-------------------------------------------------------------
----------------------- !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:    -1171.2028770342
# -----------------------------------------------------------
$ 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     6.1333     6.0000    -0.1333     3.9061     3.9061     0.0000
  1   0     6.1915     6.0000    -0.1915     3.9029     3.9029     0.0000
  2   0     6.1895     6.0000    -0.1895     3.8858     3.8858    -0.0000
  3   0     6.1132     6.0000    -0.1132     3.8600     3.8600     0.0000
  4   0     6.1920     6.0000    -0.1920     3.9230     3.9230    -0.0000
  5   0     0.9168     1.0000     0.0832     0.9731     0.9731    -0.0000
  6   0     0.9068     1.0000     0.0932     0.9722     0.9722    -0.0000
  7   0     0.9191     1.0000     0.0809     0.9740     0.9740     0.0000
  8   0     0.9108     1.0000     0.0892     0.9750     0.9750     0.0000
  9   0     0.9258     1.0000     0.0742     0.9743     0.9743    -0.0000
 10   0     0.9196     1.0000     0.0804     0.9746     0.9746    -0.0000
 11   0     0.9161     1.0000     0.0839     0.9727     0.9727     0.0000
 12   0     0.9231     1.0000     0.0769     0.9665     0.9665     0.0000
 13   0     0.9173     1.0000     0.0827     0.9731     0.9731    -0.0000
 14   0     0.9124     1.0000     0.0876     0.9770     0.9770    -0.0000
 15   0     6.1501     6.0000    -0.1501     3.9020     3.9020     0.0000
 16   0     6.1602     6.0000    -0.1602     3.9206     3.9206     0.0000
 17   0     6.1665     6.0000    -0.1665     3.9025     3.9025    -0.0000
 18   0     6.1565     6.0000    -0.1565     3.8691     3.8691     0.0000
 19   0     6.1707     6.0000    -0.1707     3.8563     3.8563     0.0000
 20   0     0.9074     1.0000     0.0926     0.9750     0.9750     0.0000
 21   0     0.9207     1.0000     0.0793     0.9771     0.9771    -0.0000
 22   0     0.9117     1.0000     0.0883     0.9757     0.9757     0.0000
 23   0     0.9114     1.0000     0.0886     0.9799     0.9799     0.0000
 24   0     0.9132     1.0000     0.0868     0.9773     0.9773    -0.0000
 25   0     0.9145     1.0000     0.0855     0.9723     0.9723    -0.0000
 26   0     0.9261     1.0000     0.0739     0.9736     0.9736     0.0000
 27   0     0.9500     1.0000     0.0500     0.9863     0.9863     0.0000
 28   0     0.9136     1.0000     0.0864     0.9715     0.9715     0.0000
 29   0     0.9415     1.0000     0.0585     0.9901     0.9901     0.0000
 30   0     6.2233     6.0000    -0.2233     3.9017     3.9017    -0.0000
 31   0     6.1561     6.0000    -0.1561     3.9045     3.9045    -0.0000
 32   0     6.1391     6.0000    -0.1391     3.9399     3.9399    -0.0000
 33   0     6.1454     6.0000    -0.1454     3.9172     3.9172    -0.0000
 34   0     6.1032     6.0000    -0.1032     3.8558     3.8558    -0.0000
 35   0     0.9258     1.0000     0.0742     0.9794     0.9794    -0.0000
 36   0     0.9184     1.0000     0.0816     0.9767     0.9767    -0.0000
 37   0     0.9237     1.0000     0.0763     0.9749     0.9749     0.0000
 38   0     0.9181     1.0000     0.0819     0.9762     0.9762    -0.0000
 39   0     0.9259     1.0000     0.0741     0.9752     0.9752     0.0000
 40   0     0.9267     1.0000     0.0733     0.9843     0.9843    -0.0000
 41   0     0.9227     1.0000     0.0773     0.9808     0.9808    -0.0000
 42   0     0.9203     1.0000     0.0797     0.9774     0.9774    -0.0000
 43   0     0.9498     1.0000     0.0502     0.9902     0.9902    -0.0000
 44   0     0.9009     1.0000     0.0991     0.9715     0.9715    -0.0000
 45   0     6.1423     6.0000    -0.1423     3.8633     3.8633    -0.0000
 46   0     6.1665     6.0000    -0.1665     3.8551     3.8551    -0.0000
 47   0     6.1559     6.0000    -0.1559     3.9100     3.9100    -0.0000
 48   0     6.1401     6.0000    -0.1401     3.9168     3.9168     0.0000
 49   0     6.1894     6.0000    -0.1894     3.9007     3.9007     0.0000
 50   0     0.9228     1.0000     0.0772     0.9730     0.9730    -0.0000
 51   0     0.9135     1.0000     0.0865     0.9761     0.9761     0.0000
 52   0     0.9256     1.0000     0.0744     0.9700     0.9700    -0.0000
 53   0     0.9338     1.0000     0.0662     0.9724     0.9724    -0.0000
 54   0     0.9225     1.0000     0.0775     0.9754     0.9754    -0.0000
 55   0     0.9204     1.0000     0.0796     0.9744     0.9744    -0.0000
 56   0     0.9102     1.0000     0.0898     0.9759     0.9759     0.0000
 57   0     0.9181     1.0000     0.0819     0.9819     0.9819     0.0000
 58   0     0.9146     1.0000     0.0854     0.9751     0.9751     0.0000
 59   0     0.9191     1.0000     0.0809     0.9716     0.9716    -0.0000
 60   0     6.1483     6.0000    -0.1483     3.8762     3.8762     0.0000
 61   0     6.1347     6.0000    -0.1347     3.8789     3.8789     0.0000
 62   0     6.2136     6.0000    -0.2136     3.9023     3.9023     0.0000
 63   0     6.1324     6.0000    -0.1324     3.8554     3.8554    -0.0000
 64   0     6.1841     6.0000    -0.1841     3.9016     3.9016     0.0000
 65   0     0.9291     1.0000     0.0709     0.9817     0.9817     0.0000
 66   0     0.9180     1.0000     0.0820     0.9738     0.9738     0.0000
 67   0     0.9114     1.0000     0.0886     0.9819     0.9819     0.0000
 68   0     0.9226     1.0000     0.0774     0.9790     0.9790     0.0000
 69   0     0.9111     1.0000     0.0889     0.9747     0.9747    -0.0000
 70   0     0.9163     1.0000     0.0837     0.9744     0.9744    -0.0000
 71   0     0.9069     1.0000     0.0931     0.9743     0.9743    -0.0000
 72   0     0.9316     1.0000     0.0684     0.9800     0.9800    -0.0000
 73   0     0.9272     1.0000     0.0728     0.9772     0.9772     0.0000
 74   0     0.9126     1.0000     0.0874     0.9746     0.9746     0.0000
 75   0     6.0944     6.0000    -0.0944     3.8322     3.8322     0.0000
 76   0     6.2198     6.0000    -0.2198     3.9112     3.9112    -0.0000
 77   0     6.1246     6.0000    -0.1246     3.9095     3.9095    -0.0000
 78   0     6.1426     6.0000    -0.1426     3.8942     3.8942    -0.0000
 79   0     6.1691     6.0000    -0.1691     3.9239     3.9239    -0.0000
 80   0     0.9680     1.0000     0.0320     1.0071     1.0071     0.0000
 81   0     0.9101     1.0000     0.0899     0.9746     0.9746     0.0000
 82   0     0.9130     1.0000     0.0870     0.9749     0.9749    -0.0000
 83   0     0.9308     1.0000     0.0692     0.9773     0.9773     0.0000
