
               32             6              33            6                0.963719
               32             6              39            1                1.005091
               32             6              40            1                0.989320
               33             6              34            6                0.974889
               33             6              41            1                0.992135
               33             6              42            1                0.988426
               34             6              43            1                0.986128
               34             6              44            1                0.999501
               45             6              46            6                0.984442
               45             6              49            6                0.965646
               45             6              50            1                0.993590
               45             6              51            1                0.989299
               46             6              47            6                0.967419
               46             6              52            1                0.991661
               46             6              53            1                0.980526
               47             6              48            6                0.973991
               47             6              54            1                0.992473
               47             6              55            1                0.988551
               48             6              49            6                0.971724
               48             6              56            1                0.992190
               48             6              57            1                0.991942
               49             6              58            1                0.994708
               49             6              59            1                0.988981
               60             6              61            6                0.958523
               60             6              64            6                0.953096
               60             6              65            1                0.987162
               60             6              66            1                0.999652
               61             6              62            6                0.975792
               61             6              67            1                0.995980
               61             6              68            1                0.993723
               62             6              63            6                0.990969
               62             6              69            1                0.996028
               62             6              70            1                0.987060
               63             6              64            6                0.962102
               63             6              71            1                0.998412
               63             6              72            1                0.995003
               64             6              73            1                0.997866
               64             6              74            1                1.006090
               75             6              76            6                0.978258
               75             6              79            6                0.968190
               75             6              80            1                0.994682
               75             6              81            1                0.989055
               76             6              77            6                0.978720
               76             6              82            1                0.988889
               76             6              83            1                0.991446
               77             6              78            6                0.965528
               77             6              84            1                0.990611
               77             6              85            1                0.992376
               78             6              79            6                0.943439
               78             6              86            1                0.989344
               78             6              87            1                0.998114
               79             6              88            1                0.981963
               79             6              89            1                1.004030
# -----------------------------------------------------------
$ 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     6.0684     6.0000    -0.0684     3.9463     3.6329     0.3134
  1   0     6.2603     6.0000    -0.2603     4.0443     3.7085     0.3358
  2   0     6.1748     6.0000    -0.1748     4.0306     3.7068     0.3238
  3   0     6.1195     6.0000    -0.1195     4.0103     3.6850     0.3253
  4   0     6.1907     6.0000    -0.1907     4.0361     3.7014     0.3347
  5   0     0.9259     1.0000     0.0741     0.9827     0.9304     0.0523
  6   0     0.9421     1.0000     0.0579     1.0100     0.9581     0.0519
  7   0     0.9108     1.0000     0.0892     0.9800     0.9255     0.0545
