-------------------------------------------------------------
----------------------- !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:    -1171.1592877891
# -----------------------------------------------------------
$ 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     6.1432     6.0000    -0.1432     3.8558     3.8558     0.0000
  1   0     6.1843     6.0000    -0.1843     3.8828     3.8828    -0.0000
  2   0     6.1018     6.0000    -0.1018     3.8955     3.8955    -0.0000
  3   0     6.1457     6.0000    -0.1457     3.9335     3.9335    -0.0000
  4   0     6.1813     6.0000    -0.1813     3.9392     3.9392    -0.0000
  5   0     0.9169     1.0000     0.0831     0.9706     0.9706     0.0000
  6   0     0.9120     1.0000     0.0880     0.9712     0.9712    -0.0000
  7   0     0.9532     1.0000     0.0468     0.9825     0.9825    -0.0000
  8   0     0.9204     1.0000     0.0796     0.9701     0.9701    -0.0000
  9   0     0.9553     1.0000     0.0447     0.9959     0.9959    -0.0000
 10   0     0.9262     1.0000     0.0738     0.9757     0.9757     0.0000
 11   0     0.9114     1.0000     0.0886     0.9800     0.9800    -0.0000
 12   0     0.9213     1.0000     0.0787     0.9825     0.9825     0.0000
 13   0     0.9084     1.0000     0.0916     0.9779     0.9779    -0.0000
 14   0     0.9213     1.0000     0.0787     0.9746     0.9746     0.0000
 15   0     6.1660     6.0000    -0.1660     3.8722     3.8722     0.0000
 16   0     6.1464     6.0000    -0.1464     3.9311     3.9311    -0.0000
 17   0     6.1523     6.0000    -0.1523     3.8890     3.8890     0.0000
 18   0     6.1558     6.0000    -0.1558     3.8349     3.8349     0.0000
 19   0     6.1829     6.0000    -0.1829     3.9368     3.9368    -0.0000
 20   0     0.9224     1.0000     0.0776     0.9767     0.9767    -0.0000
 21   0     0.9207     1.0000     0.0793     0.9786     0.9786    -0.0000
 22   0     0.9237     1.0000     0.0763     0.9775     0.9775     0.0000
 23   0     0.9140     1.0000     0.0860     0.9774     0.9774    -0.0000
 24   0     0.9251     1.0000     0.0749     0.9730     0.9730     0.0000
 25   0     0.9266     1.0000     0.0734     0.9812     0.9812    -0.0000
 26   0     0.9361     1.0000     0.0639     0.9812     0.9812     0.0000
 27   0     0.8973     1.0000     0.1027     0.9691     0.9691     0.0000
 28   0     0.9177     1.0000     0.0823     0.9744     0.9744    -0.0000
 29   0     0.9067     1.0000     0.0933     0.9820     0.9820    -0.0000
 30   0     6.1455     6.0000    -0.1455     3.9201     3.9201     0.0000
 31   0     6.1750     6.0000    -0.1750     3.8901     3.8901    -0.0000
 32   0     6.1847     6.0000    -0.1847     3.8924     3.8924    -0.0000
 33   0     6.1515     6.0000    -0.1515     3.9354     3.9354    -0.0000
 34   0     6.0914     6.0000    -0.0914     3.8903     3.8903    -0.0000
 35   0     0.9297     1.0000     0.0703     0.9846     0.9846    -0.0000
 36   0     0.9158     1.0000     0.0842     0.9717     0.9717    -0.0000
 37   0     0.9124     1.0000     0.0876     0.9747     0.9747    -0.0000
 38   0     0.9432     1.0000     0.0568     0.9896     0.9896    -0.0000
 39   0     0.9108     1.0000     0.0892     0.9800     0.9800    -0.0000
 40   0     0.9234     1.0000     0.0766     0.9793     0.9793    -0.0000
 41   0     0.9174     1.0000     0.0826     0.9759     0.9759    -0.0000
 42   0     0.9264     1.0000     0.0736     0.9777     0.9777    -0.0000
 43   0     0.9167     1.0000     0.0833     0.9797     0.9797    -0.0000
 44   0     0.9564     1.0000     0.0436     0.9998     0.9998    -0.0000
 45   0     6.2050     6.0000    -0.2050     3.9126     3.9126     0.0000
 46   0     6.1148     6.0000    -0.1148     3.8756     3.8756    -0.0000
 47   0     6.0977     6.0000    -0.0977     3.9348     3.9348    -0.0000
 48   0     6.1537     6.0000    -0.1537     3.8765     3.8765    -0.0000
 49   0     6.1758     6.0000    -0.1758     3.8615     3.8615     0.0000
 50   0     0.9231     1.0000     0.0769     0.9801     0.9801    -0.0000
 51   0     0.9063     1.0000     0.0937     0.9721     0.9721     0.0000
 52   0     0.9748     1.0000     0.0252     0.9898     0.9898     0.0000
 53   0     0.9357     1.0000     0.0643     0.9876     0.9876    -0.0000
 54   0     0.9155     1.0000     0.0845     0.9725     0.9725     0.0000
 55   0     0.9036     1.0000     0.0964     0.9818     0.9818     0.0000
 56   0     0.9098     1.0000     0.0902     0.9780     0.9780     0.0000
 57   0     0.9382     1.0000     0.0618     0.9800     0.9800     0.0000
 58   0     0.9361     1.0000     0.0639     0.9726     0.9726     0.0000
 59   0     0.9083     1.0000     0.0917     0.9808     0.9808     0.0000
 60   0     6.1242     6.0000    -0.1242     3.8736     3.8736    -0.0000
 61   0     6.1771     6.0000    -0.1771     3.8751     3.8751     0.0000
 62   0     6.1733     6.0000    -0.1733     3.8504     3.8504     0.0000
 63   0     6.1695     6.0000    -0.1695     3.9242     3.9242    -0.0000
 64   0     6.1435     6.0000    -0.1435     3.9321     3.9321    -0.0000
 65   0     0.9319     1.0000     0.0681     0.9855     0.9855    -0.0000
 66   0     0.9493     1.0000     0.0507     0.9971     0.9971     0.0000
 67   0     0.9403     1.0000     0.0597     0.9965     0.9965    -0.0000
 68   0     0.9118     1.0000     0.0882     0.9747     0.9747     0.0000
 69   0     0.9131     1.0000     0.0869     0.9770     0.9770     0.0000
 70   0     0.9104     1.0000     0.0896     0.9673     0.9673     0.0000
 71   0     0.9088     1.0000     0.0912     0.9744     0.9744     0.0000
 72   0     0.9251     1.0000     0.0749     0.9743     0.9743    -0.0000
 73   0     0.9228     1.0000     0.0772     0.9759     0.9759     0.0000
 74   0     0.9045     1.0000     0.0955     0.9715     0.9715     0.0000
 75   0     6.2021     6.0000    -0.2021     3.8782     3.8782    -0.0000
 76   0     6.1356     6.0000    -0.1356     3.9058     3.9058    -0.0000
 77   0     6.1664     6.0000    -0.1664     3.9073     3.9073    -0.0000
 78   0     6.1518     6.0000    -0.1518     3.8712     3.8712    -0.0000
 79   0     6.1621     6.0000    -0.1621     3.9003     3.9003    -0.0000
 80   0     0.9107     1.0000     0.0893     0.9731     0.9731    -0.0000
 81   0     0.9276     1.0000     0.0724     0.9701     0.9701    -0.0000
 82   0     0.9199     1.0000     0.0801     0.9767     0.9767    -0.0000
 83   0     0.9103     1.0000     0.0897     0.9750     0.9750    -0.0000