 84   0     0.9240     1.0000     0.0760     0.9827     0.9827    -0.0000
 85   0     0.9124     1.0000     0.0876     0.9796     0.9796     0.0000
 86   0     0.9125     1.0000     0.0875     0.9718     0.9718     0.0000
 87   0     0.9337     1.0000     0.0663     0.9816     0.9816    -0.0000
 88   0     0.9320     1.0000     0.0680     0.9824     0.9824    -0.0000
 89   0     0.9172     1.0000     0.0828     0.9711     0.9711    -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                0.978905
                0             6               4            6                0.988275
                0             6               5            1                0.992763
                0             6               6            1                0.985190
                1             6               2            6                0.968137
                1             6               7            1                0.995903
                1             6               8            1                0.987023
                2             6               3            6                0.957787
                2             6               9            1                0.998177
                2             6              10            1                0.989995
                3             6               4            6                0.961102
                3             6              11            1                0.991025
                3             6              12            1                0.992863
                4             6              13            1                0.988330
                4             6              14            1                0.994062
               15             6              16            6                0.985092
               15             6              19            6                0.950598
               15             6              20            1                0.991797
               15             6              21            1                0.999925
               16             6              17            6                0.982407
               16             6              22            1                0.989971
               16             6              23            1                0.991276
               17             6              18            6                0.955975
               17             6              24            1                0.995912
               17             6              25            1                0.993419
               18             6              19            6                0.965243
               18             6              26            1                0.999400
               18             6              27            1                0.992848
               19             6              28            1                0.998514
               19             6              29            1                0.991613
               30             6              31            6                0.972969
               30             6              34            6                0.955774
               30             6              35            1                0.994892
               30             6              36            1                0.989247
               31             6              32            6                0.985820
               31             6              37            1                0.992196
               31             6              38            1                0.990438
               32             6              33            6                0.976939
               32             6              39            1                1.000261
               32             6              40            1                0.996689
               33             6              34            6                0.968134
               33             6              41            1                0.998456
               33             6              42            1                0.988326
               34             6              43            1                1.002150
               34             6              44            1                0.980888
               45             6              46            6                0.946583
               45             6              49            6                0.978777
               45             6              50            1                1.000480
               45             6              51            1                0.981402
               46             6              47            6                0.962804
               46             6              52            1                0.985072
               46             6              53            1                1.002975
               47             6              48            6                0.982769
               47             6              54            1                0.993597
               47             6              55            1                0.997971
               48             6              49            6                0.979378
               48             6              56            1                0.981603
               48             6              57            1                0.994766
               49             6              58            1                0.988236
               49             6              59            1                0.997266
               60             6              61            6                0.969366
               60             6              64            6                0.967447
               60             6              65            1                0.993690
               60             6              66            1                0.988698
               61             6              62            6                0.969441
               61             6              67            1                0.986505
               61             6              68            1                0.991541
               62             6              63            6                0.962386
               62             6              69            1                0.989189
               62             6              70            1                0.993731
               63             6              64            6                0.964780