  8   0     0.9054     1.0000     0.0946     0.9854     0.9308     0.0546
  9   0     0.9143     1.0000     0.0857     0.9852     0.9345     0.0507
 10   0     0.9072     1.0000     0.0928     0.9850     0.9307     0.0543
 11   0     0.9324     1.0000     0.0676     0.9945     0.9414     0.0531
 12   0     0.9198     1.0000     0.0802     0.9837     0.9307     0.0530
 13   0     0.8925     1.0000     0.1075     0.9765     0.9252     0.0513
 14   0     0.9368     1.0000     0.0632     0.9989     0.9440     0.0549
 15   0     6.1856     6.0000    -0.1856     3.9559     3.6304     0.3255
 16   0     6.1923     6.0000    -0.1923     3.9919     3.6634     0.3285
 17   0     6.1473     6.0000    -0.1473     4.0133     3.6920     0.3213
 18   0     6.1969     6.0000    -0.1969     4.0295     3.7077     0.3218
 19   0     6.1326     6.0000    -0.1326     3.9906     3.6684     0.3222
 20   0     0.9320     1.0000     0.0680     0.9922     0.9390     0.0532
 21   0     0.9061     1.0000     0.0939     0.9756     0.9239     0.0517
 22   0     0.9281     1.0000     0.0719     1.0026     0.9488     0.0538
 23   0     0.9102     1.0000     0.0898     0.9829     0.9293     0.0536
 24   0     0.9166     1.0000     0.0834     0.9829     0.9281     0.0548
 25   0     0.9075     1.0000     0.0925     0.9887     0.9399     0.0488
 26   0     0.9076     1.0000     0.0924     0.9839     0.9323     0.0516
 27   0     0.9179     1.0000     0.0821     0.9870     0.9360     0.0510
 28   0     0.9125     1.0000     0.0875     0.9875     0.9347     0.0528
 29   0     0.9046     1.0000     0.0954     0.9861     0.9338     0.0523
 30   0     6.1538     6.0000    -0.1538     3.9870     3.6680     0.3190
 31   0     6.1585     6.0000    -0.1585     3.9905     3.6634     0.3271
 32   0     6.1726     6.0000    -0.1726     3.9999     3.6726     0.3273
 33   0     6.1921     6.0000    -0.1921     3.9923     3.6605     0.3318
 34   0     6.1779     6.0000    -0.1779     4.0181     3.6966     0.3215
 35   0     0.9166     1.0000     0.0834     0.9849     0.9335     0.0514
 36   0     0.9217     1.0000     0.0783     0.9889     0.9351     0.0538
 37   0     0.9149     1.0000     0.0851     0.9842     0.9280     0.0562
 38   0     0.9061     1.0000     0.0939     0.9798     0.9268     0.0530
 39   0     0.9464     1.0000     0.0536     1.0052     0.9497     0.0555
 40   0     0.9013     1.0000     0.0987     0.9887     0.9395     0.0492
 41   0     0.9125     1.0000     0.0875     0.9829     0.9302     0.0527
 42   0     0.9042     1.0000     0.0958     0.9826     0.9307     0.0519
 43   0     0.9071     1.0000     0.0929     0.9849     0.9335     0.0514
 44   0     0.9161     1.0000     0.0839     0.9864     0.9355     0.0509
 45   0     6.1826     6.0000    -0.1826     4.0363     3.7179     0.3184
 46   0     6.1711     6.0000    -0.1711     3.9972     3.6735     0.3237
 47   0     6.1433     6.0000    -0.1433     3.9830     3.6700     0.3130
 48   0     6.2091     6.0000    -0.2091     4.0447     3.7200     0.3247
 49   0     6.1221     6.0000    -0.1221     3.9638     3.6512     0.3126
 50   0     0.9160     1.0000     0.0840     0.9966     0.9503     0.0463
 51   0     0.9148     1.0000     0.0852     0.9826     0.9283     0.0543
 52   0     0.9190     1.0000     0.0810     0.9910     0.9401     0.0509
 53   0     0.9155     1.0000     0.0845     0.9841     0.9278     0.0563
 54   0     0.9235     1.0000     0.0765     0.9855     0.9325     0.0530
 55   0     0.9190     1.0000     0.0810     0.9891     0.9383     0.0508
 56   0     0.9081     1.0000     0.0919     0.9845     0.9337     0.0508
 57   0     0.9170     1.0000     0.0830     0.9880     0.9345     0.0535
 58   0     0.9198     1.0000     0.0802     0.9898     0.9393     0.0505
 59   0     0.9195     1.0000     0.0805     0.9945     0.9427     0.0518
 60   0     6.1896     6.0000    -0.1896     3.9717     3.6500     0.3217
 61   0     6.2008     6.0000    -0.2008     3.9987     3.6694     0.3293
 62   0     6.1566     6.0000    -0.1566     4.0215     3.6996     0.3219
 63   0     6.1582     6.0000    -0.1582     4.0308     3.7148     0.3160
 64   0     6.1381     6.0000    -0.1381     3.9776     3.6658     0.3118
 65   0     0.9158     1.0000     0.0842     0.9806     0.9274     0.0532
 66   0     0.9293     1.0000     0.0707     0.9927     0.9405     0.0522
 67   0     0.9129     1.0000     0.0871     0.9781     0.9218     0.0563
 68   0     0.9081     1.0000     0.0919     0.9855     0.9307     0.0548
 69   0     0.9183     1.0000     0.0817     0.9894     0.9372     0.0522
 70   0     0.9042     1.0000     0.0958     0.9817     0.9287     0.0530
 71   0     0.9208     1.0000     0.0792     0.9842     0.9319     0.0523
 72   0     0.9105     1.0000     0.0895     0.9883     0.9381     0.0502
 73   0     0.9064     1.0000     0.0936     0.9847     0.9374     0.0473
 74   0     0.9281     1.0000     0.0719     0.9911     0.9409     0.0502
 75   0     6.1939     6.0000    -0.1939     4.0347     3.7109     0.3238
 76   0     6.1619     6.0000    -0.1619     4.0032     3.6805     0.3227
 77   0     6.1612     6.0000    -0.1612     4.0098     3.6928     0.3170
 78   0     6.1948     6.0000    -0.1948     3.9662     3.6372     0.3290