 84   0     0.9194     1.0000     0.0806     0.9806     0.9806    -0.0000
 85   0     0.9108     1.0000     0.0892     0.9772     0.9772    -0.0000
 86   0     0.9265     1.0000     0.0735     0.9785     0.9785     0.0000
 87   0     0.9246     1.0000     0.0754     0.9767     0.9767    -0.0000
 88   0     0.9226     1.0000     0.0774     0.9770     0.9770     0.0000
 89   0     0.9090     1.0000     0.0910     0.9790     0.9790    -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                0.949595
                0             6               4            6                0.973720
                0             6               5            1                0.993895
                0             6               6            1                0.994113
                1             6               2            6                0.974643
                1             6               7            1                0.999417
                1             6               8            1                0.991443
                2             6               3            6                0.984694
                2             6               9            1                0.992903
                2             6              10            1                0.992366
                3             6               4            6                0.985095
                3             6              11            1                0.985198
                3             6              12            1                0.999977
                4             6              13            1                0.980820
                4             6              14            1                0.998572
               15             6              16            6                0.962785
               15             6              19            6                0.974648
               15             6              20            1                0.994110
               15             6              21            1                0.994496
               16             6              17            6                0.993222
               16             6              22            1                0.998179
               16             6              23            1                0.989858
               17             6              18            6                0.946515
               17             6              24            1                0.996675
               17             6              25            1                0.985134
               18             6              19            6                0.971970
               18             6              26            1                1.006020
               18             6              27            1                0.979865
               19             6              28            1                0.997324
               19             6              29            1                0.988543
               30             6              31            6                0.997962
               30             6              34            6                0.964339
               30             6              35            1                0.997350
               30             6              36            1                0.980621
               31             6              32            6                0.943308
               31             6              37            1                0.989344
               31             6              38            1                0.988305
               32             6              33            6                0.984480
               32             6              39            1                0.996033
               32             6              40            1                1.001214
               33             6              34            6                0.972429
               33             6              41            1                0.990412
               33             6              42            1                0.994215
               34             6              43            1                0.984014
               34             6              44            1                1.018400
               45             6              46            6                0.969537
               45             6              49            6                0.967215
               45             6              50            1                0.990076
               45             6              51            1                0.992405
               46             6              47            6                0.973047
               46             6              52            1                0.993101
               46             6              53            1                0.999943
               47             6              48            6                0.977244
               47             6              54            1                0.984411
               47             6              55            1                0.986078
               48             6              49            6                0.945584
               48             6              56            1                0.988071
               48             6              57            1                1.000873
               49             6              58            1                1.002590
               49             6              59            1                1.000709
               60             6              61            6                0.961469
               60             6              64            6                0.966421
               60             6              65            1                0.990242
               60             6              66            1                1.016102
               61             6              62            6                0.958693
               61             6              67            1                0.995934
               61             6              68            1                0.989516
               62             6              63            6                0.962500
               62             6              69            1                0.994285
               62             6              70            1                0.996294
               63             6              64            6                0.996229