               63             6              71            1                0.983931
               63             6              72            1                0.994860
               64             6              73            1                0.994936
               64             6              74            1                0.993749
               75             6              76            6                0.948374
               75             6              79            6                0.965761
               75             6              80            1                1.003265
               75             6              81            1                0.980365
               76             6              77            6                0.979559
               76             6              82            1                0.995358
               76             6              83            1                0.995968
               77             6              78            6                0.976485
               77             6              84            1                0.988214
               77             6              85            1                0.991594
               78             6              79            6                0.972711
               78             6              86            1                0.987646
               78             6              87            1                0.998951
               79             6              88            1                0.992403
               79             6              89            1                0.997483
# -----------------------------------------------------------
$ 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     6.1419     6.0000    -0.1419     4.0139     3.6947     0.3192
  1   0     6.1991     6.0000    -0.1991     4.0133     3.6915     0.3218
  2   0     6.1973     6.0000    -0.1973     3.9990     3.6756     0.3234
  3   0     6.1217     6.0000    -0.1217     3.9679     3.6510     0.3169
  4   0     6.2003     6.0000    -0.2003     4.0342     3.7099     0.3243
  5   0     0.9128     1.0000     0.0872     0.9824     0.9302     0.0522
  6   0     0.9025     1.0000     0.0975     0.9809     0.9303     0.0506
  7   0     0.9151     1.0000     0.0849     0.9833     0.9309     0.0524
  8   0     0.9069     1.0000     0.0931     0.9841     0.9315     0.0526
  9   0     0.9212     1.0000     0.0788     0.9837     0.9322     0.0515
 10   0     0.9159     1.0000     0.0841     0.9846     0.9311     0.0535
 11   0     0.9117     1.0000     0.0883     0.9817     0.9302     0.0515
 12   0     0.9194     1.0000     0.0806     0.9765     0.9253     0.0512
 13   0     0.9133     1.0000     0.0867     0.9826     0.9292     0.0534
 14   0     0.9082     1.0000     0.0918     0.9859     0.9341     0.0518
 15   0     6.1579     6.0000    -0.1579     4.0118     3.6891     0.3227
 16   0     6.1676     6.0000    -0.1676     4.0282     3.7026     0.3256
 17   0     6.1745     6.0000    -0.1745     4.0132     3.6893     0.3239
 18   0     6.1643     6.0000    -0.1643     3.9826     3.6462     0.3364
 19   0     6.1767     6.0000    -0.1767     3.9645     3.6430     0.3215
 20   0     0.9037     1.0000     0.0963     0.9843     0.9327     0.0516
 21   0     0.9169     1.0000     0.0831     0.9866     0.9351     0.0515
 22   0     0.9080     1.0000     0.0920     0.9850     0.9326     0.0524
 23   0     0.9078     1.0000     0.0922     0.9892     0.9384     0.0508
 24   0     0.9094     1.0000     0.0906     0.9864     0.9355     0.0509
 25   0     0.9107     1.0000     0.0893     0.9817     0.9294     0.0523
 26   0     0.9219     1.0000     0.0781     0.9834     0.9294     0.0540
 27   0     0.9461     1.0000     0.0539     0.9974     0.9400     0.0574
 28   0     0.9095     1.0000     0.0905     0.9803     0.9295     0.0508
 29   0     0.9392     1.0000     0.0608     1.0030     0.9459     0.0571
 30   0     6.2303     6.0000    -0.2303     4.0150     3.6788     0.3362
 31   0     6.1644     6.0000    -0.1644     4.0136     3.6967     0.3169
 32   0     6.1468     6.0000    -0.1468     4.0456     3.7318     0.3138
 33   0     6.1533     6.0000    -0.1533     4.0233     3.7084     0.3149
 34   0     6.1120     6.0000    -0.1120     3.9658     3.6395     0.3263
 35   0     0.9220     1.0000     0.0780     0.9893     0.9333     0.0560
 36   0     0.9148     1.0000     0.0852     0.9867     0.9321     0.0546
 37   0     0.9196     1.0000     0.0804     0.9841     0.9299     0.0542
 38   0     0.9142     1.0000     0.0858     0.9854     0.9361     0.0493
 39   0     0.9220     1.0000     0.0780     0.9849     0.9333     0.0516
 40   0     0.9227     1.0000     0.0773     0.9941     0.9421     0.0520
 41   0     0.9188     1.0000     0.0812     0.9901     0.9391     0.0510
 42   0     0.9165     1.0000     0.0835     0.9869     0.9376     0.0493
 43   0     0.9454     1.0000     0.0546     1.0001     0.9429     0.0572
 44   0     0.8967     1.0000     0.1033     0.9802     0.9302     0.0500
 45   0     6.1502     6.0000    -0.1502     3.9720     3.6527     0.3193
 46   0     6.1749     6.0000    -0.1749     3.9671     3.6459     0.3212
 47   0     6.1637     6.0000    -0.1637     4.0170     3.7050     0.3120
 48   0     6.1477     6.0000    -0.1477     4.0233     3.7014     0.3219
 49   0     6.1971     6.0000    -0.1971     4.0120     3.6869     0.3251
 50   0     0.9189     1.0000     0.0811     0.9826     0.9299     0.0527
 51   0     0.9097     1.0000     0.0903     0.9853     0.9303     0.0550
 52   0     0.9219     1.0000     0.0781     0.9805     0.9265     0.0540
 53   0     0.9295     1.0000     0.0705     0.9822     0.9289     0.0533
 54   0     0.9186     1.0000     0.0814     0.9851     0.9357     0.0494
 55   0     0.9161     1.0000     0.0839     0.9836     0.9344     0.0492
 56   0     0.9065     1.0000     0.0935     0.9850     0.9294     0.0556
 57   0     0.9142     1.0000     0.0858     0.9911     0.9408     0.0503
 58   0     0.9108     1.0000     0.0892     0.9845     0.9323     0.0522
 59   0     0.9151     1.0000     0.0849     0.9811     0.9272     0.0539
 60   0     6.1562     6.0000    -0.1562     3.9849     3.6683     0.3166
 61   0     6.1420     6.0000    -0.1420     3.9857     3.6689     0.3168
 62   0     6.2216     6.0000    -0.2216     4.0158     3.6829     0.3329
 63   0     6.1397     6.0000    -0.1397     3.9623     3.6472     0.3151