 79   0     6.1268     6.0000    -0.1268     3.9655     3.6467     0.3188
 80   0     0.9131     1.0000     0.0869     0.9812     0.9290     0.0522
 81   0     0.9047     1.0000     0.0953     0.9864     0.9341     0.0523
 82   0     0.9176     1.0000     0.0824     0.9862     0.9326     0.0536
 83   0     0.9077     1.0000     0.0923     0.9882     0.9383     0.0499
 84   0     0.9128     1.0000     0.0872     0.9874     0.9368     0.0506
 85   0     0.9188     1.0000     0.0812     0.9852     0.9324     0.0528
 86   0     0.9285     1.0000     0.0715     0.9873     0.9310     0.0563
 87   0     0.9266     1.0000     0.0734     0.9910     0.9366     0.0544
 88   0     0.9013     1.0000     0.0987     0.9849     0.9347     0.0502
 89   0     0.9318     1.0000     0.0682     0.9964     0.9435     0.0529
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.898655
                0             6               4            6                0.906636
                0             6               5            1                0.953677
                0             6               6            1                0.956833
                1             6               2            6                0.909874
                1             6               7            1                0.961690
                1             6               8            1                0.947793
                2             6               3            6                0.919421
                2             6               9            1                0.955865
                2             6              10            1                0.951974
                3             6               4            6                0.919847
                3             6              11            1                0.952720
                3             6              12            1                0.951275
                4             6              13            1                0.936524
                4             6              14            1                0.949437
               15             6              16            6                0.886847
               15             6              19            6                0.883386
               15             6              20            1                0.957643
               15             6              21            1                0.956083
               16             6              17            6                0.913704
               16             6              22            1                0.954316
               16             6              23            1                0.944384
               17             6              18            6                0.908675
               17             6              24            1                0.947331
               17             6              25            1                0.956284
               18             6              19            6                0.926354
               18             6              26            1                0.950398
               18             6              27            1                0.954219
               19             6              28            1                0.950680
               19             6              29            1                0.940508
               30             6              31            6                0.914415
               30             6              34            6                0.907242
               30             6              35            1                0.949681
               30             6              36            1                0.946130
               31             6              32            6                0.890771
               31             6              37            1                0.945525
               31             6              38            1                0.943352
               32             6              33            6                0.896417
               32             6              39            1                0.962245
               32             6              40            1                0.950205
               33             6              34            6                0.909222
               33             6              41            1                0.950309
               33             6              42            1                0.947059
               34             6              43            1                0.945366
               34             6              44            1                0.959392
               45             6              46            6                0.919056
               45             6              49            6                0.904031
               45             6              50            1                0.957673
               45             6              51            1                0.945966
               46             6              47            6                0.908024
               46             6              52            1                0.951635
               46             6              53            1                0.935766
