-------------------------------------------------------------
----------------------- !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:    -1171.1965468470
# -----------------------------------------------------------
$ 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     6.1536     6.0000    -0.1536     3.8831     3.8831    -0.0000
  1   0     6.2072     6.0000    -0.2072     3.9179     3.9179    -0.0000
  2   0     6.0982     6.0000    -0.0982     3.8393     3.8393    -0.0000
  3   0     6.1737     6.0000    -0.1737     3.9107     3.9107     0.0000
  4   0     6.1918     6.0000    -0.1918     3.8951     3.8951     0.0000
  5   0     0.9146     1.0000     0.0854     0.9739     0.9739    -0.0000
  6   0     0.9123     1.0000     0.0877     0.9740     0.9740     0.0000
  7   0     0.9112     1.0000     0.0888     0.9705     0.9705     0.0000
  8   0     0.9164     1.0000     0.0836     0.9759     0.9759     0.0000
  9   0     0.9290     1.0000     0.0710     0.9799     0.9799     0.0000
 10   0     0.9375     1.0000     0.0625     0.9934     0.9934     0.0000
 11   0     0.9150     1.0000     0.0850     0.9728     0.9728     0.0000
 12   0     0.9119     1.0000     0.0881     0.9806     0.9806     0.0000
 13   0     0.9287     1.0000     0.0713     0.9731     0.9731     0.0000
 14   0     0.9045     1.0000     0.0955     0.9726     0.9726     0.0000
 15   0     6.2142     6.0000    -0.2142     3.8970     3.8970    -0.0000
 16   0     6.1578     6.0000    -0.1578     3.8727     3.8727    -0.0000
 17   0     6.1318     6.0000    -0.1318     3.8785     3.8785    -0.0000
 18   0     6.2029     6.0000    -0.2029     3.9280     3.9280    -0.0000
 19   0     6.0759     6.0000    -0.0759     3.8980     3.8980    -0.0000
 20   0     0.9196     1.0000     0.0804     0.9724     0.9724    -0.0000
 21   0     0.9254     1.0000     0.0746     0.9716     0.9716    -0.0000
 22   0     0.9226     1.0000     0.0774     0.9779     0.9779    -0.0000
 23   0     0.9281     1.0000     0.0719     0.9840     0.9840    -0.0000
 24   0     0.9220     1.0000     0.0780     0.9867     0.9867    -0.0000
 25   0     0.9167     1.0000     0.0833     0.9828     0.9828     0.0000
 26   0     0.9092     1.0000     0.0908     0.9734     0.9734    -0.0000
 27   0     0.9240     1.0000     0.0760     0.9752     0.9752    -0.0000
 28   0     0.9276     1.0000     0.0724     0.9823     0.9823    -0.0000
 29   0     0.9203     1.0000     0.0797     0.9859     0.9859     0.0000
 30   0     6.1565     6.0000    -0.1565     3.8547     3.8547    -0.0000
 31   0     6.1793     6.0000    -0.1793     3.9242     3.9242     0.0000
 32   0     6.1472     6.0000    -0.1472     3.8881     3.8881     0.0000
 33   0     6.1412     6.0000    -0.1412     3.9074     3.9074     0.0000
 34   0     6.1788     6.0000    -0.1788     3.9048     3.9048    -0.0000
 35   0     0.9387     1.0000     0.0613     0.9777     0.9777    -0.0000
 36   0     0.9071     1.0000     0.0929     0.9691     0.9691    -0.0000
 37   0     0.9118     1.0000     0.0882     0.9760     0.9760     0.0000
 38   0     0.9199     1.0000     0.0801     0.9731     0.9731    -0.0000
 39   0     0.9269     1.0000     0.0731     0.9746     0.9746     0.0000
 40   0     0.9178     1.0000     0.0822     0.9795     0.9795     0.0000
 41   0     0.9082     1.0000     0.0918     0.9796     0.9796     0.0000
 42   0     0.9343     1.0000     0.0657     0.9835     0.9835     0.0000
 43   0     0.9206     1.0000     0.0794     0.9758     0.9758    -0.0000
 44   0     0.9106     1.0000     0.0894     0.9724     0.9724     0.0000
 45   0     6.1433     6.0000    -0.1433     3.8815     3.8815    -0.0000
 46   0     6.2151     6.0000    -0.2151     3.8993     3.8993    -0.0000
 47   0     6.1003     6.0000    -0.1003     3.8796     3.8796    -0.0000
 48   0     6.1944     6.0000    -0.1944     3.8724     3.8724    -0.0000
 49   0     6.1900     6.0000    -0.1900     3.8621     3.8621    -0.0000
 50   0     0.9171     1.0000     0.0829     0.9786     0.9786     0.0000
 51   0     0.9095     1.0000     0.0905     0.9744     0.9744    -0.0000
 52   0     0.9080     1.0000     0.0920     0.9725     0.9725     0.0000
 53   0     0.9159     1.0000     0.0841     0.9714     0.9714    -0.0000
 54   0     0.9180     1.0000     0.0820     0.9812     0.9812    -0.0000
 55   0     0.9100     1.0000     0.0900     0.9789     0.9789    -0.0000
 56   0     0.8994     1.0000     0.1006     0.9716     0.9716    -0.0000
 57   0     0.9452     1.0000     0.0548     0.9851     0.9851     0.0000
 58   0     0.9235     1.0000     0.0765     0.9765     0.9765     0.0000
 59   0     0.9141     1.0000     0.0859     0.9769     0.9769    -0.0000
 60   0     6.1469     6.0000    -0.1469     3.8831     3.8831    -0.0000
 61   0     6.1598     6.0000    -0.1598     3.8908     3.8908    -0.0000
 62   0     6.2091     6.0000    -0.2091     3.8949     3.8949    -0.0000
 63   0     6.1508     6.0000    -0.1508     3.8791     3.8791    -0.0000
 64   0     6.1556     6.0000    -0.1556     3.9158     3.9158     0.0000
 65   0     0.9125     1.0000     0.0875     0.9764     0.9764    -0.0000
 66   0     0.9317     1.0000     0.0683     0.9805     0.9805    -0.0000
 67   0     0.9221     1.0000     0.0779     0.9744     0.9744     0.0000
 68   0     0.9077     1.0000     0.0923     0.9772     0.9772    -0.0000
 69   0     0.9127     1.0000     0.0873     0.9738     0.9738    -0.0000
 70   0     0.9014     1.0000     0.0986     0.9692     0.9692    -0.0000
 71   0     0.9146     1.0000     0.0854     0.9717     0.9717    -0.0000
 72   0     0.9284     1.0000     0.0716     0.9887     0.9887    -0.0000
 73   0     0.9397     1.0000     0.0603     0.9922     0.9922    -0.0000
 74   0     0.9050     1.0000     0.0950     0.9734     0.9734    -0.0000
 75   0     6.1409     6.0000    -0.1409     3.8790     3.8790     0.0000
 76   0     6.2252     6.0000    -0.2252     3.8926     3.8926     0.0000
 77   0     6.0910     6.0000    -0.0910     3.8833     3.8833    -0.0000
 78   0     6.2120     6.0000    -0.2120     3.9105     3.9105    -0.0000
 79   0     6.1557     6.0000    -0.1557     3.8938     3.8938     0.0000
 80   0     0.9191     1.0000     0.0809     0.9817     0.9817    -0.0000
 81   0     0.8938     1.0000     0.1062     0.9713     0.9713     0.0000
 82   0     0.9207     1.0000     0.0793     0.9752     0.9752     0.0000
 83   0     0.9161     1.0000     0.0839     0.9724     0.9724     0.0000