 64   0     6.1914     6.0000    -0.1914     4.0102     3.6920     0.3182
 65   0     0.9252     1.0000     0.0748     0.9914     0.9409     0.0505
 66   0     0.9143     1.0000     0.0857     0.9833     0.9319     0.0514
 67   0     0.9076     1.0000     0.0924     0.9910     0.9406     0.0504
 68   0     0.9188     1.0000     0.0812     0.9887     0.9353     0.0534
 69   0     0.9074     1.0000     0.0926     0.9842     0.9298     0.0544
 70   0     0.9125     1.0000     0.0875     0.9838     0.9304     0.0534
 71   0     0.9032     1.0000     0.0968     0.9833     0.9325     0.0508
 72   0     0.9278     1.0000     0.0722     0.9899     0.9372     0.0527
 73   0     0.9235     1.0000     0.0765     0.9873     0.9341     0.0532
 74   0     0.9088     1.0000     0.0912     0.9838     0.9360     0.0478
 75   0     6.1016     6.0000    -0.1016     3.9380     3.6206     0.3174
 76   0     6.2279     6.0000    -0.2279     4.0241     3.6983     0.3258
 77   0     6.1321     6.0000    -0.1321     4.0143     3.6997     0.3146
 78   0     6.1504     6.0000    -0.1504     4.0001     3.6878     0.3123
 79   0     6.1771     6.0000    -0.1771     4.0300     3.7208     0.3092
 80   0     0.9641     1.0000     0.0359     1.0181     0.9630     0.0551
 81   0     0.9060     1.0000     0.0940     0.9836     0.9339     0.0497
 82   0     0.9091     1.0000     0.0909     0.9840     0.9330     0.0510
 83   0     0.9271     1.0000     0.0729     0.9877     0.9315     0.0562
 84   0     0.9201     1.0000     0.0799     0.9921     0.9388     0.0533
 85   0     0.9086     1.0000     0.0914     0.9888     0.9380     0.0508
 86   0     0.9087     1.0000     0.0913     0.9811     0.9299     0.0512
 87   0     0.9298     1.0000     0.0702     0.9914     0.9389     0.0525
 88   0     0.9281     1.0000     0.0719     0.9924     0.9409     0.0515
 89   0     0.9132     1.0000     0.0868     0.9803     0.9322     0.0481
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.916642
                0             6               4            6                0.924991
                0             6               5            1                0.950909
                0             6               6            1                0.944645
                1             6               2            6                0.906321
                1             6               7            1                0.953887
                1             6               8            1                0.945091
                2             6               3            6                0.895996
                2             6               9            1                0.957013
                2             6              10            1                0.947742
                3             6               4            6                0.899096
                3             6              11            1                0.949934
                3             6              12            1                0.952431
                4             6              13            1                0.945844
                4             6              14            1                0.952373
               15             6              16            6                0.916495
               15             6              19            6                0.891492
               15             6              20            1                0.950797
               15             6              21            1                0.958900
               16             6              17            6                0.918671
               16             6              22            1                0.948158
               16             6              23            1                0.950957
               17             6              18            6                0.891783
               17             6              24            1                0.955528
               17             6              25            1                0.951597
               18             6              19            6                0.898368
               18             6              26            1                0.955841
               18             6              27            1                0.947380
               19             6              28            1                0.957181
               19             6              29            1                0.948569
               30             6              31            6                0.908265
               30             6              34            6                0.889320
               30             6              35            1                0.950026
               30             6              36            1                0.945925
               31             6              32            6                0.928553
               31             6              37            1                0.948478
               31             6              38            1                0.951638
               32             6              33            6                0.911282
               32             6              39            1                0.959238
               32             6              40            1                0.956010
               33             6              34            6                0.907784
               33             6              41            1                0.958006
               33             6              42            1                0.950153
               34             6              43            1                0.955597
               34             6              44            1                0.940759
               45             6              46            6                0.886923
               45             6              49            6                0.916746
               45             6              50            1                0.958402
               45             6              51            1                0.937443
               46             6              47            6                0.901106
               46             6              52            1                0.942779
               46             6              53            1                0.960183
               47             6              48            6                0.920287
               47             6              54            1                0.955089