               47             6              48            6                0.911744
               47             6              54            1                0.950787
               47             6              55            1                0.948769
               48             6              49            6                0.907858
               48             6              56            1                0.951711
               48             6              57            1                0.949565
               49             6              58            1                0.954840
               49             6              59            1                0.949785
               60             6              61            6                0.898787
               60             6              64            6                0.890854
               60             6              65            1                0.944387
               60             6              66            1                0.957644
               61             6              62            6                0.911792
               61             6              67            1                0.950199
               61             6              68            1                0.949438
               62             6              63            6                0.927932
               62             6              69            1                0.954295
               62             6              70            1                0.944797
               63             6              64            6                0.900714
               63             6              71            1                0.956922
               63             6              72            1                0.955402
               64             6              73            1                0.960433
               64             6              74            1                0.966505
               75             6              76            6                0.913092
               75             6              79            6                0.906302
               75             6              80            1                0.952922
               75             6              81            1                0.947579
               76             6              77            6                0.915057
               76             6              82            1                0.946302
               76             6              83            1                0.951986
               77             6              78            6                0.903596
               77             6              84            1                0.950579
               77             6              85            1                0.950412
               78             6              79            6                0.879977
               78             6              86            1                0.944335
               78             6              87            1                0.955106
               79             6              88            1                0.942130
               79             6              89            1                0.961868
# -----------------------------------------------------------
$ 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     6.1324     6.0000    -0.1324     3.9460     3.6371     0.3089
  1   0     6.2997     6.0000    -0.2997     4.0187     3.6877     0.3310
  2   0     6.2238     6.0000    -0.2238     4.0154     3.6960     0.3194
  3   0     6.1789     6.0000    -0.1789     3.9892     3.6680     0.3212
  4   0     6.2450     6.0000    -0.2450     4.0193     3.6894     0.3299
  5   0     0.9036     1.0000     0.0964     0.9819     0.9309     0.0510
  6   0     0.9104     1.0000     0.0896     0.9984     0.9480     0.0504
  7   0     0.8846     1.0000     0.1154     0.9735     0.9203     0.0532
  8   0     0.8783     1.0000     0.1217     0.9755     0.9222     0.0533
  9   0     0.8888     1.0000     0.1112     0.9769     0.9273     0.0496
 10   0     0.8834     1.0000     0.1166     0.9765     0.9233     0.0532
 11   0     0.9053     1.0000     0.0947     0.9913     0.9395     0.0518
 12   0     0.8940     1.0000     0.1060     0.9757     0.9238     0.0519
 13   0     0.8720     1.0000     0.1280     0.9736     0.9234     0.0502
 14   0     0.9047     1.0000     0.0953     0.9877     0.9342     0.0535
 15   0     6.2374     6.0000    -0.2374     3.9475     3.6264     0.3211
 16   0     6.2424     6.0000    -0.2424     3.9834     3.6594     0.3240
 17   0     6.1950     6.0000    -0.1950     3.9988     3.6817     0.3171
 18   0     6.2428     6.0000    -0.2428     4.0122     3.6944     0.3178
 19   0     6.1827     6.0000    -0.1827     3.9839     3.6658     0.3181
 20   0     0.9047     1.0000     0.0953     0.9848     0.9329     0.0519
 21   0     0.8792     1.0000     0.1208     0.9670     0.9166     0.0504
 22   0     0.8968     1.0000     0.1032     0.9907     0.9382     0.0525
 23   0     0.8865     1.0000     0.1135     0.9753     0.9227     0.0526
 24   0     0.8944     1.0000     0.1056     0.9760     0.9221     0.0539