 84   0     0.9266     1.0000     0.0734     0.9763     0.9763    -0.0000
 85   0     0.9254     1.0000     0.0746     0.9760     0.9760    -0.0000
 86   0     0.9261     1.0000     0.0739     0.9714     0.9714    -0.0000
 87   0     0.9092     1.0000     0.0908     0.9708     0.9708    -0.0000
 88   0     0.9184     1.0000     0.0816     0.9795     0.9795    -0.0000
 89   0     0.9156     1.0000     0.0844     0.9775     0.9775    -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                0.973795
                0             6               4            6                0.965433
                0             6               5            1                0.991890
                0             6               6            1                0.995526
                1             6               2            6                0.969214
                1             6               7            1                0.993450
                1             6               8            1                0.994005
                2             6               3            6                0.962729
                2             6               9            1                0.994049
                2             6              10            1                0.986615
                3             6               4            6                0.974939
                3             6              11            1                1.000343
                3             6              12            1                0.993353
                4             6              13            1                0.996806
                4             6              14            1                0.990457
               15             6              16            6                0.961822
               15             6              19            6                0.961702
               15             6              20            1                1.000956
               15             6              21            1                1.004592
               16             6              17            6                0.962141
               16             6              22            1                0.991656
               16             6              23            1                0.996656
               17             6              18            6                0.969542
               17             6              24            1                0.991180
               17             6              25            1                0.994183
               18             6              19            6                0.982139
               18             6              26            1                0.995978
               18             6              27            1                0.995521
               19             6              28            1                0.998199
               19             6              29            1                0.999408
               30             6              31            6                0.973385
               30             6              34            6                0.951807
               30             6              35            1                1.001863
               30             6              36            1                0.985559
               31             6              32            6                0.976656
               31             6              37            1                0.987157
               31             6              38            1                0.994642
               32             6              33            6                0.968961
               32             6              39            1                0.991284
               32             6              40            1                0.992714
               33             6              34            6                0.980537
               33             6              41            1                0.990597
               33             6              42            1                0.991572
               34             6              43            1                0.992794
               34             6              44            1                0.992541
               45             6              46            6                0.967318
               45             6              49            6                0.968662
               45             6              50            1                0.991490
               45             6              51            1                0.985496
               46             6              47            6                0.972587
               46             6              52            1                0.989652
               46             6              53            1                0.992937
               47             6              48            6                0.965209
               47             6              54            1                0.990453
               47             6              55            1                0.985087
               48             6              49            6                0.949287
               48             6              56            1                0.990757
               48             6              57            1                0.996470
               49             6              58            1                0.998050
               49             6              59            1                0.989882
               60             6              61            6                0.963869
               60             6              64            6                0.974737
               60             6              65            1                0.992584
               60             6              66            1                0.996956
               61             6              62            6                0.964846
               61             6              67            1                0.996180
               61             6              68            1                0.993080
               62             6              63            6                0.964402
               62             6              69            1                1.002338
               62             6              70            1                0.988723
               63             6              64            6                0.973478