               47             6              55            1                0.958908
               48             6              49            6                0.915011
               48             6              56            1                0.936752
               48             6              57            1                0.954938
               49             6              58            1                0.946945
               49             6              59            1                0.954034
               60             6              61            6                0.911053
               60             6              64            6                0.900959
               60             6              65            1                0.954266
               60             6              66            1                0.948319
               61             6              62            6                0.903444
               61             6              67            1                0.946812
               61             6              68            1                0.949236
               62             6              63            6                0.899164
               62             6              69            1                0.945775
               62             6              70            1                0.951036
               63             6              64            6                0.904624
               63             6              71            1                0.943618
               63             6              72            1                0.953276
               64             6              73            1                0.952928
               64             6              74            1                0.956471
               75             6              76            6                0.885005
               75             6              79            6                0.902819
               75             6              80            1                0.960150
               75             6              81            1                0.940943
               76             6              77            6                0.918528
               76             6              82            1                0.954698
               76             6              83            1                0.951481
               77             6              78            6                0.914211
               77             6              84            1                0.945879
               77             6              85            1                0.951373
               78             6              79            6                0.914079
               78             6              86            1                0.947224
               78             6              87            1                0.957385
               79             6              88            1                0.952378
               79             6              89            1                0.959589
# -----------------------------------------------------------
$ 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     6.2024     6.0000    -0.2024     4.0042     3.6891     0.3151
  1   0     6.2407     6.0000    -0.2407     3.9908     3.6734     0.3174
  2   0     6.2396     6.0000    -0.2396     3.9742     3.6554     0.3188
  3   0     6.1835     6.0000    -0.1835     3.9550     3.6423     0.3127
  4   0     6.2385     6.0000    -0.2385     4.0037     3.6839     0.3198
  5   0     0.8866     1.0000     0.1134     0.9760     0.9250     0.0510
  6   0     0.8838     1.0000     0.1162     0.9753     0.9256     0.0497
  7   0     0.8885     1.0000     0.1115     0.9742     0.9230     0.0512
  8   0     0.8813     1.0000     0.1187     0.9773     0.9260     0.0513
  9   0     0.8958     1.0000     0.1042     0.9742     0.9239     0.0503
 10   0     0.8905     1.0000     0.1095     0.9793     0.9272     0.0521
 11   0     0.8902     1.0000     0.1098     0.9754     0.9250     0.0504
 12   0     0.8936     1.0000     0.1064     0.9767     0.9269     0.0498
 13   0     0.8913     1.0000     0.1087     0.9766     0.9241     0.0525
 14   0     0.8820     1.0000     0.1180     0.9780     0.9274     0.0506
 15   0     6.2130     6.0000    -0.2130     4.0046     3.6859     0.3187
 16   0     6.2149     6.0000    -0.2149     4.0117     3.6900     0.3217
 17   0     6.2265     6.0000    -0.2265     4.0030     3.6833     0.3197
 18   0     6.2193     6.0000    -0.2193     3.9638     3.6318     0.3320
 19   0     6.2292     6.0000    -0.2292     3.9547     3.6378     0.3169
 20   0     0.8795     1.0000     0.1205     0.9774     0.9269     0.0505
 21   0     0.8903     1.0000     0.1097     0.9761     0.9257     0.0504
 22   0     0.8859     1.0000     0.1141     0.9772     0.9257     0.0515
 23   0     0.8845     1.0000     0.1155     0.9802     0.9304     0.0498
 24   0     0.8845     1.0000     0.1155     0.9775     0.9276     0.0499
 25   0     0.8871     1.0000     0.1129     0.9745     0.9232     0.0513
 26   0     0.8935     1.0000     0.1065     0.9730     0.9202     0.0528
 27   0     0.9132     1.0000     0.0868     0.9931     0.9373     0.0558
 28   0     0.8805     1.0000     0.1195     0.9699     0.9204     0.0495
 29   0     0.9107     1.0000     0.0893     0.9938     0.9380     0.0558
 30   0     6.2667     6.0000    -0.2667     3.9991     3.6677     0.3314
 31   0     6.2186     6.0000    -0.2186     4.0022     3.6897     0.3125
 32   0     6.2041     6.0000    -0.2041     4.0193     3.7095     0.3098
 33   0     6.2087     6.0000    -0.2087     4.0062     3.6951     0.3111
 34   0     6.1655     6.0000    -0.1655     3.9636     3.6420     0.3216
 35   0     0.8976     1.0000     0.1024     0.9816     0.9268     0.0548
 36   0     0.8881     1.0000     0.1119     0.9793     0.9260     0.0533
 37   0     0.8912     1.0000     0.1088     0.9757     0.9227     0.0530
 38   0     0.8887     1.0000     0.1113     0.9780     0.9297     0.0483
 39   0     0.8945     1.0000     0.1055     0.9764     0.9259     0.0505
 40   0     0.8932     1.0000     0.1068     0.9868     0.9362     0.0506
 41   0     0.8912     1.0000     0.1088     0.9808     0.9310     0.0498
 42   0     0.8928     1.0000     0.1072     0.9802     0.9319     0.0483
 43   0     0.9221     1.0000     0.0779     0.9905     0.9345     0.0560
 44   0     0.8772     1.0000     0.1228     0.9755     0.9265     0.0490