 25   0     0.8863     1.0000     0.1137     0.9820     0.9341     0.0479
 26   0     0.8829     1.0000     0.1171     0.9743     0.9238     0.0505
 27   0     0.8931     1.0000     0.1069     0.9781     0.9281     0.0500
 28   0     0.8905     1.0000     0.1095     0.9796     0.9277     0.0519
 29   0     0.8827     1.0000     0.1173     0.9782     0.9268     0.0514
 30   0     6.2111     6.0000    -0.2111     3.9816     3.6670     0.3146
 31   0     6.1959     6.0000    -0.1959     3.9691     3.6467     0.3224
 32   0     6.2299     6.0000    -0.2299     3.9958     3.6727     0.3231
 33   0     6.2338     6.0000    -0.2338     3.9789     3.6512     0.3277
 34   0     6.2238     6.0000    -0.2238     3.9949     3.6776     0.3173
 35   0     0.8919     1.0000     0.1081     0.9756     0.9253     0.0503
 36   0     0.8953     1.0000     0.1047     0.9847     0.9322     0.0525
 37   0     0.8913     1.0000     0.1087     0.9786     0.9236     0.0550
 38   0     0.8869     1.0000     0.1131     0.9739     0.9219     0.0520
 39   0     0.9124     1.0000     0.0876     0.9988     0.9448     0.0540
 40   0     0.8808     1.0000     0.1192     0.9798     0.9316     0.0482
 41   0     0.8889     1.0000     0.1111     0.9759     0.9243     0.0516
 42   0     0.8832     1.0000     0.1168     0.9758     0.9249     0.0509
 43   0     0.8833     1.0000     0.1167     0.9769     0.9265     0.0504
 44   0     0.8913     1.0000     0.1087     0.9773     0.9274     0.0499
 45   0     6.2244     6.0000    -0.2244     4.0124     3.6983     0.3141
 46   0     6.2160     6.0000    -0.2160     3.9780     3.6587     0.3193
 47   0     6.1978     6.0000    -0.1978     3.9735     3.6647     0.3088
 48   0     6.2479     6.0000    -0.2479     4.0152     3.6946     0.3206
 49   0     6.1826     6.0000    -0.1826     3.9657     3.6570     0.3087
 50   0     0.8918     1.0000     0.1082     0.9891     0.9439     0.0452
 51   0     0.8927     1.0000     0.1073     0.9764     0.9230     0.0534
 52   0     0.8929     1.0000     0.1071     0.9813     0.9315     0.0498
 53   0     0.8930     1.0000     0.1070     0.9788     0.9235     0.0553
 54   0     0.8988     1.0000     0.1012     0.9777     0.9258     0.0519
 55   0     0.8931     1.0000     0.1069     0.9805     0.9308     0.0497
 56   0     0.8852     1.0000     0.1148     0.9760     0.9262     0.0498
 57   0     0.8936     1.0000     0.1064     0.9817     0.9293     0.0524
 58   0     0.8949     1.0000     0.1051     0.9810     0.9316     0.0494
 59   0     0.8955     1.0000     0.1045     0.9903     0.9396     0.0507
 60   0     6.2469     6.0000    -0.2469     3.9653     3.6480     0.3173
 61   0     6.2366     6.0000    -0.2366     3.9884     3.6642     0.3242
 62   0     6.2104     6.0000    -0.2104     4.0078     3.6899     0.3179
 63   0     6.2109     6.0000    -0.2109     4.0122     3.7001     0.3121
 64   0     6.1984     6.0000    -0.1984     3.9581     3.6501     0.3080
 65   0     0.8904     1.0000     0.1096     0.9745     0.9226     0.0519
 66   0     0.8957     1.0000     0.1043     0.9801     0.9294     0.0507
 67   0     0.8902     1.0000     0.1098     0.9727     0.9175     0.0552
 68   0     0.8838     1.0000     0.1162     0.9771     0.9235     0.0536
 69   0     0.8919     1.0000     0.1081     0.9786     0.9275     0.0511
 70   0     0.8822     1.0000     0.1178     0.9752     0.9232     0.0520
 71   0     0.8950     1.0000     0.1050     0.9758     0.9246     0.0512
 72   0     0.8856     1.0000     0.1144     0.9793     0.9302     0.0491
 73   0     0.8800     1.0000     0.1200     0.9792     0.9331     0.0461
 74   0     0.8995     1.0000     0.1005     0.9813     0.9322     0.0491
 75   0     6.2388     6.0000    -0.2388     4.0152     3.6955     0.3197
 76   0     6.2115     6.0000    -0.2115     3.9873     3.6686     0.3187
 77   0     6.2081     6.0000    -0.2081     3.9838     3.6710     0.3128
 78   0     6.2500     6.0000    -0.2500     3.9477     3.6233     0.3244
 79   0     6.1841     6.0000    -0.1841     3.9579     3.6432     0.3147
 80   0     0.8886     1.0000     0.1114     0.9739     0.9227     0.0512
 81   0     0.8826     1.0000     0.1174     0.9782     0.9269     0.0513
 82   0     0.8937     1.0000     0.1063     0.9780     0.9254     0.0526
 83   0     0.8842     1.0000     0.1158     0.9801     0.9312     0.0489
 84   0     0.8882     1.0000     0.1118     0.9803     0.9307     0.0496
 85   0     0.8941     1.0000     0.1059     0.9789     0.9271     0.0518
 86   0     0.8995     1.0000     0.1005     0.9785     0.9235     0.0550
 87   0     0.8944     1.0000     0.1056     0.9810     0.9281     0.0529
 88   0     0.8804     1.0000     0.1196     0.9790     0.9298     0.0492
 89   0     0.9026     1.0000     0.0974     0.9866     0.9349     0.0517
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.906940
                0             6               4            6                0.919713
                0             6               5            1                0.939596
                0             6               6            1                0.945302
                1             6               2            6                0.914860