               63             6              71            1                0.994090
               63             6              72            1                1.005830
               64             6              73            1                0.994414
               64             6              74            1                0.991770
               75             6              76            6                0.963702
               75             6              79            6                0.969236
               75             6              80            1                0.988282
               75             6              81            1                1.001870
               76             6              77            6                0.985248
               76             6              82            1                1.000907
               76             6              83            1                0.980036
               77             6              78            6                0.960695
               77             6              84            1                0.996967
               77             6              85            1                0.982725
               78             6              79            6                0.975029
               78             6              86            1                0.993392
               78             6              87            1                0.991129
               79             6              88            1                0.992989
               79             6              89            1                0.985132
# -----------------------------------------------------------
$ 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     6.1518     6.0000    -0.1518     3.9669     3.6500     0.3169
  1   0     6.1908     6.0000    -0.1908     3.9907     3.6735     0.3172
  2   0     6.1101     6.0000    -0.1101     4.0026     3.6807     0.3219
  3   0     6.1536     6.0000    -0.1536     4.0416     3.7195     0.3221
  4   0     6.1899     6.0000    -0.1899     4.0497     3.7181     0.3316
  5   0     0.9125     1.0000     0.0875     0.9798     0.9274     0.0524
  6   0     0.9080     1.0000     0.0920     0.9806     0.9322     0.0484
  7   0     0.9512     1.0000     0.0488     0.9969     0.9400     0.0569
  8   0     0.9160     1.0000     0.0840     0.9793     0.9275     0.0518
  9   0     0.9513     1.0000     0.0487     1.0069     0.9507     0.0562
 10   0     0.9218     1.0000     0.0782     0.9849     0.9306     0.0543
 11   0     0.9075     1.0000     0.0925     0.9891     0.9372     0.0519
 12   0     0.9169     1.0000     0.0831     0.9916     0.9404     0.0512
 13   0     0.9046     1.0000     0.0954     0.9869     0.9338     0.0531
 14   0     0.9170     1.0000     0.0830     0.9838     0.9292     0.0546
 15   0     6.1737     6.0000    -0.1737     3.9827     3.6610     0.3217
 16   0     6.1538     6.0000    -0.1538     4.0361     3.7242     0.3119
 17   0     6.1604     6.0000    -0.1604     3.9966     3.6775     0.3191
 18   0     6.1642     6.0000    -0.1642     3.9481     3.6238     0.3243
 19   0     6.1901     6.0000    -0.1901     4.0456     3.7232     0.3224
 20   0     0.9187     1.0000     0.0813     0.9865     0.9366     0.0499
 21   0     0.9170     1.0000     0.0830     0.9882     0.9370     0.0512
 22   0     0.9198     1.0000     0.0802     0.9871     0.9363     0.0508
 23   0     0.9102     1.0000     0.0898     0.9867     0.9365     0.0502
 24   0     0.9207     1.0000     0.0793     0.9819     0.9289     0.0530
 25   0     0.9229     1.0000     0.0771     0.9912     0.9371     0.0541
 26   0     0.9321     1.0000     0.0679     0.9912     0.9389     0.0523
 27   0     0.8934     1.0000     0.1066     0.9779     0.9262     0.0517
 28   0     0.9139     1.0000     0.0861     0.9839     0.9321     0.0518
 29   0     0.9030     1.0000     0.0970     0.9909     0.9422     0.0487
 30   0     6.1537     6.0000    -0.1537     4.0270     3.7134     0.3136
 31   0     6.1827     6.0000    -0.1827     4.0033     3.6724     0.3309
 32   0     6.1921     6.0000    -0.1921     4.0022     3.6845     0.3177
 33   0     6.1598     6.0000    -0.1598     4.0421     3.7252     0.3169
 34   0     6.0998     6.0000    -0.0998     3.9962     3.6844     0.3118
 35   0     0.9258     1.0000     0.0742     0.9945     0.9441     0.0504
 36   0     0.9118     1.0000     0.0882     0.9809     0.9291     0.0518
 37   0     0.9079     1.0000     0.0921     0.9836     0.9316     0.0520
 38   0     0.9392     1.0000     0.0608     1.0005     0.9441     0.0564
 39   0     0.9070     1.0000     0.0930     0.9891     0.9399     0.0492
 40   0     0.9198     1.0000     0.0802     0.9891     0.9371     0.0520
 41   0     0.9134     1.0000     0.0866     0.9853     0.9345     0.0508
 42   0     0.9223     1.0000     0.0777     0.9870     0.9350     0.0520
 43   0     0.9124     1.0000     0.0876     0.9888     0.9393     0.0495
 44   0     0.9521     1.0000     0.0479     1.0096     0.9597     0.0499
 45   0     6.2132     6.0000    -0.2132     4.0261     3.6882     0.3379
 46   0     6.1211     6.0000    -0.1211     3.9816     3.6615     0.3201
 47   0     6.1064     6.0000    -0.1064     4.0419     3.7237     0.3182
 48   0     6.1617     6.0000    -0.1617     3.9874     3.6628     0.3246
 49   0     6.1833     6.0000    -0.1833     3.9719     3.6537     0.3182
 50   0     0.9192     1.0000     0.0808     0.9898     0.9362     0.0536
 51   0     0.9024     1.0000     0.0976     0.9812     0.9280     0.0532
 52   0     0.9711     1.0000     0.0289     1.0023     0.9463     0.0560
 53   0     0.9324     1.0000     0.0676     0.9982     0.9463     0.0519
 54   0     0.9114     1.0000     0.0886     0.9820     0.9266     0.0554
 55   0     0.8994     1.0000     0.1006     0.9903     0.9411     0.0492
 56   0     0.9056     1.0000     0.0944     0.9868     0.9355     0.0513
 57   0     0.9346     1.0000     0.0654     0.9907     0.9359     0.0548
 58   0     0.9322     1.0000     0.0678     0.9831     0.9281     0.0550
 59   0     0.9043     1.0000     0.0957     0.9894     0.9447     0.0447
 60   0     6.1317     6.0000    -0.1317     3.9839     3.6545     0.3294
 61   0     6.1846     6.0000    -0.1846     3.9888     3.6616     0.3272
 62   0     6.1826     6.0000    -0.1826     3.9666     3.6387     0.3279
 63   0     6.1770     6.0000    -0.1770     4.0317     3.7142     0.3175