 45   0     6.1919     6.0000    -0.1919     3.9528     3.6381     0.3147
 46   0     6.2263     6.0000    -0.2263     3.9512     3.6344     0.3168
 47   0     6.2217     6.0000    -0.2217     3.9977     3.6897     0.3080
 48   0     6.1921     6.0000    -0.1921     4.0075     3.6899     0.3176
 49   0     6.2483     6.0000    -0.2483     3.9967     3.6757     0.3210
 50   0     0.8948     1.0000     0.1052     0.9751     0.9234     0.0517
 51   0     0.8867     1.0000     0.1133     0.9791     0.9252     0.0539
 52   0     0.8977     1.0000     0.1023     0.9778     0.9252     0.0526
 53   0     0.9013     1.0000     0.0987     0.9757     0.9237     0.0520
 54   0     0.8909     1.0000     0.1091     0.9789     0.9308     0.0481
 55   0     0.8923     1.0000     0.1077     0.9793     0.9312     0.0481
 56   0     0.8857     1.0000     0.1143     0.9790     0.9243     0.0547
 57   0     0.8915     1.0000     0.1085     0.9836     0.9342     0.0494
 58   0     0.8850     1.0000     0.1150     0.9766     0.9255     0.0511
 59   0     0.8890     1.0000     0.1110     0.9715     0.9188     0.0527
 60   0     6.2126     6.0000    -0.2126     3.9690     3.6562     0.3128
 61   0     6.1957     6.0000    -0.1957     3.9776     3.6650     0.3126
 62   0     6.2569     6.0000    -0.2569     3.9938     3.6653     0.3285
 63   0     6.1973     6.0000    -0.1973     3.9602     3.6492     0.3110
 64   0     6.2358     6.0000    -0.2358     3.9790     3.6648     0.3142
 65   0     0.8969     1.0000     0.1031     0.9823     0.9329     0.0494
 66   0     0.8899     1.0000     0.1101     0.9763     0.9259     0.0504
 67   0     0.8847     1.0000     0.1153     0.9827     0.9333     0.0494
 68   0     0.8935     1.0000     0.1065     0.9814     0.9291     0.0523
 69   0     0.8861     1.0000     0.1139     0.9766     0.9232     0.0534
 70   0     0.8890     1.0000     0.1110     0.9765     0.9242     0.0523
 71   0     0.8810     1.0000     0.1190     0.9766     0.9267     0.0499
 72   0     0.8999     1.0000     0.1001     0.9805     0.9289     0.0516
 73   0     0.8961     1.0000     0.1039     0.9776     0.9255     0.0521
 74   0     0.8844     1.0000     0.1156     0.9782     0.9314     0.0468
 75   0     6.1636     6.0000    -0.1636     3.9311     3.6176     0.3135
 76   0     6.2715     6.0000    -0.2715     4.0026     3.6812     0.3214
 77   0     6.1867     6.0000    -0.1867     4.0031     3.6926     0.3105
 78   0     6.2041     6.0000    -0.2041     3.9816     3.6733     0.3083
 79   0     6.2277     6.0000    -0.2277     3.9990     3.6938     0.3052
 80   0     0.9299     1.0000     0.0701     1.0062     0.9525     0.0537
 81   0     0.8849     1.0000     0.1151     0.9789     0.9302     0.0487
 82   0     0.8831     1.0000     0.1169     0.9747     0.9248     0.0499
 83   0     0.8973     1.0000     0.1027     0.9808     0.9260     0.0548
 84   0     0.8954     1.0000     0.1046     0.9833     0.9311     0.0522
 85   0     0.8857     1.0000     0.1143     0.9837     0.9340     0.0497
 86   0     0.8859     1.0000     0.1141     0.9754     0.9252     0.0502
 87   0     0.9011     1.0000     0.0989     0.9826     0.9313     0.0513
 88   0     0.8992     1.0000     0.1008     0.9824     0.9321     0.0503
 89   0     0.8877     1.0000     0.1123     0.9756     0.9286     0.0470
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.923383
                0             6               4            6                0.933234
                0             6               5            1                0.936364
                0             6               6            1                0.931384
                1             6               2            6                0.915419
                1             6               7            1                0.940065
                1             6               8            1                0.929760
                2             6               3            6                0.902515
                2             6               9            1                0.941864
                2             6              10            1                0.934118
                3             6               4            6                0.905439
                3             6              11            1                0.933981
                3             6              12            1                0.943362
                4             6              13            1                0.930947
                4             6              14            1                0.938865
               15             6              16            6                0.919886
               15             6              19            6                0.910428
               15             6              20            1                0.937261
               15             6              21            1                0.945384
               16             6              17            6                0.928874
               16             6              22            1                0.935983
               16             6              23            1                0.939021
               17             6              18            6                0.901718
               17             6              24            1                0.942711
               17             6              25            1                0.936799
               18             6              19            6                0.896810
               18             6              26            1                0.941487
               18             6              27            1                0.933005
               19             6              28            1                0.944578
               19             6              29            1                0.933191
               30             6              31            6                0.914345
               30             6              34            6                0.903535
               30             6              35            1                0.933196
               30             6              36            1                0.933247
               31             6              32            6                0.943532
               31             6              37            1                0.930399
               31             6              38            1                0.938722