               63             6              71            1                0.996897
               63             6              72            1                0.987241
               64             6              73            1                1.000073
               64             6              74            1                0.985118
               75             6              76            6                0.959450
               75             6              79            6                0.970755
               75             6              80            1                0.995757
               75             6              81            1                0.976300
               76             6              77            6                0.964578
               76             6              82            1                0.996689
               76             6              83            1                0.994788
               77             6              78            6                0.971960
               77             6              84            1                1.001199
               77             6              85            1                0.998405
               78             6              79            6                0.966456
               78             6              86            1                0.995911
               78             6              87            1                0.994672
               79             6              88            1                0.996778
               79             6              89            1                0.995940
# -----------------------------------------------------------
$ 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     6.1610     6.0000    -0.1610     3.9916     3.6726     0.3190
  1   0     6.2150     6.0000    -0.2150     4.0299     3.7029     0.3270
  2   0     6.1043     6.0000    -0.1043     3.9438     3.6285     0.3153
  3   0     6.1813     6.0000    -0.1813     4.0201     3.7001     0.3200
  4   0     6.1994     6.0000    -0.1994     4.0064     3.6827     0.3237
  5   0     0.9109     1.0000     0.0891     0.9834     0.9307     0.0527
  6   0     0.9085     1.0000     0.0915     0.9833     0.9319     0.0514
  7   0     0.9072     1.0000     0.0928     0.9796     0.9269     0.0527
  8   0     0.9126     1.0000     0.0874     0.9854     0.9306     0.0548
  9   0     0.9249     1.0000     0.0751     0.9895     0.9362     0.0533
 10   0     0.9356     1.0000     0.0644     1.0068     0.9524     0.0544
 11   0     0.9111     1.0000     0.0889     0.9821     0.9302     0.0519
 12   0     0.9081     1.0000     0.0919     0.9897     0.9379     0.0518
 13   0     0.9250     1.0000     0.0750     0.9831     0.9275     0.0556
 14   0     0.9008     1.0000     0.0992     0.9817     0.9326     0.0491
 15   0     6.2226     6.0000    -0.2226     4.0102     3.6849     0.3253
 16   0     6.1648     6.0000    -0.1648     3.9817     3.6666     0.3151
 17   0     6.1390     6.0000    -0.1390     3.9872     3.6672     0.3200
 18   0     6.2109     6.0000    -0.2109     4.0390     3.7154     0.3236
 19   0     6.0836     6.0000    -0.0836     3.9988     3.6976     0.3012
 20   0     0.9158     1.0000     0.0842     0.9820     0.9312     0.0508
 21   0     0.9215     1.0000     0.0785     0.9815     0.9255     0.0560
 22   0     0.9186     1.0000     0.0814     0.9871     0.9359     0.0512
 23   0     0.9240     1.0000     0.0760     0.9935     0.9428     0.0507
 24   0     0.9181     1.0000     0.0819     0.9962     0.9448     0.0514
 25   0     0.9128     1.0000     0.0872     0.9920     0.9426     0.0494
 26   0     0.9053     1.0000     0.0947     0.9825     0.9316     0.0509
 27   0     0.9202     1.0000     0.0798     0.9849     0.9305     0.0544
 28   0     0.9238     1.0000     0.0762     0.9920     0.9425     0.0495
 29   0     0.9163     1.0000     0.0837     0.9949     0.9486     0.0463
 30   0     6.1641     6.0000    -0.1641     3.9641     3.6430     0.3211
 31   0     6.1871     6.0000    -0.1871     4.0327     3.7154     0.3173
 32   0     6.1550     6.0000    -0.1550     3.9959     3.6819     0.3140
 33   0     6.1486     6.0000    -0.1486     4.0144     3.6965     0.3179
 34   0     6.1868     6.0000    -0.1868     4.0146     3.6917     0.3229
 35   0     0.9351     1.0000     0.0649     0.9885     0.9338     0.0547
 36   0     0.9032     1.0000     0.0968     0.9782     0.9248     0.0534
 37   0     0.9079     1.0000     0.0921     0.9852     0.9337     0.0515
 38   0     0.9161     1.0000     0.0839     0.9827     0.9315     0.0512
 39   0     0.9231     1.0000     0.0769     0.9846     0.9312     0.0534
 40   0     0.9137     1.0000     0.0863     0.9886     0.9397     0.0489
 41   0     0.9041     1.0000     0.0959     0.9884     0.9397     0.0487
 42   0     0.9308     1.0000     0.0692     0.9941     0.9389     0.0552
 43   0     0.9167     1.0000     0.0833     0.9855     0.9327     0.0528
 44   0     0.9067     1.0000     0.0933     0.9815     0.9319     0.0496
 45   0     6.1508     6.0000    -0.1508     3.9897     3.6663     0.3234
 46   0     6.2228     6.0000    -0.2228     4.0129     3.6802     0.3327
 47   0     6.1085     6.0000    -0.1085     3.9873     3.6638     0.3235
 48   0     6.2014     6.0000    -0.2014     3.9839     3.6572     0.3267
 49   0     6.1972     6.0000    -0.1972     3.9759     3.6468     0.3291
 50   0     0.9132     1.0000     0.0868     0.9878     0.9357     0.0521
 51   0     0.9058     1.0000     0.0942     0.9837     0.9316     0.0521
 52   0     0.9042     1.0000     0.0958     0.9818     0.9289     0.0529
 53   0     0.9121     1.0000     0.0879     0.9811     0.9264     0.0547
 54   0     0.9141     1.0000     0.0859     0.9907     0.9388     0.0519
 55   0     0.9058     1.0000     0.0942     0.9875     0.9357     0.0518
 56   0     0.8955     1.0000     0.1045     0.9801     0.9288     0.0513
 57   0     0.9421     1.0000     0.0579     0.9970     0.9393     0.0577
 58   0     0.9196     1.0000     0.0804     0.9864     0.9334     0.0530
 59   0     0.9103     1.0000     0.0897     0.9865     0.9335     0.0530
 60   0     6.1547     6.0000    -0.1547     3.9931     3.6685     0.3246
 61   0     6.1679     6.0000    -0.1679     4.0024     3.6816     0.3208
 62   0     6.2176     6.0000    -0.2176     4.0114     3.6810     0.3304
 63   0     6.1586     6.0000    -0.1586     3.9910     3.6586     0.3324