 64   0     6.1516     6.0000    -0.1516     4.0389     3.7209     0.3180
 65   0     0.9278     1.0000     0.0722     0.9956     0.9417     0.0539
 66   0     0.9456     1.0000     0.0544     1.0075     0.9513     0.0562
 67   0     0.9370     1.0000     0.0630     1.0077     0.9532     0.0545
 68   0     0.9072     1.0000     0.0928     0.9833     0.9313     0.0520
 69   0     0.9091     1.0000     0.0909     0.9860     0.9325     0.0535
 70   0     0.9060     1.0000     0.0940     0.9761     0.9246     0.0515
 71   0     0.9050     1.0000     0.0950     0.9834     0.9321     0.0513
 72   0     0.9213     1.0000     0.0787     0.9839     0.9305     0.0534
 73   0     0.9190     1.0000     0.0810     0.9857     0.9335     0.0522
 74   0     0.9005     1.0000     0.0995     0.9803     0.9324     0.0479
 75   0     6.2099     6.0000    -0.2099     3.9911     3.6671     0.3240
 76   0     6.1439     6.0000    -0.1439     4.0128     3.6949     0.3179
 77   0     6.1736     6.0000    -0.1736     4.0151     3.6980     0.3171
 78   0     6.1596     6.0000    -0.1596     3.9805     3.6593     0.3212
 79   0     6.1693     6.0000    -0.1693     4.0084     3.6861     0.3223
 80   0     0.9070     1.0000     0.0930     0.9825     0.9306     0.0519
 81   0     0.9237     1.0000     0.0763     0.9800     0.9261     0.0539
 82   0     0.9159     1.0000     0.0841     0.9858     0.9349     0.0509
 83   0     0.9066     1.0000     0.0934     0.9843     0.9297     0.0546
 84   0     0.9154     1.0000     0.0846     0.9899     0.9401     0.0498
 85   0     0.9069     1.0000     0.0931     0.9864     0.9344     0.0520
 86   0     0.9227     1.0000     0.0773     0.9885     0.9358     0.0527
 87   0     0.9208     1.0000     0.0792     0.9866     0.9351     0.0515
 88   0     0.9187     1.0000     0.0813     0.9865     0.9345     0.0520
 89   0     0.9052     1.0000     0.0948     0.9881     0.9368     0.0513
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.888815
                0             6               4            6                0.910825
                0             6               5            1                0.951647
                0             6               6            1                0.956047
                1             6               2            6                0.912461
                1             6               7            1                0.957626
                1             6               8            1                0.949831
                2             6               3            6                0.923024
                2             6               9            1                0.949129
                2             6              10            1                0.948352
                3             6               4            6                0.918121
                3             6              11            1                0.943675
                3             6              12            1                0.959013
                4             6              13            1                0.938209
                4             6              14            1                0.954132
               15             6              16            6                0.899650
               15             6              19            6                0.908602
               15             6              20            1                0.955284
               15             6              21            1                0.954262
               16             6              17            6                0.932630
               16             6              22            1                0.958129
               16             6              23            1                0.950320
               17             6              18            6                0.884879
               17             6              24            1                0.953433
               17             6              25            1                0.942533
               18             6              19            6                0.908161
               18             6              26            1                0.964227
               18             6              27            1                0.938254
               19             6              28            1                0.956127
               19             6              29            1                0.950329
               30             6              31            6                0.934690
               30             6              34            6                0.905203
               30             6              35            1                0.958226
               30             6              36            1                0.939637
               31             6              32            6                0.878887
               31             6              37            1                0.947392
               31             6              38            1                0.944219
               32             6              33            6                0.923993
               32             6              39            1                0.957375
               32             6              40            1                0.960081
               33             6              34            6                0.907786
               33             6              41            1                0.950514
               33             6              42            1                0.952739
               34             6              43            1                0.945186
               34             6              44            1                0.978486
               45             6              46            6                0.899493
               45             6              49            6                0.901800
               45             6              50            1                0.947526
               45             6              51            1                0.949516
               46             6              47            6                0.914807
               46             6              52            1                0.950687
               46             6              53            1                0.959422
               47             6              48            6                0.913528
               47             6              54            1                0.939730