               32             6              33            6                0.909530
               32             6              39            1                0.945506
               32             6              40            1                0.940282
               33             6              34            6                0.924768
               33             6              41            1                0.945699
               33             6              42            1                0.937762
               34             6              43            1                0.933960
               34             6              44            1                0.932389
               45             6              46            6                0.899572
               45             6              49            6                0.924366
               45             6              50            1                0.943500
               45             6              51            1                0.922042
               46             6              47            6                0.903122
               46             6              52            1                0.930074
               46             6              53            1                0.949387
               47             6              48            6                0.926107
               47             6              54            1                0.945032
               47             6              55            1                0.948830
               48             6              49            6                0.926742
               48             6              56            1                0.921625
               48             6              57            1                0.943386
               49             6              58            1                0.934383
               49             6              59            1                0.937316
               60             6              61            6                0.924160
               60             6              64            6                0.900311
               60             6              65            1                0.943085
               60             6              66            1                0.936853
               61             6              62            6                0.912406
               61             6              67            1                0.934729
               61             6              68            1                0.936145
               62             6              63            6                0.911254
               62             6              69            1                0.930623
               62             6              70            1                0.937839
               63             6              64            6                0.914782
               63             6              71            1                0.932239
               63             6              72            1                0.941253
               64             6              73            1                0.937677
               64             6              74            1                0.948392
               75             6              76            6                0.895918
               75             6              79            6                0.908503
               75             6              80            1                0.947863
               75             6              81            1                0.932459
               76             6              77            6                0.929665
               76             6              82            1                0.939986
               76             6              83            1                0.935543
               77             6              78            6                0.925579
               77             6              84            1                0.930732
               77             6              85            1                0.940071
               78             6              79            6                0.918718
               78             6              86            1                0.933378
               78             6              87            1                0.944393
               79             6              88            1                0.937759
               79             6              89            1                0.951030
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2028770342
        Correlation Energy:       -5.0658302163
        Total MP2 Energy:      -1176.2687072504
# -----------------------------------------------------------
$ 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) :        0.1962948808
        Electronic Contribution:
                  0    
      0      -0.704769
      1      -0.023195
      2      -0.365416
        Nuclear Contribution:
                  0    
      0       0.731039
      1       0.048200
      2       0.297235
        Total Dipole moment:
                  0    
      0       0.026270
      1       0.025005
      2      -0.068181
# -----------------------------------------------------------
$ 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) :        0.1982654098
        Electronic Contribution:
                  0    
      0      -0.702976
      1      -0.023309
      2      -0.365626
        Nuclear Contribution:
                  0    
      0       0.731039
      1       0.048200
      2       0.297235
        Total Dipole moment:
                  0    
      0       0.028062
      1       0.024891
      2      -0.068391
# -----------------------------------------------------------
$ 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) :        0.2033678784
        Electronic Contribution:
                  0    
      0      -0.667405
      1      -0.030379
      2      -0.342343
        Nuclear Contribution:
                  0    
      0       0.731039
      1       0.048200
      2       0.297235
        Total Dipole moment:
                  0    
      0       0.063634
      1       0.017821
      2      -0.045107
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     18.610000000000   18.040000000000   24.890000000000
               1 C     19.660000000000   18.930000000000   24.240000000000
               2 C     20.920000000000   18.080000000000   24.090000000000
               3 C     20.620000000000   16.620000000000   24.410000000000