 64   0     6.1634     6.0000    -0.1634     4.0249     3.7003     0.3246
 65   0     0.9083     1.0000     0.0917     0.9855     0.9322     0.0533
 66   0     0.9282     1.0000     0.0718     0.9908     0.9366     0.0542
 67   0     0.9178     1.0000     0.0822     0.9838     0.9316     0.0522
 68   0     0.9037     1.0000     0.0963     0.9862     0.9396     0.0466
 69   0     0.9087     1.0000     0.0913     0.9834     0.9322     0.0512
 70   0     0.8973     1.0000     0.1027     0.9781     0.9244     0.0537
 71   0     0.9104     1.0000     0.0896     0.9809     0.9266     0.0543
 72   0     0.9246     1.0000     0.0754     0.9991     0.9438     0.0553
 73   0     0.9359     1.0000     0.0641     1.0027     0.9493     0.0534
 74   0     0.9012     1.0000     0.0988     0.9825     0.9312     0.0513
 75   0     6.1488     6.0000    -0.1488     3.9903     3.6639     0.3264
 76   0     6.2334     6.0000    -0.2334     4.0063     3.6850     0.3213
 77   0     6.0983     6.0000    -0.0983     3.9850     3.6823     0.3027
 78   0     6.2199     6.0000    -0.2199     4.0220     3.6989     0.3231
 79   0     6.1633     6.0000    -0.1633     4.0031     3.6821     0.3210
 80   0     0.9149     1.0000     0.0851     0.9911     0.9424     0.0487
 81   0     0.8900     1.0000     0.1100     0.9801     0.9274     0.0527
 82   0     0.9169     1.0000     0.0831     0.9848     0.9335     0.0513
 83   0     0.9120     1.0000     0.0880     0.9816     0.9301     0.0515
 84   0     0.9227     1.0000     0.0773     0.9859     0.9361     0.0498
 85   0     0.9215     1.0000     0.0785     0.9856     0.9339     0.0517
 86   0     0.9223     1.0000     0.0777     0.9811     0.9246     0.0565
 87   0     0.9056     1.0000     0.0944     0.9800     0.9286     0.0514
 88   0     0.9148     1.0000     0.0852     0.9889     0.9365     0.0524
 89   0     0.9115     1.0000     0.0885     0.9867     0.9362     0.0505
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.912448
                0             6               4            6                0.902066
                0             6               5            1                0.949907
                0             6               6            1                0.954648
                1             6               2            6                0.905874
                1             6               7            1                0.951033
                1             6               8            1                0.949923
                2             6               3            6                0.900490
                2             6               9            1                0.951289
                2             6              10            1                0.947014
                3             6               4            6                0.912640
                3             6              11            1                0.958738
                3             6              12            1                0.952215
                4             6              13            1                0.952258
                4             6              14            1                0.951760
               15             6              16            6                0.900748
               15             6              19            6                0.898423
               15             6              20            1                0.960876
               15             6              21            1                0.959362
               16             6              17            6                0.900724
               16             6              22            1                0.950843
               16             6              23            1                0.956411
               17             6              18            6                0.903201
               17             6              24            1                0.950345
               17             6              25            1                0.954951
               18             6              19            6                0.923238
               18             6              26            1                0.955347
               18             6              27            1                0.951926
               19             6              28            1                0.959341
               19             6              29            1                0.963425
               30             6              31            6                0.912517
               30             6              34            6                0.889083
               30             6              35            1                0.958752
               30             6              36            1                0.942751
               31             6              32            6                0.914052
               31             6              37            1                0.946416
               31             6              38            1                0.954272
               32             6              33            6                0.909085
               32             6              39            1                0.949275
               32             6              40            1                0.954498
               33             6              34            6                0.915027
               33             6              41            1                0.952204
               33             6              42            1                0.948436
               34             6              43            1                0.950985
               34             6              44            1                0.953390
               45             6              46            6                0.903912
               45             6              49            6                0.903242
               45             6              50            1                0.949889
               45             6              51            1                0.944207
               46             6              47            6                0.906170
               46             6              52            1                0.947422
               46             6              53            1                0.948946
               47             6              48            6                0.902597
               47             6              54            1                0.949280