               47             6              55            1                0.947155
               48             6              49            6                0.883734
               48             6              56            1                0.947350
               48             6              57            1                0.957789
               49             6              58            1                0.959102
               49             6              59            1                0.965992
               60             6              61            6                0.899603
               60             6              64            6                0.899991
               60             6              65            1                0.947608
               60             6              66            1                0.970509
               61             6              62            6                0.895265
               61             6              67            1                0.954021
               61             6              68            1                0.947018
               62             6              63            6                0.901053
               62             6              69            1                0.951100
               62             6              70            1                0.954516
               63             6              64            6                0.933985
               63             6              71            1                0.953093
               63             6              72            1                0.963054
               64             6              73            1                0.953122
               64             6              74            1                0.953898
               75             6              76            6                0.903154
               75             6              79            6                0.905620
               75             6              80            1                0.947256
               75             6              81            1                0.958721
               76             6              77            6                0.923088
               76             6              82            1                0.960044
               76             6              83            1                0.936471
               77             6              78            6                0.898403
               77             6              84            1                0.957427
               77             6              85            1                0.941414
               78             6              79            6                0.909966
               78             6              86            1                0.952062
               78             6              87            1                0.950787
               79             6              88            1                0.951781
               79             6              89            1                0.944570
# -----------------------------------------------------------
$ 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     6.2113     6.0000    -0.2113     3.9528     3.6401     0.3127
  1   0     6.2471     6.0000    -0.2471     3.9674     3.6548     0.3126
  2   0     6.1703     6.0000    -0.1703     3.9822     3.6650     0.3172
  3   0     6.2028     6.0000    -0.2028     4.0186     3.7008     0.3178
  4   0     6.2301     6.0000    -0.2301     4.0160     3.6890     0.3270
  5   0     0.8878     1.0000     0.1122     0.9727     0.9215     0.0512
  6   0     0.8816     1.0000     0.1184     0.9772     0.9301     0.0471
  7   0     0.9195     1.0000     0.0805     0.9914     0.9361     0.0553
  8   0     0.8881     1.0000     0.1119     0.9699     0.9193     0.0506
  9   0     0.9133     1.0000     0.0867     1.0035     0.9489     0.0546
 10   0     0.8975     1.0000     0.1025     0.9774     0.9243     0.0531
 11   0     0.8844     1.0000     0.1156     0.9824     0.9317     0.0507
 12   0     0.8931     1.0000     0.1069     0.9849     0.9348     0.0501
 13   0     0.8811     1.0000     0.1189     0.9819     0.9300     0.0519
 14   0     0.8945     1.0000     0.1055     0.9764     0.9229     0.0535
 15   0     6.2303     6.0000    -0.2303     3.9703     3.6522     0.3181
 16   0     6.2019     6.0000    -0.2019     4.0118     3.7038     0.3080
 17   0     6.2095     6.0000    -0.2095     3.9763     3.6618     0.3145
 18   0     6.2273     6.0000    -0.2273     3.9453     3.6252     0.3201
 19   0     6.2296     6.0000    -0.2296     4.0188     3.7002     0.3186
 20   0     0.8920     1.0000     0.1080     0.9771     0.9283     0.0488
 21   0     0.8904     1.0000     0.1096     0.9776     0.9275     0.0501
 22   0     0.8956     1.0000     0.1044     0.9793     0.9295     0.0498
 23   0     0.8857     1.0000     0.1143     0.9792     0.9301     0.0491
 24   0     0.8941     1.0000     0.1059     0.9754     0.9237     0.0517
 25   0     0.8984     1.0000     0.1016     0.9859     0.9330     0.0529
 26   0     0.8971     1.0000     0.1029     0.9785     0.9276     0.0509
 27   0     0.8699     1.0000     0.1301     0.9718     0.9212     0.0506
 28   0     0.8911     1.0000     0.1089     0.9764     0.9255     0.0509
 29   0     0.8802     1.0000     0.1198     0.9833     0.9356     0.0477
 30   0     6.2082     6.0000    -0.2082     4.0068     3.6977     0.3091
 31   0     6.2275     6.0000    -0.2275     3.9905     3.6643     0.3262
 32   0     6.2442     6.0000    -0.2442     3.9956     3.6819     0.3137
 33   0     6.1976     6.0000    -0.1976     4.0099     3.6972     0.3127
 34   0     6.1683     6.0000    -0.1683     3.9790     3.6710     0.3080
 35   0     0.8967     1.0000     0.1033     0.9899     0.9409     0.0490
 36   0     0.8893     1.0000     0.1107     0.9741     0.9232     0.0509
 37   0     0.8877     1.0000     0.1123     0.9771     0.9262     0.0509
 38   0     0.9099     1.0000     0.0901     0.9971     0.9422     0.0549
 39   0     0.8826     1.0000     0.1174     0.9790     0.9308     0.0482
 40   0     0.8902     1.0000     0.1098     0.9787     0.9279     0.0508
 41   0     0.8929     1.0000     0.1071     0.9781     0.9282     0.0499
 42   0     0.8998     1.0000     0.1002     0.9815     0.9305     0.0510
 43   0     0.8913     1.0000     0.1087     0.9805     0.9321     0.0484
 44   0     0.9095     1.0000     0.0905     1.0016     0.9533     0.0483