               4 C     19.280000000000   16.670000000000   25.120000000000
               5 H     17.780000000000   17.890000000000   24.190000000000
               6 H     18.270000000000   18.480000000000   25.840000000000
               7 H     19.830000000000   19.760000000000   24.930000000000
               8 H     19.360000000000   19.430000000000   23.300000000000
               9 H     21.660000000000   18.420000000000   24.790000000000
              10 H     21.430000000000   18.240000000000   23.140000000000
              11 H     21.440000000000   16.200000000000   25.010000000000
              12 H     20.600000000000   16.040000000000   23.530000000000
              13 H     19.490000000000   16.520000000000   26.210000000000
              14 H     18.740000000000   15.810000000000   24.710000000000
              15 C     19.940000000000   16.800000000000   19.380000000000
              16 C     18.470000000000   16.130000000000   19.140000000000
              17 C     17.820000000000   15.930000000000   20.540000000000
              18 C     18.950000000000   16.210000000000   21.600000000000
              19 C     20.190000000000   16.880000000000   20.860000000000
              20 H     20.130000000000   17.750000000000   18.880000000000
              21 H     20.680000000000   16.160000000000   18.940000000000
              22 H     18.540000000000   15.130000000000   18.660000000000
              23 H     17.910000000000   16.800000000000   18.510000000000
              24 H     17.410000000000   14.930000000000   20.570000000000
              25 H     17.010000000000   16.620000000000   20.820000000000
              26 H     19.280000000000   15.230000000000   21.980000000000
              27 H     18.580000000000   16.780000000000   22.500000000000
              28 H     21.050000000000   16.340000000000   21.190000000000
              29 H     20.360000000000   17.880000000000   21.260000000000
              30 C     22.240000000000   21.670000000000   21.940000000000
              31 C     23.310000000000   22.410000000000   21.090000000000
              32 C     23.100000000000   21.910000000000   19.740000000000
              33 C     21.650000000000   21.350000000000   19.500000000000
              34 C     21.240000000000   21.000000000000   20.890000000000
              35 H     21.700000000000   22.470000000000   22.540000000000
              36 H     22.740000000000   20.940000000000   22.620000000000
              37 H     24.320000000000   22.140000000000   21.500000000000
              38 H     23.270000000000   23.460000000000   21.130000000000
              39 H     23.680000000000   21.040000000000   19.540000000000
              40 H     23.350000000000   22.590000000000   18.940000000000
              41 H     21.720000000000   20.450000000000   18.910000000000
              42 H     21.000000000000   22.040000000000   19.040000000000
              43 H     21.430000000000   19.870000000000   20.970000000000
              44 H     20.240000000000   21.270000000000   21.200000000000
              45 C     25.390000000000   24.040000000000   25.010000000000
              46 C     24.210000000000   23.330000000000   24.420000000000
              47 C     23.170000000000   23.070000000000   25.480000000000
              48 C     23.680000000000   23.590000000000   26.830000000000
              49 C     25.160000000000   24.000000000000   26.510000000000
              50 H     25.290000000000   25.050000000000   24.590000000000
              51 H     26.440000000000   23.630000000000   24.760000000000
              52 H     24.560000000000   22.440000000000   23.880000000000
              53 H     23.660000000000   23.970000000000   23.720000000000
              54 H     23.010000000000   22.050000000000   25.540000000000
              55 H     22.310000000000   23.580000000000   25.140000000000
              56 H     23.640000000000   22.770000000000   27.670000000000
              57 H     23.140000000000   24.480000000000   27.080000000000
              58 H     25.930000000000   23.400000000000   26.990000000000
              59 H     25.460000000000   25.000000000000   26.880000000000
              60 C     21.950000000000   24.620000000000   14.860000000000
              61 C     23.190000000000   24.000000000000   15.380000000000
              62 C     23.960000000000   25.170000000000   16.150000000000
              63 C     22.990000000000   26.360000000000   16.350000000000
              64 C     21.690000000000   25.930000000000   15.720000000000
              65 H     21.090000000000   24.030000000000   15.030000000000
              66 H     22.030000000000   24.820000000000   13.790000000000
              67 H     23.880000000000   23.600000000000   14.650000000000
              68 H     22.900000000000   23.220000000000   16.120000000000
              69 H     24.860000000000   25.630000000000   15.640000000000
              70 H     24.310000000000   24.810000000000   17.140000000000
              71 H     23.320000000000   27.340000000000   15.980000000000
              72 H     22.760000000000   26.430000000000   17.410000000000
              73 H     21.340000000000   26.590000000000   14.930000000000
              74 H     20.890000000000   25.790000000000   16.350000000000
              75 C     25.880000000000   19.900000000000   25.490000000000
              76 C     25.330000000000   18.790000000000   24.580000000000
              77 C     25.290000000000   17.530000000000   25.430000000000
              78 C     26.100000000000   17.810000000000   26.700000000000
              79 C     26.160000000000   19.270000000000   26.860000000000
              80 H     25.010000000000   20.520000000000   25.660000000000
              81 H     26.710000000000   20.390000000000   25.010000000000
              82 H     25.920000000000   18.760000000000   23.680000000000
              83 H     24.340000000000   19.100000000000   24.130000000000
              84 H     25.810000000000   16.720000000000   24.870000000000
              85 H     24.310000000000   17.230000000000   25.770000000000
              86 H     27.100000000000   17.360000000000   26.740000000000
              87 H     25.550000000000   17.500000000000   27.580000000000
              88 H     27.140000000000   19.600000000000   27.130000000000
              89 H     25.500000000000   19.650000000000   27.560000000000