               47             6              55            1                0.943240
               48             6              49            6                0.886306
               48             6              56            1                0.949372
               48             6              57            1                0.951840
               49             6              58            1                0.955895
               49             6              59            1                0.947968
               60             6              61            6                0.900335
               60             6              64            6                0.911936
               60             6              65            1                0.949756
               60             6              66            1                0.954375
               61             6              62            6                0.901243
               61             6              67            1                0.954380
               61             6              68            1                0.956629
               62             6              63            6                0.901248
               62             6              69            1                0.961556
               62             6              70            1                0.945158
               63             6              64            6                0.906853
               63             6              71            1                0.952606
               63             6              72            1                0.943865
               64             6              73            1                0.958337
               64             6              74            1                0.944372
               75             6              76            6                0.894619
               75             6              79            6                0.905110
               75             6              80            1                0.957396
               75             6              81            1                0.934126
               76             6              77            6                0.906483
               76             6              82            1                0.956066
               76             6              83            1                0.953769
               77             6              78            6                0.911569
               77             6              84            1                0.961939
               77             6              85            1                0.957514
               78             6              79            6                0.905478
               78             6              86            1                0.950351
               78             6              87            1                0.953827
               79             6              88            1                0.954848
               79             6              89            1                0.955911
# -----------------------------------------------------------
$ 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     6.2107     6.0000    -0.2107     3.9849     3.6699     0.3150
  1   0     6.2546     6.0000    -0.2546     4.0142     3.6918     0.3224
  2   0     6.1671     6.0000    -0.1671     3.9496     3.6385     0.3111
  3   0     6.2261     6.0000    -0.2261     3.9996     3.6836     0.3160
  4   0     6.2470     6.0000    -0.2470     3.9947     3.6752     0.3195
  5   0     0.8867     1.0000     0.1133     0.9748     0.9231     0.0517
  6   0     0.8846     1.0000     0.1154     0.9738     0.9234     0.0504
  7   0     0.8845     1.0000     0.1155     0.9710     0.9192     0.0518
  8   0     0.8871     1.0000     0.1129     0.9776     0.9240     0.0536
  9   0     0.8979     1.0000     0.1021     0.9792     0.9270     0.0522
 10   0     0.9122     1.0000     0.0878     1.0055     0.9523     0.0532
 11   0     0.8875     1.0000     0.1125     0.9725     0.9215     0.0510
 12   0     0.8840     1.0000     0.1160     0.9820     0.9314     0.0506
 13   0     0.8980     1.0000     0.1020     0.9722     0.9177     0.0545
 14   0     0.8769     1.0000     0.1231     0.9735     0.9254     0.0481
 15   0     6.2628     6.0000    -0.2628     3.9730     3.6522     0.3208
 16   0     6.2195     6.0000    -0.2195     3.9679     3.6571     0.3108
 17   0     6.1998     6.0000    -0.1998     3.9837     3.6679     0.3158
 18   0     6.2552     6.0000    -0.2552     4.0146     3.6952     0.3194
 19   0     6.1508     6.0000    -0.1508     3.9843     3.6867     0.2976
 20   0     0.8895     1.0000     0.1105     0.9756     0.9260     0.0496
 21   0     0.8930     1.0000     0.1070     0.9732     0.9185     0.0547
 22   0     0.8916     1.0000     0.1084     0.9797     0.9297     0.0500
 23   0     0.8953     1.0000     0.1047     0.9855     0.9361     0.0494
 24   0     0.8918     1.0000     0.1082     0.9868     0.9366     0.0502
 25   0     0.8874     1.0000     0.1126     0.9865     0.9383     0.0482
 26   0     0.8817     1.0000     0.1183     0.9764     0.9266     0.0498
 27   0     0.8931     1.0000     0.1069     0.9763     0.9230     0.0533
 28   0     0.8970     1.0000     0.1030     0.9824     0.9339     0.0485
 29   0     0.8901     1.0000     0.1099     0.9868     0.9415     0.0453
 30   0     6.2165     6.0000    -0.2165     3.9582     3.6414     0.3168
 31   0     6.2305     6.0000    -0.2305     4.0083     3.6951     0.3132
 32   0     6.2093     6.0000    -0.2093     3.9827     3.6727     0.3100
 33   0     6.2015     6.0000    -0.2015     4.0035     3.6895     0.3140
 34   0     6.2279     6.0000    -0.2279     3.9957     3.6771     0.3186
 35   0     0.9039     1.0000     0.0961     0.9801     0.9268     0.0533
 36   0     0.8812     1.0000     0.1188     0.9719     0.9195     0.0524
 37   0     0.8846     1.0000     0.1154     0.9759     0.9254     0.0505
 38   0     0.8912     1.0000     0.1088     0.9770     0.9269     0.0501
 39   0     0.8978     1.0000     0.1022     0.9755     0.9231     0.0524
 40   0     0.8884     1.0000     0.1116     0.9799     0.9321     0.0478
 41   0     0.8819     1.0000     0.1181     0.9794     0.9316     0.0478
 42   0     0.9035     1.0000     0.0965     0.9889     0.9349     0.0540
 43   0     0.8946     1.0000     0.1054     0.9771     0.9253     0.0518
 44   0     0.8855     1.0000     0.1145     0.9785     0.9300     0.0485