 45   0     6.2422     6.0000    -0.2422     3.9884     3.6548     0.3336
 46   0     6.1871     6.0000    -0.1871     3.9865     3.6711     0.3154
 47   0     6.1607     6.0000    -0.1607     4.0431     3.7295     0.3136
 48   0     6.2038     6.0000    -0.2038     3.9691     3.6488     0.3203
 49   0     6.2361     6.0000    -0.2361     3.9500     3.6361     0.3139
 50   0     0.8960     1.0000     0.1040     0.9837     0.9312     0.0525
 51   0     0.8825     1.0000     0.1175     0.9750     0.9227     0.0523
 52   0     0.9384     1.0000     0.0616     0.9930     0.9384     0.0546
 53   0     0.8998     1.0000     0.1002     0.9865     0.9360     0.0505
 54   0     0.8933     1.0000     0.1067     0.9743     0.9196     0.0547
 55   0     0.8777     1.0000     0.1223     0.9848     0.9367     0.0481
 56   0     0.8835     1.0000     0.1165     0.9775     0.9273     0.0502
 57   0     0.9124     1.0000     0.0876     0.9878     0.9342     0.0536
 58   0     0.9055     1.0000     0.0945     0.9729     0.9190     0.0539
 59   0     0.8784     1.0000     0.1216     0.9821     0.9385     0.0436
 60   0     6.1838     6.0000    -0.1838     3.9708     3.6462     0.3246
 61   0     6.2541     6.0000    -0.2541     3.9912     3.6686     0.3226
 62   0     6.2344     6.0000    -0.2344     3.9540     3.6304     0.3236
 63   0     6.2189     6.0000    -0.2189     4.0054     3.6922     0.3132
 64   0     6.2069     6.0000    -0.2069     4.0154     3.7011     0.3143
 65   0     0.9033     1.0000     0.0967     0.9920     0.9394     0.0526
 66   0     0.9137     1.0000     0.0863     0.9987     0.9441     0.0546
 67   0     0.9038     1.0000     0.0962     1.0020     0.9491     0.0529
 68   0     0.8838     1.0000     0.1162     0.9750     0.9241     0.0509
 69   0     0.8821     1.0000     0.1179     0.9785     0.9263     0.0522
 70   0     0.8809     1.0000     0.1191     0.9680     0.9177     0.0503
 71   0     0.8807     1.0000     0.1193     0.9761     0.9259     0.0502
 72   0     0.8949     1.0000     0.1051     0.9744     0.9221     0.0523
 73   0     0.8930     1.0000     0.1070     0.9783     0.9272     0.0511
 74   0     0.8784     1.0000     0.1216     0.9738     0.9269     0.0469
 75   0     6.2615     6.0000    -0.2615     3.9741     3.6542     0.3199
 76   0     6.1934     6.0000    -0.1934     3.9953     3.6815     0.3138
 77   0     6.2221     6.0000    -0.2221     4.0009     3.6879     0.3130
 78   0     6.2138     6.0000    -0.2138     3.9635     3.6463     0.3172
 79   0     6.2141     6.0000    -0.2141     3.9881     3.6697     0.3184
 80   0     0.8820     1.0000     0.1180     0.9740     0.9231     0.0509
 81   0     0.8938     1.0000     0.1062     0.9692     0.9165     0.0527
 82   0     0.8910     1.0000     0.1090     0.9787     0.9288     0.0499
 83   0     0.8854     1.0000     0.1146     0.9770     0.9233     0.0537
 84   0     0.8886     1.0000     0.1114     0.9817     0.9331     0.0486
 85   0     0.8846     1.0000     0.1154     0.9803     0.9293     0.0510
 86   0     0.8952     1.0000     0.1048     0.9815     0.9300     0.0515
 87   0     0.8952     1.0000     0.1048     0.9781     0.9277     0.0504
 88   0     0.8947     1.0000     0.1053     0.9789     0.9279     0.0510
 89   0     0.8835     1.0000     0.1165     0.9809     0.9306     0.0503
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.893582
                0             6               4            6                0.915783
                0             6               5            1                0.937529
                0             6               6            1                0.947178
                1             6               2            6                0.914313
                1             6               7            1                0.944502
                1             6               8            1                0.935548
                2             6               3            6                0.937169
                2             6               9            1                0.933430
                2             6              10            1                0.930076
                3             6               4            6                0.920840
                3             6              11            1                0.929644
                3             6              12            1                0.944001
                4             6              13            1                0.926363
                4             6              14            1                0.938079
               15             6              16            6                0.909537
               15             6              19            6                0.912450
               15             6              20            1                0.943729
               15             6              21            1                0.940253
               16             6              17            6                0.938937
               16             6              22            1                0.943300
               16             6              23            1                0.938855
               17             6              18            6                0.892753
               17             6              24            1                0.940712
               17             6              25            1                0.928679
               18             6              19            6                0.915435
               18             6              26            1                0.954673
               18             6              27            1                0.925301
               19             6              28            1                0.942613
               19             6              29            1                0.939491
               30             6              31            6                0.940325
               30             6              34            6                0.912711
               30             6              35            1                0.947953
               30             6              36            1                0.924438
               31             6              32            6                0.890441
               31             6              37            1                0.930386
               31             6              38            1                0.932368
