-------------------------------------------------------------
----------------------- !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:    -1171.2100040765
# -----------------------------------------------------------
$ 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     6.1728     6.0000    -0.1728     3.8791     3.8791    -0.0000
  1   0     6.1712     6.0000    -0.1712     3.8804     3.8804    -0.0000
  2   0     6.1737     6.0000    -0.1737     3.8951     3.8951    -0.0000
  3   0     6.1616     6.0000    -0.1616     3.8960     3.8960    -0.0000
  4   0     6.1136     6.0000    -0.1136     3.9075     3.9075    -0.0000
  5   0     0.9190     1.0000     0.0810     0.9724     0.9724    -0.0000
  6   0     0.9182     1.0000     0.0818     0.9682     0.9682    -0.0000
  7   0     0.9274     1.0000     0.0726     0.9810     0.9810     0.0000
  8   0     0.9048     1.0000     0.0952     0.9729     0.9729    -0.0000
  9   0     0.9205     1.0000     0.0795     0.9774     0.9774    -0.0000
 10   0     0.9180     1.0000     0.0820     0.9766     0.9766    -0.0000
 11   0     0.9300     1.0000     0.0700     0.9753     0.9753    -0.0000
 12   0     0.9147     1.0000     0.0853     0.9763     0.9763    -0.0000
 13   0     0.9301     1.0000     0.0699     0.9835     0.9835    -0.0000
 14   0     0.9214     1.0000     0.0786     0.9764     0.9764    -0.0000
 15   0     6.1641     6.0000    -0.1641     3.8782     3.8782    -0.0000
 16   0     6.1725     6.0000    -0.1725     3.8796     3.8796    -0.0000
 17   0     6.1599     6.0000    -0.1599     3.9207     3.9207    -0.0000
 18   0     6.1235     6.0000    -0.1235     3.8708     3.8708    -0.0000
 19   0     6.1889     6.0000    -0.1889     3.8955     3.8955    -0.0000
 20   0     0.9195     1.0000     0.0805     0.9782     0.9782    -0.0000
 21   0     0.9148     1.0000     0.0852     0.9741     0.9741    -0.0000
 22   0     0.9202     1.0000     0.0798     0.9798     0.9798     0.0000
 23   0     0.9169     1.0000     0.0831     0.9791     0.9791    -0.0000
 24   0     0.9094     1.0000     0.0906     0.9761     0.9761     0.0000
 25   0     0.9333     1.0000     0.0667     0.9784     0.9784     0.0000
 26   0     0.9133     1.0000     0.0867     0.9734     0.9734    -0.0000
 27   0     0.9342     1.0000     0.0658     0.9834     0.9834    -0.0000
 28   0     0.9244     1.0000     0.0756     0.9764     0.9764     0.0000
 29   0     0.9060     1.0000     0.0940     0.9734     0.9734    -0.0000
 30   0     6.1726     6.0000    -0.1726     3.9053     3.9053    -0.0000
 31   0     6.1675     6.0000    -0.1675     3.8965     3.8965    -0.0000
 32   0     6.1695     6.0000    -0.1695     3.8613     3.8613    -0.0000
 33   0     6.1298     6.0000    -0.1298     3.9257     3.9257    -0.0000
 34   0     6.1308     6.0000    -0.1308     3.8901     3.8901    -0.0000
 35   0     0.9100     1.0000     0.0900     0.9696     0.9696     0.0000
 36   0     0.9223     1.0000     0.0777     0.9823     0.9823    -0.0000
 37   0     0.9112     1.0000     0.0888     0.9744     0.9744    -0.0000
 38   0     0.9249     1.0000     0.0751     0.9775     0.9775     0.0000
 39   0     0.9128     1.0000     0.0872     0.9678     0.9678    -0.0000
 40   0     0.9353     1.0000     0.0647     0.9776     0.9776    -0.0000
 41   0     0.9599     1.0000     0.0401     0.9964     0.9964     0.0000
 42   0     0.9062     1.0000     0.0938     0.9748     0.9748    -0.0000
 43   0     0.9091     1.0000     0.0909     0.9760     0.9760    -0.0000
 44   0     0.9304     1.0000     0.0696     0.9842     0.9842     0.0000
 45   0     6.0860     6.0000    -0.0860     3.8554     3.8554    -0.0000
 46   0     6.2313     6.0000    -0.2313     3.9318     3.9318    -0.0000
 47   0     6.1348     6.0000    -0.1348     3.9253     3.9253    -0.0000
 48   0     6.0275     6.0000    -0.0275     3.8711     3.8711     0.0000
 49   0     6.2451     6.0000    -0.2451     3.9452     3.9452    -0.0000
 50   0     0.9080     1.0000     0.0920     0.9701     0.9701    -0.0000
 51   0     0.9405     1.0000     0.0595     0.9916     0.9916    -0.0000
 52   0     0.9069     1.0000     0.0931     0.9681     0.9681    -0.0000
 53   0     0.9395     1.0000     0.0605     0.9768     0.9768    -0.0000
 54   0     0.9092     1.0000     0.0908     0.9751     0.9751    -0.0000
 55   0     0.9335     1.0000     0.0665     0.9741     0.9741    -0.0000
 56   0     0.9317     1.0000     0.0683     0.9924     0.9924     0.0000
 57   0     0.9840     1.0000     0.0160     1.0120     1.0120     0.0000
 58   0     0.9173     1.0000     0.0827     0.9710     0.9710    -0.0000
 59   0     0.9125     1.0000     0.0875     0.9817     0.9817    -0.0000
 60   0     6.2048     6.0000    -0.2048     3.8923     3.8923     0.0000
 61   0     6.1531     6.0000    -0.1531     3.8901     3.8901     0.0000
 62   0     6.1722     6.0000    -0.1722     3.9110     3.9110     0.0000
 63   0     6.1501     6.0000    -0.1501     3.8857     3.8857     0.0000
 64   0     6.1377     6.0000    -0.1377     3.8781     3.8781     0.0000
 65   0     0.9156     1.0000     0.0844     0.9755     0.9755     0.0000
 66   0     0.9171     1.0000     0.0829     0.9725     0.9725     0.0000
 67   0     0.9250     1.0000     0.0750     0.9728     0.9728    -0.0000
 68   0     0.9025     1.0000     0.0975     0.9740     0.9740     0.0000
 69   0     0.9145     1.0000     0.0855     0.9734     0.9734     0.0000
 70   0     0.9192     1.0000     0.0808     0.9796     0.9796     0.0000
 71   0     0.9296     1.0000     0.0704     0.9736     0.9736     0.0000
 72   0     0.9107     1.0000     0.0893     0.9752     0.9752     0.0000
 73   0     0.9208     1.0000     0.0792     0.9824     0.9824     0.0000
 74   0     0.9270     1.0000     0.0730     0.9800     0.9800     0.0000
 75   0     6.1771     6.0000    -0.1771     3.8996     3.8996     0.0000
 76   0     6.1344     6.0000    -0.1344     3.8779     3.8779     0.0000
 77   0     6.1468     6.0000    -0.1468     3.9047     3.9047    -0.0000
 78   0     6.1576     6.0000    -0.1576     3.9252     3.9252     0.0000
 79   0     6.1608     6.0000    -0.1608     3.8616     3.8616     0.0000
 80   0     0.9339     1.0000     0.0661     0.9892     0.9892     0.0000