 45   0     6.2015     6.0000    -0.2015     3.9756     3.6562     0.3194
 46   0     6.2634     6.0000    -0.2634     3.9903     3.6620     0.3283
 47   0     6.1691     6.0000    -0.1691     3.9807     3.6612     0.3195
 48   0     6.2527     6.0000    -0.2527     3.9720     3.6498     0.3222
 49   0     6.2445     6.0000    -0.2445     3.9577     3.6329     0.3248
 50   0     0.8888     1.0000     0.1112     0.9801     0.9290     0.0511
 51   0     0.8842     1.0000     0.1158     0.9768     0.9257     0.0511
 52   0     0.8813     1.0000     0.1187     0.9738     0.9219     0.0519
 53   0     0.8869     1.0000     0.1131     0.9742     0.9206     0.0536
 54   0     0.8928     1.0000     0.1072     0.9822     0.9312     0.0510
 55   0     0.8765     1.0000     0.1235     0.9812     0.9307     0.0505
 56   0     0.8722     1.0000     0.1278     0.9724     0.9222     0.0502
 57   0     0.9114     1.0000     0.0886     0.9895     0.9332     0.0563
 58   0     0.8923     1.0000     0.1077     0.9758     0.9240     0.0518
 59   0     0.8844     1.0000     0.1156     0.9804     0.9286     0.0518
 60   0     6.2014     6.0000    -0.2014     3.9779     3.6579     0.3200
 61   0     6.2233     6.0000    -0.2233     3.9855     3.6688     0.3167
 62   0     6.2551     6.0000    -0.2551     3.9905     3.6649     0.3256
 63   0     6.2119     6.0000    -0.2119     3.9871     3.6594     0.3277
 64   0     6.2133     6.0000    -0.2133     4.0029     3.6826     0.3203
 65   0     0.8856     1.0000     0.1144     0.9761     0.9238     0.0523
 66   0     0.9030     1.0000     0.0970     0.9890     0.9360     0.0530
 67   0     0.8914     1.0000     0.1086     0.9768     0.9259     0.0509
 68   0     0.8796     1.0000     0.1204     0.9782     0.9327     0.0455
 69   0     0.8848     1.0000     0.1152     0.9778     0.9279     0.0499
 70   0     0.8761     1.0000     0.1239     0.9735     0.9210     0.0525
 71   0     0.8884     1.0000     0.1116     0.9754     0.9222     0.0532
 72   0     0.8984     1.0000     0.1016     0.9927     0.9387     0.0540
 73   0     0.9079     1.0000     0.0921     0.9941     0.9421     0.0520
 74   0     0.8797     1.0000     0.1203     0.9769     0.9266     0.0503
 75   0     6.2019     6.0000    -0.2019     3.9828     3.6604     0.3224
 76   0     6.2819     6.0000    -0.2819     3.9940     3.6769     0.3171
 77   0     6.1569     6.0000    -0.1569     3.9674     3.6685     0.2989
 78   0     6.2592     6.0000    -0.2592     4.0004     3.6819     0.3185
 79   0     6.2198     6.0000    -0.2198     3.9958     3.6786     0.3172
 80   0     0.8911     1.0000     0.1089     0.9809     0.9332     0.0477
 81   0     0.8690     1.0000     0.1310     0.9755     0.9239     0.0516
 82   0     0.8887     1.0000     0.1113     0.9770     0.9269     0.0501
 83   0     0.8860     1.0000     0.1140     0.9728     0.9224     0.0504
 84   0     0.8955     1.0000     0.1045     0.9780     0.9293     0.0487
 85   0     0.8960     1.0000     0.1040     0.9781     0.9274     0.0507
 86   0     0.8951     1.0000     0.1049     0.9721     0.9168     0.0553
 87   0     0.8807     1.0000     0.1193     0.9713     0.9209     0.0504
 88   0     0.8868     1.0000     0.1132     0.9813     0.9302     0.0511
 89   0     0.8879     1.0000     0.1121     0.9770     0.9275     0.0495
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.925316
                0             6               4            6                0.914024
                0             6               5            1                0.936209
                0             6               6            1                0.940408
                1             6               2            6                0.917900
                1             6               7            1                0.936903
                1             6               8            1                0.932638
                2             6               3            6                0.913553
                2             6               9            1                0.936963
                2             6              10            1                0.938241
                3             6               4            6                0.920731
                3             6              11            1                0.943099
                3             6              12            1                0.938137
                4             6              13            1                0.935439
                4             6              14            1                0.940552
               15             6              16            6                0.902317
               15             6              19            6                0.902343
               15             6              20            1                0.949185
               15             6              21            1                0.941680
               16             6              17            6                0.912056
               16             6              22            1                0.939710
               16             6              23            1                0.943643
               17             6              18            6                0.910238
               17             6              24            1                0.938188
               17             6              25            1                0.944613
               18             6              19            6                0.930994
               18             6              26            1                0.940026
               18             6              27            1                0.938363
               19             6              28            1                0.945427
               19             6              29            1                0.953299
               30             6              31            6                0.922551
               30             6              34            6                0.900314
               30             6              35            1                0.947394
               30             6              36            1                0.929405
               31             6              32            6                0.918824
               31             6              37            1                0.930860
               31             6              38            1                0.943487