               32             6              33            6                0.935086
               32             6              39            1                0.942118
               32             6              40            1                0.947364
               33             6              34            6                0.911112
               33             6              41            1                0.934278
               33             6              42            1                0.939210
               34             6              43            1                0.929282
               34             6              44            1                0.969374
               45             6              46            6                0.903487
               45             6              49            6                0.903884
               45             6              50            1                0.934948
               45             6              51            1                0.935564
               46             6              47            6                0.937069
               46             6              52            1                0.935590
               46             6              53            1                0.948798
               47             6              48            6                0.927980
               47             6              54            1                0.920731
               47             6              55            1                0.935812
               48             6              49            6                0.890463
               48             6              56            1                0.932090
               48             6              57            1                0.939158
               49             6              58            1                0.940816
               49             6              59            1                0.956935
               60             6              61            6                0.914179
               60             6              64            6                0.904134
               60             6              65            1                0.929419
               60             6              66            1                0.953458
               61             6              62            6                0.901611
               61             6              67            1                0.942756
               61             6              68            1                0.929738
               62             6              63            6                0.912332
               62             6              69            1                0.935282
               62             6              70            1                0.941260
               63             6              64            6                0.938483
               63             6              71            1                0.938888
               63             6              72            1                0.944533
               64             6              73            1                0.940097
               64             6              74            1                0.941248
               75             6              76            6                0.913576
               75             6              79            6                0.911818
               75             6              80            1                0.932901
               75             6              81            1                0.945379
               76             6              77            6                0.930501
               76             6              82            1                0.949963
               76             6              83            1                0.920264
               77             6              78            6                0.907104
               77             6              84            1                0.947767
               77             6              85            1                0.928702
               78             6              79            6                0.914933
               78             6              86            1                0.939973
               78             6              87            1                0.938534
               79             6              88            1                0.940675
               79             6              89            1                0.933005
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1592877891
        Correlation Energy:       -5.0791634533
        Total MP2 Energy:      -1176.2384512425
# -----------------------------------------------------------
$ 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) :        0.3070812637
        Electronic Contribution:
                  0    
      0       0.059753
      1       0.157361
      2      -0.021233
        Nuclear Contribution:
                  0    
      0      -0.112467
      1      -0.241002
      2      -0.048200
        Total Dipole moment:
                  0    
      0      -0.052715
      1      -0.083641
      2      -0.069433
# -----------------------------------------------------------
$ 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) :        0.3072242075
        Electronic Contribution:
                  0    
      0       0.058753
      1       0.157681
      2      -0.020950
        Nuclear Contribution:
                  0    
      0      -0.112467
      1      -0.241002
      2      -0.048200
        Total Dipole moment:
                  0    
      0      -0.053714
      1      -0.083320
      2      -0.069150
# -----------------------------------------------------------
$ 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) :        0.2623203015
        Electronic Contribution:
                  0    
      0       0.066154
      1       0.164675
      2      -0.003569
        Nuclear Contribution:
                  0    
      0      -0.112467
      1      -0.241002
      2      -0.048200
        Total Dipole moment:
                  0    
      0      -0.046314
      1      -0.076326
      2      -0.051770
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     19.050000000000   19.530000000000   13.200000000000
               1 C     18.730000000000   18.300000000000   12.360000000000
               2 C     19.470000000000   18.380000000000   11.060000000000
               3 C     20.520000000000   19.450000000000   11.220000000000