 81   0     0.9214     1.0000     0.0786     0.9808     0.9808     0.0000
 82   0     0.9281     1.0000     0.0719     0.9769     0.9769     0.0000
 83   0     0.9115     1.0000     0.0885     0.9745     0.9745     0.0000
 84   0     0.9273     1.0000     0.0727     0.9803     0.9803    -0.0000
 85   0     0.9217     1.0000     0.0783     0.9759     0.9759    -0.0000
 86   0     0.9175     1.0000     0.0825     0.9748     0.9748    -0.0000
 87   0     0.9163     1.0000     0.0837     0.9774     0.9774     0.0000
 88   0     0.9267     1.0000     0.0733     0.9751     0.9751     0.0000
 89   0     0.9203     1.0000     0.0797     0.9770     0.9770     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                0.957813
                0             6               4            6                0.962566
                0             6               5            1                0.992805
                0             6               6            1                0.999290
                1             6               2            6                0.971671
                1             6               7            1                0.992906
                1             6               8            1                0.981529
                2             6               3            6                0.968725
                2             6               9            1                0.995291
                2             6              10            1                0.988132
                3             6               4            6                0.982364
                3             6              11            1                0.992288
                3             6              12            1                0.994967
                4             6              13            1                0.987003
                4             6              14            1                0.988730
               15             6              16            6                0.957628
               15             6              19            6                0.971323
               15             6              20            1                0.993139
               15             6              21            1                0.991616
               16             6              17            6                0.966320
               16             6              22            1                0.995543
               16             6              23            1                0.995976
               17             6              18            6                0.976259
               17             6              24            1                0.987020
               17             6              25            1                0.997394
               18             6              19            6                0.960600
               18             6              26            1                0.988389
               18             6              27            1                0.996811
               19             6              28            1                0.995840
               19             6              29            1                0.986286
               30             6              31            6                0.978106
               30             6              34            6                0.967710
               30             6              35            1                0.996807
               30             6              36            1                0.999916
               31             6              32            6                0.960570
               31             6              37            1                0.991355
               31             6              38            1                0.994131
               32             6              33            6                0.965982
               32             6              39            1                0.972234
               32             6              40            1                0.997222
               33             6              34            6                0.979040
               33             6              41            1                0.998429
               33             6              42            1                0.998407
               34             6              43            1                0.985481
               34             6              44            1                0.994590
               45             6              46            6                0.967275
               45             6              49            6                0.972745
               45             6              50            1                0.986495
               45             6              51            1                0.998002
               46             6              47            6                0.983213
               46             6              52            1                0.989918
               46             6              53            1                1.001244
               47             6              48            6                0.968726
               47             6              54            1                0.988515
               47             6              55            1                0.994800
               48             6              49            6                0.982948
               48             6              56            1                0.989953
               48             6              57            1                0.991966
               49             6              58            1                0.990059
               49             6              59            1                0.997798
               60             6              61            6                0.963625
               60             6              64            6                0.973161
               60             6              65            1                0.992120
               60             6              66            1                0.991763
               61             6              62            6                0.971651
               61             6              67            1                0.999627