               32             6              33            6                0.924205
               32             6              39            1                0.933580
               32             6              40            1                0.941964
               33             6              34            6                0.920182
               33             6              41            1                0.938890
               33             6              42            1                0.935395
               34             6              43            1                0.935819
               34             6              44            1                0.944082
               45             6              46            6                0.911297
               45             6              49            6                0.911476
               45             6              50            1                0.938802
               45             6              51            1                0.931603
               46             6              47            6                0.914679
               46             6              52            1                0.933782
               46             6              53            1                0.936641
               47             6              48            6                0.914624
               47             6              54            1                0.934978
               47             6              55            1                0.931939
               48             6              49            6                0.895817
               48             6              56            1                0.936487
               48             6              57            1                0.936404
               49             6              58            1                0.941838
               49             6              59            1                0.935788
               60             6              61            6                0.910292
               60             6              64            6                0.922108
               60             6              65            1                0.932111
               60             6              66            1                0.941337
               61             6              62            6                0.904901
               61             6              67            1                0.938399
               61             6              68            1                0.944521
               62             6              63            6                0.916620
               62             6              69            1                0.948088
               62             6              70            1                0.927931
               63             6              64            6                0.912130
               63             6              71            1                0.939227
               63             6              72            1                0.928495
               64             6              73            1                0.945324
               64             6              74            1                0.930937
               75             6              76            6                0.901179
               75             6              79            6                0.915929
               75             6              80            1                0.945675
               75             6              81            1                0.921509
               76             6              77            6                0.916482
               76             6              82            1                0.943649
               76             6              83            1                0.942181
               77             6              78            6                0.919891
               77             6              84            1                0.949945
               77             6              85            1                0.942747
               78             6              79            6                0.918179
               78             6              86            1                0.932915
               78             6              87            1                0.938811
               79             6              88            1                0.941027
               79             6              89            1                0.941278
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1965468470
        Correlation Energy:       -5.0652929063
        Total MP2 Energy:      -1176.2618397533
# -----------------------------------------------------------
$ 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) :        0.4163590878
        Electronic Contribution:
                  0    
      0       0.432277
      1       0.697552
      2      -0.476892
        Nuclear Contribution:
                  0    
      0      -0.562337
      1      -0.795306
      2       0.457903
        Total Dipole moment:
                  0    
      0      -0.130060
      1      -0.097754
      2      -0.018989
# -----------------------------------------------------------
$ 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) :        0.4225689276
        Electronic Contribution:
                  0    
      0       0.430763
      1       0.695357
      2      -0.476259
        Nuclear Contribution:
                  0    
      0      -0.562337
      1      -0.795306
      2       0.457903
        Total Dipole moment:
                  0    
      0      -0.131574
      1      -0.099949
      2      -0.018355
# -----------------------------------------------------------
$ 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) :        0.4542432377
        Electronic Contribution:
                  0    
      0       0.427665
      1       0.678123
      2      -0.466182
        Nuclear Contribution:
                  0    
      0      -0.562337
      1      -0.795306
      2       0.457903
        Total Dipole moment:
                  0    
      0      -0.134673
      1      -0.117183
      2      -0.008279
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     16.200000000000   15.290000000000   23.050000000000
               1 C     17.670000000000   15.110000000000   22.660000000000
               2 C     17.670000000000   14.080000000000   21.510000000000
               3 C     16.360000000000   13.260000000000   21.650000000000