               4 C     20.210000000000   20.250000000000   12.560000000000
               5 H     19.430000000000   19.220000000000   14.190000000000
               6 H     18.240000000000   20.150000000000   13.320000000000
               7 H     17.720000000000   18.140000000000   12.160000000000
               8 H     18.980000000000   17.390000000000   12.890000000000
               9 H     18.690000000000   18.470000000000   10.270000000000
              10 H     20.040000000000   17.420000000000   10.960000000000
              11 H     20.570000000000   20.150000000000   10.380000000000
              12 H     21.460000000000   18.930000000000   11.360000000000
              13 H     19.940000000000   21.330000000000   12.510000000000
              14 H     21.080000000000   20.110000000000   13.270000000000
              15 C     16.120000000000   22.740000000000   18.060000000000
              16 C     15.300000000000   23.050000000000   16.770000000000
              17 C     15.530000000000   21.930000000000   15.810000000000
              18 C     16.690000000000   21.120000000000   16.310000000000
              19 C     17.280000000000   21.750000000000   17.630000000000
              20 H     15.520000000000   22.310000000000   18.800000000000
              21 H     16.460000000000   23.640000000000   18.540000000000
              22 H     15.690000000000   23.980000000000   16.400000000000
              23 H     14.240000000000   23.130000000000   16.880000000000
              24 H     15.940000000000   22.330000000000   14.860000000000
              25 H     14.700000000000   21.190000000000   15.700000000000
              26 H     17.430000000000   21.300000000000   15.580000000000
              27 H     16.560000000000   20.020000000000   16.280000000000
              28 H     18.150000000000   22.390000000000   17.450000000000
              29 H     17.490000000000   21.140000000000   18.460000000000
              30 C     17.840000000000   21.660000000000    9.070000000000
              31 C     17.590000000000   21.830000000000   10.560000000000
              32 C     16.150000000000   22.480000000000   10.750000000000
              33 C     15.480000000000   22.310000000000    9.430000000000
              34 C     16.480000000000   21.540000000000    8.510000000000
              35 H     18.320000000000   20.760000000000    8.910000000000
              36 H     18.410000000000   22.500000000000    8.610000000000
              37 H     18.430000000000   22.460000000000   10.880000000000
              38 H     17.620000000000   20.870000000000   11.130000000000
              39 H     16.120000000000   23.460000000000   11.120000000000
              40 H     15.560000000000   22.000000000000   11.500000000000
              41 H     15.280000000000   23.260000000000    8.940000000000
              42 H     14.600000000000   21.690000000000    9.620000000000
              43 H     16.400000000000   21.850000000000    7.490000000000
              44 H     16.260000000000   20.540000000000    8.530000000000
              45 C     13.460000000000   19.120000000000   13.570000000000
              46 C     15.000000000000   18.710000000000   13.820000000000
              47 C     15.040000000000   17.240000000000   13.950000000000
              48 C     13.780000000000   16.670000000000   13.210000000000
              49 C     12.740000000000   17.770000000000   13.210000000000
              50 H     13.490000000000   19.770000000000   12.680000000000
              51 H     12.970000000000   19.530000000000   14.500000000000
              52 H     15.250000000000   19.400000000000   14.600000000000
              53 H     15.510000000000   19.150000000000   13.040000000000
              54 H     14.840000000000   17.040000000000   15.070000000000
              55 H     15.930000000000   16.760000000000   13.600000000000
              56 H     13.260000000000   15.800000000000   13.620000000000
              57 H     13.840000000000   16.510000000000   12.130000000000
              58 H     12.030000000000   17.670000000000   14.060000000000
              59 H     12.160000000000   17.760000000000   12.430000000000
              60 C     16.210000000000   16.850000000000   10.440000000000
              61 C     16.130000000000   18.210000000000    9.740000000000
              62 C     16.640000000000   17.950000000000    8.300000000000
              63 C     17.060000000000   16.500000000000    8.140000000000
              64 C     16.860000000000   15.780000000000    9.470000000000
              65 H     15.280000000000   16.450000000000   10.880000000000
              66 H     16.910000000000   16.840000000000   11.280000000000
              67 H     16.640000000000   19.020000000000   10.210000000000
              68 H     15.070000000000   18.520000000000    9.710000000000
              69 H     17.460000000000   18.600000000000    7.910000000000
              70 H     15.800000000000   18.080000000000    7.620000000000
              71 H     18.030000000000   16.440000000000    7.650000000000
              72 H     16.390000000000   16.070000000000    7.380000000000
              73 H     17.830000000000   15.500000000000    9.870000000000
              74 H     16.300000000000   14.900000000000    9.420000000000
              75 C     26.630000000000   20.930000000000   11.850000000000
              76 C     25.450000000000   21.800000000000   12.220000000000
              77 C     24.270000000000   20.850000000000   12.490000000000
              78 C     24.810000000000   19.420000000000   12.430000000000
              79 C     26.210000000000   19.440000000000   11.700000000000
              80 H     27.580000000000   21.040000000000   12.370000000000
              81 H     26.990000000000   21.300000000000   10.890000000000
              82 H     25.230000000000   22.390000000000   11.340000000000
              83 H     25.710000000000   22.500000000000   13.100000000000
              84 H     23.580000000000   20.930000000000   11.690000000000
              85 H     23.780000000000   20.890000000000   13.480000000000
              86 H     24.090000000000   18.780000000000   11.920000000000
              87 H     24.980000000000   19.010000000000   13.410000000000
              88 H     26.050000000000   19.220000000000   10.640000000000
              89 H     27.010000000000   18.820000000000   12.130000000000