               61             6              68            1                0.992028
               62             6              63            6                0.974006
               62             6              69            1                0.990805
               62             6              70            1                0.995596
               63             6              64            6                0.966586
               63             6              71            1                0.993550
               63             6              72            1                0.991302
               64             6              73            1                0.985742
               64             6              74            1                0.992349
               75             6              76            6                0.961500
               75             6              79            6                0.962071
               75             6              80            1                0.993181
               75             6              81            1                0.998365
               76             6              77            6                0.967518
               76             6              82            1                1.004553
               76             6              83            1                0.987519
               77             6              78            6                0.983594
               77             6              84            1                1.000768
               77             6              85            1                0.987407
               78             6              79            6                0.970927
               78             6              86            1                1.000304
               78             6              87            1                0.987134
               79             6              88            1                0.993169
               79             6              89            1                0.989678
# -----------------------------------------------------------
$ 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     6.1821     6.0000    -0.1821     3.9927     3.6663     0.3264
  1   0     6.1780     6.0000    -0.1780     3.9900     3.6647     0.3253
  2   0     6.1816     6.0000    -0.1816     4.0056     3.6826     0.3230
  3   0     6.1690     6.0000    -0.1690     4.0039     3.6828     0.3211
  4   0     6.1218     6.0000    -0.1218     4.0135     3.6944     0.3191
  5   0     0.9148     1.0000     0.0852     0.9819     0.9290     0.0529
  6   0     0.9141     1.0000     0.0859     0.9775     0.9258     0.0517
  7   0     0.9240     1.0000     0.0760     0.9913     0.9372     0.0541
  8   0     0.9008     1.0000     0.0992     0.9818     0.9298     0.0520
  9   0     0.9166     1.0000     0.0834     0.9870     0.9334     0.0536
 10   0     0.9141     1.0000     0.0859     0.9862     0.9347     0.0515
 11   0     0.9263     1.0000     0.0737     0.9856     0.9306     0.0550
 12   0     0.9107     1.0000     0.0893     0.9855     0.9335     0.0520
 13   0     0.9264     1.0000     0.0736     0.9933     0.9388     0.0545
 14   0     0.9173     1.0000     0.0827     0.9858     0.9349     0.0509
 15   0     6.1716     6.0000    -0.1716     3.9880     3.6628     0.3252
 16   0     6.1795     6.0000    -0.1795     3.9893     3.6701     0.3192
 17   0     6.1679     6.0000    -0.1679     4.0288     3.7076     0.3212
 18   0     6.1312     6.0000    -0.1312     3.9772     3.6586     0.3186
 19   0     6.1965     6.0000    -0.1965     4.0066     3.6825     0.3241
 20   0     0.9158     1.0000     0.0842     0.9878     0.9347     0.0531
 21   0     0.9111     1.0000     0.0889     0.9836     0.9324     0.0512
 22   0     0.9164     1.0000     0.0836     0.9893     0.9391     0.0502
 23   0     0.9133     1.0000     0.0867     0.9887     0.9382     0.0505
 24   0     0.9055     1.0000     0.0945     0.9851     0.9339     0.0512
 25   0     0.9296     1.0000     0.0704     0.9887     0.9341     0.0546
 26   0     0.9092     1.0000     0.0908     0.9825     0.9300     0.0525
 27   0     0.9304     1.0000     0.0696     0.9934     0.9382     0.0552
 28   0     0.9205     1.0000     0.0795     0.9862     0.9338     0.0524
 29   0     0.9023     1.0000     0.0977     0.9826     0.9321     0.0505
 30   0     6.1801     6.0000    -0.1801     4.0130     3.6980     0.3150
 31   0     6.1757     6.0000    -0.1757     4.0059     3.6848     0.3211
 32   0     6.1767     6.0000    -0.1767     3.9725     3.6460     0.3265
 33   0     6.1379     6.0000    -0.1379     4.0321     3.7202     0.3119
 34   0     6.1386     6.0000    -0.1386     3.9978     3.6818     0.3160
 35   0     0.9059     1.0000     0.0941     0.9787     0.9283     0.0504
 36   0     0.9185     1.0000     0.0815     0.9918     0.9390     0.0528
 37   0     0.9074     1.0000     0.0926     0.9835     0.9322     0.0513
 38   0     0.9210     1.0000     0.0790     0.9871     0.9336     0.0535
 39   0     0.9092     1.0000     0.0908     0.9787     0.9247     0.0540
 40   0     0.9308     1.0000     0.0692     0.9875     0.9352     0.0523
 41   0     0.9562     1.0000     0.0438     1.0078     0.9532     0.0546
 42   0     0.9016     1.0000     0.0984     0.9829     0.9372     0.0457
 43   0     0.9055     1.0000     0.0945     0.9856     0.9304     0.0552
 44   0     0.9264     1.0000     0.0736     0.9936     0.9406     0.0530
 45   0     6.0947     6.0000    -0.0947     3.9629     3.6446     0.3183
 46   0     6.2388     6.0000    -0.2388     4.0434     3.7173     0.3261
 47   0     6.1442     6.0000    -0.1442     4.0359     3.7139     0.3220
 48   0     6.0346     6.0000    -0.0346     3.9708     3.6599     0.3109
 49   0     6.2538     6.0000    -0.2538     4.0616     3.7291     0.3325
 50   0     0.9038     1.0000     0.0962     0.9789     0.9270     0.0519
 51   0     0.9362     1.0000     0.0638     1.0014     0.9497     0.0517
 52   0     0.9026     1.0000     0.0974     0.9770     0.9234     0.0536
 53   0     0.9354     1.0000     0.0646     0.9867     0.9313     0.0554
 54   0     0.9051     1.0000     0.0949     0.9841     0.9325     0.0516