                1             6               7            1                0.945753
                1             6               8            1                0.930654
                2             6               3            6                0.931623
                2             6               9            1                0.943178
                2             6              10            1                0.933597
                3             6               4            6                0.915630
                3             6              11            1                0.937016
                3             6              12            1                0.940849
                4             6              13            1                0.924770
                4             6              14            1                0.937821
               15             6              16            6                0.899195
               15             6              19            6                0.896906
               15             6              20            1                0.939914
               15             6              21            1                0.943059
               16             6              17            6                0.923084
               16             6              22            1                0.939874
               16             6              23            1                0.931510
               17             6              18            6                0.917994
               17             6              24            1                0.931087
               17             6              25            1                0.945116
               18             6              19            6                0.935680
               18             6              26            1                0.935697
               18             6              27            1                0.941018
               19             6              28            1                0.936547
               19             6              29            1                0.926990
               30             6              31            6                0.925676
               30             6              34            6                0.915785
               30             6              35            1                0.934226
               30             6              36            1                0.934860
               31             6              32            6                0.902014
               31             6              37            1                0.929303
               31             6              38            1                0.929358
               32             6              33            6                0.905943
               32             6              39            1                0.949949
               32             6              40            1                0.935896
               33             6              34            6                0.916474
               33             6              41            1                0.938157
               33             6              42            1                0.934953
               34             6              43            1                0.931717
               34             6              44            1                0.945188
               45             6              46            6                0.920537
               45             6              49            6                0.916346
               45             6              50            1                0.949142
               45             6              51            1                0.930776
               46             6              47            6                0.924834
               46             6              52            1                0.939455
               46             6              53            1                0.920209
               47             6              48            6                0.918011
               47             6              54            1                0.935226
               47             6              55            1                0.935872
               48             6              49            6                0.917572
               48             6              56            1                0.937540
               48             6              57            1                0.934790
               49             6              58            1                0.943760
               49             6              59            1                0.940103
               60             6              61            6                0.914609
               60             6              64            6                0.891063
               60             6              65            1                0.932258
               60             6              66            1                0.946024
               61             6              62            6                0.924197
               61             6              67            1                0.932468
               61             6              68            1                0.934706