               4 C     15.350000000000   14.160000000000   22.380000000000
               5 H     15.730000000000   16.240000000000   22.760000000000
               6 H     16.120000000000   15.320000000000   24.130000000000
               7 H     18.340000000000   14.780000000000   23.490000000000
               8 H     18.160000000000   16.080000000000   22.360000000000
               9 H     18.510000000000   13.410000000000   21.750000000000
              10 H     17.850000000000   14.540000000000   20.590000000000
              11 H     16.530000000000   12.360000000000   22.250000000000
              12 H     15.950000000000   12.860000000000   20.720000000000
              13 H     14.820000000000   13.570000000000   23.180000000000
              14 H     14.500000000000   14.390000000000   21.810000000000
              15 C     16.650000000000   12.870000000000   17.330000000000
              16 C     17.590000000000   14.040000000000   17.440000000000
              17 C     17.910000000000   14.430000000000   16.000000000000
              18 C     17.230000000000   13.320000000000   15.060000000000
              19 C     16.550000000000   12.310000000000   15.890000000000
              20 H     15.680000000000   13.080000000000   17.700000000000
              21 H     17.040000000000   12.100000000000   18.070000000000
              22 H     18.460000000000   13.750000000000   18.010000000000
              23 H     17.020000000000   14.730000000000   18.000000000000
              24 H     18.960000000000   14.410000000000   15.770000000000
              25 H     17.520000000000   15.390000000000   15.900000000000
              26 H     17.880000000000   12.810000000000   14.370000000000
              27 H     16.490000000000   13.840000000000   14.400000000000
              28 H     17.050000000000   11.390000000000   15.960000000000
              29 H     15.600000000000   12.150000000000   15.600000000000
              30 C     19.770000000000   17.140000000000   13.330000000000
              31 C     18.570000000000   16.820000000000   12.460000000000
              32 C     19.000000000000   15.610000000000   11.610000000000
              33 C     20.080000000000   14.890000000000   12.370000000000
              34 C     20.760000000000   15.990000000000   13.300000000000
              35 H     19.430000000000   17.130000000000   14.360000000000
              36 H     20.340000000000   18.110000000000   13.190000000000
              37 H     18.240000000000   17.690000000000   11.880000000000
              38 H     17.700000000000   16.580000000000   13.040000000000
              39 H     19.380000000000   15.990000000000   10.640000000000
              40 H     18.160000000000   15.040000000000   11.360000000000
              41 H     20.810000000000   14.400000000000   11.780000000000
              42 H     19.540000000000   14.100000000000   12.940000000000
              43 H     21.640000000000   16.440000000000   12.810000000000
              44 H     20.980000000000   15.730000000000   14.300000000000
              45 C     22.490000000000   21.540000000000   20.960000000000
              46 C     23.770000000000   21.000000000000   21.650000000000
              47 C     23.510000000000   19.550000000000   22.270000000000
              48 C     22.050000000000   19.190000000000   21.960000000000
              49 C     21.520000000000   20.290000000000   21.000000000000
              50 H     22.730000000000   21.770000000000   19.910000000000
              51 H     22.000000000000   22.390000000000   21.480000000000
              52 H     24.170000000000   21.730000000000   22.390000000000
              53 H     24.560000000000   20.950000000000   20.850000000000
              54 H     23.510000000000   19.690000000000   23.350000000000
              55 H     24.260000000000   18.840000000000   21.850000000000
              56 H     21.380000000000   18.930000000000   22.790000000000
              57 H     22.000000000000   18.230000000000   21.420000000000
              58 H     20.580000000000   20.570000000000   21.450000000000
              59 H     21.220000000000   20.020000000000   19.980000000000
              60 C     18.830000000000   17.670000000000   18.050000000000
              61 C     18.730000000000   17.140000000000   19.510000000000
              62 C     20.030000000000   16.320000000000   19.760000000000
              63 C     21.060000000000   16.640000000000   18.660000000000
              64 C     20.320000000000   17.620000000000   17.660000000000
              65 H     18.410000000000   18.710000000000   17.990000000000
              66 H     18.180000000000   17.080000000000   17.400000000000
              67 H     17.820000000000   16.550000000000   19.620000000000
              68 H     18.680000000000   17.890000000000   20.180000000000
              69 H     19.850000000000   15.290000000000   19.610000000000
              70 H     20.390000000000   16.440000000000   20.830000000000
              71 H     21.250000000000   15.710000000000   18.040000000000
              72 H     21.980000000000   17.090000000000   19.120000000000
              73 H     20.440000000000   17.170000000000   16.690000000000
              74 H     20.690000000000   18.640000000000   17.610000000000
              75 C     24.840000000000   17.640000000000   19.000000000000
              76 C     25.270000000000   16.710000000000   20.200000000000
              77 C     25.580000000000   15.390000000000   19.640000000000
              78 C     25.380000000000   15.340000000000   18.150000000000
              79 C     24.700000000000   16.650000000000   17.770000000000
              80 H     25.710000000000   18.130000000000   18.750000000000
              81 H     23.970000000000   18.340000000000   19.190000000000
              82 H     24.510000000000   16.640000000000   20.950000000000
              83 H     26.140000000000   17.020000000000   20.770000000000
              84 H     24.920000000000   14.720000000000   20.090000000000
              85 H     26.600000000000   15.100000000000   19.890000000000
              86 H     24.760000000000   14.430000000000   17.830000000000
              87 H     26.280000000000   15.020000000000   17.640000000000
              88 H     23.670000000000   16.470000000000   17.480000000000
              89 H     25.090000000000   17.060000000000   16.860000000000