 55   0     0.9290     1.0000     0.0710     0.9837     0.9287     0.0550
 56   0     0.9274     1.0000     0.0726     1.0021     0.9530     0.0491
 57   0     0.9809     1.0000     0.0191     1.0246     0.9679     0.0567
 58   0     0.9131     1.0000     0.0869     0.9803     0.9264     0.0539
 59   0     0.9085     1.0000     0.0915     0.9907     0.9390     0.0517
 60   0     6.2126     6.0000    -0.2126     4.0049     3.6795     0.3254
 61   0     6.1609     6.0000    -0.1609     3.9984     3.6785     0.3199
 62   0     6.1796     6.0000    -0.1796     4.0186     3.7020     0.3166
 63   0     6.1581     6.0000    -0.1581     3.9948     3.6723     0.3225
 64   0     6.1448     6.0000    -0.1448     3.9850     3.6670     0.3180
 65   0     0.9117     1.0000     0.0883     0.9848     0.9300     0.0548
 66   0     0.9132     1.0000     0.0868     0.9820     0.9290     0.0530
 67   0     0.9212     1.0000     0.0788     0.9824     0.9262     0.0562
 68   0     0.8987     1.0000     0.1013     0.9828     0.9334     0.0494
 69   0     0.9107     1.0000     0.0893     0.9826     0.9304     0.0522
 70   0     0.9155     1.0000     0.0845     0.9893     0.9398     0.0495
 71   0     0.9258     1.0000     0.0742     0.9836     0.9272     0.0564
 72   0     0.9068     1.0000     0.0932     0.9843     0.9332     0.0511
 73   0     0.9172     1.0000     0.0828     0.9923     0.9383     0.0540
 74   0     0.9231     1.0000     0.0769     0.9898     0.9378     0.0520
 75   0     6.1831     6.0000    -0.1831     4.0066     3.6879     0.3187
 76   0     6.1428     6.0000    -0.1428     3.9857     3.6688     0.3169
 77   0     6.1543     6.0000    -0.1543     4.0100     3.7010     0.3090
 78   0     6.1656     6.0000    -0.1656     4.0327     3.7155     0.3172
 79   0     6.1694     6.0000    -0.1694     3.9743     3.6494     0.3249
 80   0     0.9307     1.0000     0.0693     1.0002     0.9467     0.0535
 81   0     0.9175     1.0000     0.0825     0.9901     0.9410     0.0491
 82   0     0.9242     1.0000     0.0758     0.9867     0.9340     0.0527
 83   0     0.9076     1.0000     0.0924     0.9837     0.9323     0.0514
 84   0     0.9234     1.0000     0.0766     0.9899     0.9390     0.0509
 85   0     0.9179     1.0000     0.0821     0.9855     0.9349     0.0506
 86   0     0.9136     1.0000     0.0864     0.9841     0.9332     0.0509
 87   0     0.9125     1.0000     0.0875     0.9867     0.9330     0.0537
 88   0     0.9226     1.0000     0.0774     0.9846     0.9298     0.0548
 89   0     0.9163     1.0000     0.0837     0.9864     0.9335     0.0529
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.893329
                0             6               4            6                0.900753
                0             6               5            1                0.950757
                0             6               6            1                0.957662
                1             6               2            6                0.908490
                1             6               7            1                0.950294
                1             6               8            1                0.940019
                2             6               3            6                0.906143
                2             6               9            1                0.952480
                2             6              10            1                0.947527
                3             6               4            6                0.919401
                3             6              11            1                0.948840
                3             6              12            1                0.953591
                4             6              13            1                0.943707
                4             6              14            1                0.948408
               15             6              16            6                0.894054
               15             6              19            6                0.905274
               15             6              20            1                0.950912
               15             6              21            1                0.951196
               16             6              17            6                0.902792
               16             6              22            1                0.956059
               16             6              23            1                0.956345
               17             6              18            6                0.914838
               17             6              24            1                0.946364
               17             6              25            1                0.954183
               18             6              19            6                0.898649
               18             6              26            1                0.946527
               18             6              27            1                0.952749
               19             6              28            1                0.954328
               19             6              29            1                0.946461
               30             6              31            6                0.916749
               30             6              34            6                0.907469
               30             6              35            1                0.956610
               30             6              36            1                0.957743
               31             6              32            6                0.896752
               31             6              37            1                0.950528
               31             6              38            1                0.951561
               32             6              33            6                0.901463
               32             6              39            1                0.930293
               32             6              40            1                0.955612
               33             6              34            6                0.920935
               33             6              41            1                0.956402
               33             6              42            1                0.961712
               34             6              43            1                0.941614