               62             6              63            6                0.933585
               62             6              69            1                0.939482
               62             6              70            1                0.930215
               63             6              64            6                0.910112
               63             6              71            1                0.942851
               63             6              72            1                0.941520
               64             6              73            1                0.951527
               64             6              74            1                0.951598
               75             6              76            6                0.919659
               75             6              79            6                0.916110
               75             6              80            1                0.941803
               75             6              81            1                0.932516
               76             6              77            6                0.921684
               76             6              82            1                0.932507
               76             6              83            1                0.941171
               77             6              78            6                0.907236
               77             6              84            1                0.939053
               77             6              85            1                0.938755
               78             6              79            6                0.888911
               78             6              86            1                0.929014
               78             6              87            1                0.944577
               79             6              88            1                0.931553
               79             6              89            1                0.949179
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2008375171
        Correlation Energy:       -5.0686906729
        Total MP2 Energy:      -1176.2695281900
# -----------------------------------------------------------
$ 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) :        0.2178241592
        Electronic Contribution:
                  0    
      0       0.070794
      1       0.070776
      2       0.530734
        Nuclear Contribution:
                  0    
      0      -0.128534
      1      -0.008033
      2      -0.522170
        Total Dipole moment:
                  0    
      0      -0.057740
      1       0.062743
      2       0.008563
# -----------------------------------------------------------
$ 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) :        0.2149855020
        Electronic Contribution:
                  0    
      0       0.071307
      1       0.069966
      2       0.528748
        Nuclear Contribution:
                  0    
      0      -0.128534
      1      -0.008033
      2      -0.522170
        Total Dipole moment:
                  0    
      0      -0.057227
      1       0.061932
      2       0.006577
# -----------------------------------------------------------
$ 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) :        0.1815855738
        Electronic Contribution:
                  0    
      0       0.086563
      1       0.060420
      2       0.497722
        Nuclear Contribution:
                  0    
      0      -0.128534
      1      -0.008033
      2      -0.522170
        Total Dipole moment:
                  0    
      0      -0.041971
      1       0.052387
      2      -0.024449
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     13.850000000000   21.550000000000   18.410000000000
               1 C     12.850000000000   20.980000000000   17.350000000000
               2 C     13.650000000000   20.550000000000   16.060000000000
               3 C     15.100000000000   20.630000000000   16.510000000000
               4 C     15.250000000000   21.340000000000   17.950000000000
               5 H     13.830000000000   21.060000000000   19.360000000000
               6 H     13.620000000000   22.580000000000   18.470000000000
               7 H     12.080000000000   21.720000000000   17.090000000000
               8 H     12.150000000000   20.230000000000   17.800000000000
               9 H     13.460000000000   21.190000000000   15.230000000000
              10 H     13.450000000000   19.530000000000   15.610000000000
              11 H     15.750000000000   21.150000000000   15.820000000000
              12 H     15.350000000000   19.570000000000   16.590000000000
              13 H     15.890000000000   22.240000000000   17.880000000000
              14 H     15.630000000000   20.540000000000   18.630000000000
              15 C     18.550000000000   21.310000000000   15.840000000000
              16 C     18.740000000000   22.650000000000   16.590000000000
              17 C     20.000000000000   23.300000000000   15.980000000000
              18 C     20.510000000000   22.310000000000   14.880000000000
              19 C     19.830000000000   20.930000000000   15.040000000000