               34             6              44            1                0.952426
               45             6              46            6                0.905510
               45             6              49            6                0.908408
               45             6              50            1                0.944484
               45             6              51            1                0.957092
               46             6              47            6                0.922666
               46             6              52            1                0.946430
               46             6              53            1                0.956696
               47             6              48            6                0.906655
               47             6              54            1                0.947328
               47             6              55            1                0.950677
               48             6              49            6                0.918882
               48             6              56            1                0.951784
               48             6              57            1                0.948935
               49             6              58            1                0.946838
               49             6              59            1                0.956495
               60             6              61            6                0.902251
               60             6              64            6                0.911382
               60             6              65            1                0.947955
               60             6              66            1                0.949429
               61             6              62            6                0.909311
               61             6              67            1                0.954089
               61             6              68            1                0.952835
               62             6              63            6                0.911496
               62             6              69            1                0.949047
               62             6              70            1                0.957002
               63             6              64            6                0.904299
               63             6              71            1                0.948471
               63             6              72            1                0.950748
               64             6              73            1                0.943280
               64             6              74            1                0.951440
               75             6              76            6                0.896391
               75             6              79            6                0.899404
               75             6              80            1                0.951934
               75             6              81            1                0.959558
               76             6              77            6                0.909218
               76             6              82            1                0.962541
               76             6              83            1                0.946660
               77             6              78            6                0.921634
               77             6              84            1                0.960609
               77             6              85            1                0.947887
               78             6              79            6                0.910377
               78             6              86            1                0.959916
               78             6              87            1                0.944207
               79             6              88            1                0.949062
               79             6              89            1                0.947540
# -----------------------------------------------------------
$ 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     6.2326     6.0000    -0.2326     3.9734     3.6514     0.3220
  1   0     6.2238     6.0000    -0.2238     3.9713     3.6504     0.3209
  2   0     6.2274     6.0000    -0.2274     3.9868     3.6682     0.3186
  3   0     6.2168     6.0000    -0.2168     3.9819     3.6652     0.3167
  4   0     6.1757     6.0000    -0.1757     3.9866     3.6716     0.3150
  5   0     0.8926     1.0000     0.1074     0.9745     0.9227     0.0518
  6   0     0.8865     1.0000     0.1135     0.9744     0.9240     0.0504
  7   0     0.8950     1.0000     0.1050     0.9856     0.9329     0.0527
  8   0     0.8812     1.0000     0.1188     0.9755     0.9245     0.0510
  9   0     0.8896     1.0000     0.1104     0.9794     0.9272     0.0522
 10   0     0.8906     1.0000     0.1094     0.9782     0.9277     0.0505
 11   0     0.8995     1.0000     0.1005     0.9794     0.9257     0.0537
 12   0     0.8875     1.0000     0.1125     0.9778     0.9269     0.0509
 13   0     0.9001     1.0000     0.0999     0.9913     0.9381     0.0532
 14   0     0.8951     1.0000     0.1049     0.9782     0.9282     0.0500
 15   0     6.2172     6.0000    -0.2172     3.9684     3.6472     0.3212
 16   0     6.2339     6.0000    -0.2339     3.9763     3.6610     0.3153
 17   0     6.2178     6.0000    -0.2178     4.0074     3.6903     0.3171
 18   0     6.1872     6.0000    -0.1872     3.9679     3.6536     0.3143
 19   0     6.2448     6.0000    -0.2448     3.9852     3.6651     0.3201
 20   0     0.8904     1.0000     0.1096     0.9801     0.9281     0.0520
 21   0     0.8874     1.0000     0.1126     0.9761     0.9259     0.0502
 22   0     0.8894     1.0000     0.1106     0.9794     0.9303     0.0491
 23   0     0.8868     1.0000     0.1132     0.9805     0.9311     0.0494
 24   0     0.8834     1.0000     0.1166     0.9780     0.9278     0.0502
 25   0     0.9020     1.0000     0.0980     0.9842     0.9309     0.0533
 26   0     0.8879     1.0000     0.1121     0.9764     0.9249     0.0515
 27   0     0.8980     1.0000     0.1020     0.9858     0.9320     0.0538
 28   0     0.8936     1.0000     0.1064     0.9760     0.9247     0.0513
 29   0     0.8797     1.0000     0.1203     0.9768     0.9273     0.0495
 30   0     6.2301     6.0000    -0.2301     3.9964     3.6856     0.3108
 31   0     6.2216     6.0000    -0.2216     3.9821     3.6653     0.3168
 32   0     6.2191     6.0000    -0.2191     3.9544     3.6326     0.3218
 33   0     6.2069     6.0000    -0.2069     4.0112     3.7033     0.3079
 34   0     6.1867     6.0000    -0.1867     3.9831     3.6717     0.3114
 35   0     0.8832     1.0000     0.1168     0.9710     0.9216     0.0494
 36   0     0.8904     1.0000     0.1096     0.9812     0.9296     0.0516
 37   0     0.8830     1.0000     0.1170     0.9771     0.9269     0.0502
 38   0     0.8937     1.0000     0.1063     0.9771     0.9247     0.0524
 39   0     0.8914     1.0000     0.1086     0.9812     0.9285     0.0527
 40   0     0.9078     1.0000     0.0922     0.9856     0.9346     0.0510
 41   0     0.9192     1.0000     0.0808     0.9967     0.9437     0.0530
 42   0     0.8777     1.0000     0.1223     0.9766     0.9320     0.0446
 43   0     0.8855     1.0000     0.1145     0.9863     0.9323     0.0540
 44   0     0.8986     1.0000     0.1014     0.9827     0.9308     0.0519
 45   0     6.1534     6.0000    -0.1534     3.9502     3.6362     0.3140
 46   0     6.2737     6.0000    -0.2737     4.0187     3.6979     0.3208
 47   0     6.1922     6.0000    -0.1922     4.0074     3.6899     0.3175
 48   0     6.1318     6.0000    -0.1318     3.9797     3.6727     0.3070
 49   0     6.2842     6.0000    -0.2842     4.0277     3.7000     0.3277
 50   0     0.8813     1.0000     0.1187     0.9737     0.9230     0.0507
 51   0     0.9110     1.0000     0.0890     0.9947     0.9442     0.0505
 52   0     0.8823     1.0000     0.1177     0.9739     0.9215     0.0524
 53   0     0.9063     1.0000     0.0937     0.9802     0.9262     0.0540
 54   0     0.8824     1.0000     0.1176     0.9775     0.9270     0.0505
 55   0     0.9007     1.0000     0.0993     0.9805     0.9270     0.0535
 56   0     0.8957     1.0000     0.1043     0.9912     0.9436     0.0476
 57   0     0.9442     1.0000     0.0558     1.0196     0.9643     0.0553
 58   0     0.8895     1.0000     0.1105     0.9749     0.9221     0.0528
 59   0     0.8827     1.0000     0.1173     0.9836     0.9332     0.0504
 60   0     6.2562     6.0000    -0.2562     3.9926     3.6717     0.3209
 61   0     6.2095     6.0000    -0.2095     3.9858     3.6702     0.3156
 62   0     6.2332     6.0000    -0.2332     4.0029     3.6901     0.3128
 63   0     6.2037     6.0000    -0.2037     3.9793     3.6612     0.3181
 64   0     6.2000     6.0000    -0.2000     3.9781     3.6644     0.3137
 65   0     0.8854     1.0000     0.1146     0.9763     0.9227     0.0536
 66   0     0.8892     1.0000     0.1108     0.9743     0.9224     0.0519
 67   0     0.8957     1.0000     0.1043     0.9736     0.9184     0.0552
 68   0     0.8772     1.0000     0.1228     0.9764     0.9280     0.0484
 69   0     0.8860     1.0000     0.1140     0.9734     0.9222     0.0512
 70   0     0.8896     1.0000     0.1104     0.9799     0.9315     0.0484
 71   0     0.9021     1.0000     0.0979     0.9757     0.9203     0.0554
 72   0     0.8835     1.0000     0.1165     0.9770     0.9270     0.0500
 73   0     0.8915     1.0000     0.1085     0.9854     0.9326     0.0528
 74   0     0.8971     1.0000     0.1029     0.9804     0.9295     0.0509
 75   0     6.2316     6.0000    -0.2316     3.9865     3.6718     0.3147
 76   0     6.1935     6.0000    -0.1935     3.9705     3.6577     0.3128
 77   0     6.2086     6.0000    -0.2086     3.9959     3.6909     0.3050
 78   0     6.2121     6.0000    -0.2121     4.0092     3.6962     0.3130
 79   0     6.2232     6.0000    -0.2232     3.9697     3.6492     0.3205
 80   0     0.9031     1.0000     0.0969     0.9961     0.9438     0.0523
 81   0     0.8904     1.0000     0.1096     0.9796     0.9316     0.0480
 82   0     0.8991     1.0000     0.1009     0.9785     0.9268     0.0517
 83   0     0.8854     1.0000     0.1146     0.9768     0.9264     0.0504
 84   0     0.8958     1.0000     0.1042     0.9799     0.9301     0.0498
 85   0     0.8934     1.0000     0.1066     0.9776     0.9280     0.0496
 86   0     0.8905     1.0000     0.1095     0.9767     0.9268     0.0499
 87   0     0.8880     1.0000     0.1120     0.9786     0.9259     0.0527
 88   0     0.8946     1.0000     0.1054     0.9760     0.9224     0.0536
 89   0     0.8915     1.0000     0.1085     0.9802     0.9285     0.0517
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.897954
                0             6               4            6                0.909378
                0             6               5            1                0.934331
                0             6               6            1                0.947150
                1             6               2            6                0.913325
                1             6               7            1                0.940841
                1             6               8            1                0.926416
                2             6               3            6                0.918789
                2             6               9            1                0.938012
                2             6              10            1                0.935274
                3             6               4            6                0.922951
                3             6              11            1                0.935520
                3             6              12            1                0.938661
                4             6              13            1                0.928107
                4             6              14            1                0.935217
               15             6              16            6                0.903616
               15             6              19            6                0.907473
               15             6              20            1                0.939281
               15             6              21            1                0.939744
               16             6              17            6                0.907816
               16             6              22            1                0.944098