              20 H     17.640000000000   21.410000000000   15.280000000000
              21 H     18.280000000000   20.500000000000   16.500000000000
              22 H     18.900000000000   22.470000000000   17.680000000000
              23 H     17.940000000000   23.420000000000   16.480000000000
              24 H     20.780000000000   23.330000000000   16.810000000000
              25 H     19.840000000000   24.230000000000   15.500000000000
              26 H     21.580000000000   22.130000000000   14.800000000000
              27 H     20.270000000000   22.770000000000   13.950000000000
              28 H     20.330000000000   20.210000000000   15.730000000000
              29 H     19.510000000000   20.440000000000   14.090000000000
              30 C     18.080000000000   21.270000000000   20.300000000000
              31 C     17.100000000000   22.200000000000   21.000000000000
              32 C     15.900000000000   21.350000000000   21.540000000000
              33 C     16.490000000000   19.850000000000   21.570000000000
              34 C     17.950000000000   19.910000000000   20.980000000000
              35 H     19.090000000000   21.650000000000   20.420000000000
              36 H     17.880000000000   21.250000000000   19.230000000000
              37 H     16.690000000000   22.940000000000   20.220000000000
              38 H     17.640000000000   22.730000000000   21.830000000000
              39 H     15.040000000000   21.440000000000   20.890000000000
              40 H     15.520000000000   21.590000000000   22.500000000000
              41 H     15.920000000000   19.180000000000   20.920000000000
              42 H     16.530000000000   19.450000000000   22.600000000000
              43 H     18.230000000000   19.100000000000   20.300000000000
              44 H     18.590000000000   19.800000000000   21.830000000000
              45 C      8.650000000000   19.210000000000   15.420000000000
              46 C      9.360000000000   19.420000000000   14.040000000000
              47 C      9.220000000000   20.870000000000   13.730000000000
              48 C      9.190000000000   21.640000000000   15.050000000000
              49 C      8.810000000000   20.550000000000   16.110000000000
              50 H      9.150000000000   18.450000000000   15.830000000000
              51 H      7.520000000000   19.050000000000   15.340000000000
              52 H      8.820000000000   18.830000000000   13.330000000000
              53 H     10.490000000000   19.110000000000   14.040000000000
              54 H      8.280000000000   20.970000000000   13.160000000000
              55 H     10.020000000000   21.260000000000   13.130000000000
              56 H      8.480000000000   22.460000000000   14.980000000000
              57 H     10.180000000000   22.120000000000   15.210000000000
              58 H      7.840000000000   20.810000000000   16.470000000000
              59 H      9.530000000000   20.430000000000   16.870000000000
              60 C     11.580000000000   23.200000000000   20.390000000000
              61 C     12.290000000000   24.470000000000   20.070000000000
              62 C     11.510000000000   25.680000000000   20.690000000000
              63 C     10.170000000000   25.110000000000   21.150000000000
              64 C     10.280000000000   23.580000000000   21.100000000000
              65 H     12.120000000000   22.500000000000   21.060000000000
              66 H     11.290000000000   22.710000000000   19.470000000000
              67 H     12.330000000000   24.460000000000   18.920000000000
              68 H     13.360000000000   24.520000000000   20.460000000000
              69 H     11.230000000000   26.440000000000   19.970000000000
              70 H     12.130000000000   26.220000000000   21.460000000000
              71 H      9.350000000000   25.380000000000   20.480000000000
              72 H      9.930000000000   25.590000000000   22.070000000000
              73 H      9.490000000000   23.080000000000   20.680000000000
              74 H     10.400000000000   23.240000000000   22.080000000000
              75 C      9.170000000000   18.950000000000   22.710000000000
              76 C      9.990000000000   17.690000000000   22.220000000000
              77 C     10.780000000000   18.130000000000   20.950000000000
              78 C     10.240000000000   19.480000000000   20.520000000000
              79 C      9.330000000000   20.050000000000   21.640000000000
              80 H      9.620000000000   19.340000000000   23.630000000000
              81 H      8.120000000000   18.670000000000   22.950000000000
              82 H      9.280000000000   16.880000000000   21.920000000000
              83 H     10.620000000000   17.320000000000   23.000000000000
              84 H     10.620000000000   17.480000000000   20.110000000000
              85 H     11.850000000000   18.250000000000   21.210000000000
              86 H      9.720000000000   19.370000000000   19.500000000000
              87 H     11.090000000000   20.140000000000   20.330000000000
              88 H      8.450000000000   20.540000000000   21.240000000000
              89 H      9.960000000000   20.840000000000   21.990000000000