               16             6              23            1                0.944954
               17             6              18            6                0.925782
               17             6              24            1                0.933279
               17             6              25            1                0.942474
               18             6              19            6                0.909692
               18             6              26            1                0.932828
               18             6              27            1                0.939478
               19             6              28            1                0.941455
               19             6              29            1                0.935879
               30             6              31            6                0.925456
               30             6              34            6                0.921156
               30             6              35            1                0.941487
               30             6              36            1                0.940824
               31             6              32            6                0.901547
               31             6              37            1                0.938217
               31             6              38            1                0.935888
               32             6              33            6                0.901491
               32             6              39            1                0.920832
               32             6              40            1                0.940938
               33             6              34            6                0.932749
               33             6              41            1                0.938563
               33             6              42            1                0.951511
               34             6              43            1                0.923872
               34             6              44            1                0.936160
               45             6              46            6                0.913154
               45             6              49            6                0.916387
               45             6              50            1                0.932302
               45             6              51            1                0.942483
               46             6              47            6                0.931743
               46             6              52            1                0.928088
               46             6              53            1                0.938596
               47             6              48            6                0.918297
               47             6              54            1                0.931824
               47             6              55            1                0.933957
               48             6              49            6                0.925580
               48             6              56            1                0.937001
               48             6              57            1                0.937926
               49             6              58            1                0.929936
               49             6              59            1                0.940536
               60             6              61            6                0.915723
               60             6              64            6                0.920401
               60             6              65            1                0.932110
               60             6              66            1                0.937248
               61             6              62            6                0.916176
               61             6              67            1                0.937520
               61             6              68            1                0.940674
               62             6              63            6                0.920741
               62             6              69            1                0.935646
               62             6              70            1                0.944970
               63             6              64            6                0.917421
               63             6              71            1                0.931235
               63             6              72            1                0.938967
               64             6              73            1                0.929952
               64             6              74            1                0.937791
               75             6              76            6                0.900540
               75             6              79            6                0.908848
               75             6              80            1                0.937256
               75             6              81            1                0.948604
               76             6              77            6                0.924765
               76             6              82            1                0.948498
               76             6              83            1                0.933846
               77             6              78            6                0.925787
               77             6              84            1                0.946730
               77             6              85            1                0.934275
               78             6              79            6                0.924031
               78             6              86            1                0.945727
               78             6              87            1                0.928514
               79             6              88            1                0.935781
               79             6              89            1                0.933295
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2100040765
        Correlation Energy:       -5.0717049293
        Total MP2 Energy:      -1176.2817090057
# -----------------------------------------------------------
$ 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) :        0.3417329008
        Electronic Contribution:
                  0    
      0      -0.580577
      1      -0.213763
      2       0.199705
        Nuclear Contribution:
                  0    
      0       0.554304
      1       0.345436
      2      -0.192801
        Total Dipole moment:
                  0    
      0      -0.026273
      1       0.131672
      2       0.006903
# -----------------------------------------------------------
$ 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) :        0.3416555005
        Electronic Contribution:
                  0    
      0      -0.579243
      1      -0.213512
      2       0.199244
        Nuclear Contribution:
                  0    
      0       0.554304
      1       0.345436
      2      -0.192801
        Total Dipole moment:
                  0    
      0      -0.024939
      1       0.131924
      2       0.006443
# -----------------------------------------------------------
$ 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) :        0.3054184171
        Electronic Contribution:
                  0    
      0      -0.547920
      1      -0.225611
      2       0.186523
        Nuclear Contribution:
                  0    
      0       0.554304
      1       0.345436
      2      -0.192801
        Total Dipole moment:
                  0    
      0       0.006384
      1       0.119824
      2      -0.006278
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     16.360000000000   21.080000000000   23.360000000000
               1 C     16.340000000000   19.690000000000   24.090000000000
               2 C     16.880000000000   20.020000000000   25.500000000000
               3 C     17.370000000000   21.470000000000   25.510000000000
               4 C     16.910000000000   22.190000000000   24.230000000000
               5 H     15.350000000000   21.340000000000   22.990000000000
               6 H     16.940000000000   20.930000000000   22.470000000000
               7 H     17.060000000000   19.070000000000   23.550000000000
               8 H     15.360000000000   19.160000000000   24.150000000000
               9 H     17.720000000000   19.350000000000   25.770000000000
              10 H     16.150000000000   19.980000000000   26.300000000000
              11 H     18.480000000000   21.420000000000   25.530000000000
              12 H     17.020000000000   22.020000000000   26.400000000000
              13 H     17.700000000000   22.730000000000   23.640000000000
              14 H     16.050000000000   22.810000000000   24.440000000000
              15 C     24.960000000000   17.430000000000   18.860000000000
              16 C     23.950000000000   18.550000000000   18.480000000000
              17 C     22.520000000000   17.900000000000   18.440000000000
              18 C     22.640000000000   16.480000000000   18.950000000000
              19 C     24.090000000000   16.160000000000   19.310000000000
              20 H     25.610000000000   17.750000000000   19.700000000000
              21 H     25.590000000000   17.210000000000   18.010000000000
              22 H     24.200000000000   18.990000000000   17.550000000000
              23 H     24.180000000000   19.310000000000   19.170000000000
              24 H     22.070000000000   17.960000000000   17.440000000000
              25 H     21.870000000000   18.450000000000   19.140000000000
              26 H     22.240000000000   15.730000000000   18.220000000000
              27 H     22.070000000000   16.480000000000   19.910000000000
              28 H     24.330000000000   15.300000000000   18.700000000000
              29 H     24.280000000000   15.810000000000   20.310000000000
              30 C     21.340000000000   22.160000000000   20.270000000000
              31 C     19.860000000000   22.100000000000   20.530000000000
              32 C     19.700000000000   21.950000000000   22.070000000000
              33 C     21.130000000000   21.920000000000   22.640000000000
              34 C     22.070000000000   21.760000000000   21.530000000000
              35 H     21.580000000000   23.140000000000   19.900000000000
              36 H     21.520000000000   21.520000000000   19.400000000000
              37 H     19.390000000000   21.330000000000   19.920000000000
              38 H     19.380000000000   23.050000000000   20.230000000000
              39 H     19.070000000000   21.070000000000   22.250000000000
              40 H     19.310000000000   22.820000000000   22.570000000000
              41 H     21.120000000000   21.100000000000   23.320000000000
              42 H     21.280000000000   22.750000000000   23.210000000000
              43 H     22.600000000000   20.770000000000   21.330000000000
              44 H     22.840000000000   22.500000000000   21.760000000000
              45 C     22.220000000000   18.500000000000   24.420000000000
              46 C     22.420000000000   18.120000000000   23.000000000000
              47 C     21.070000000000   17.770000000000   22.460000000000
              48 C     20.010000000000   18.420000000000   23.330000000000
              49 C     20.680000000000   18.450000000000   24.700000000000
              50 H     22.590000000000   19.520000000000   24.640000000000
              51 H     22.720000000000   17.730000000000   24.960000000000
              52 H     23.270000000000   17.380000000000   23.030000000000
              53 H     22.790000000000   19.040000000000   22.500000000000
              54 H     21.000000000000   16.680000000000   22.410000000000
              55 H     20.960000000000   18.200000000000   21.430000000000
              56 H     19.170000000000   17.820000000000   23.350000000000
              57 H     19.800000000000   19.430000000000   23.010000000000
              58 H     20.330000000000   17.540000000000   25.250000000000
              59 H     20.340000000000   19.270000000000   25.320000000000
              60 C     16.670000000000   15.640000000000   23.540000000000
              61 C     16.000000000000   14.300000000000   23.240000000000
              62 C     16.080000000000   13.490000000000   24.550000000000
              63 C     16.780000000000   14.380000000000   25.600000000000
              64 C     16.900000000000   15.800000000000   25.040000000000
              65 H     16.070000000000   16.540000000000   23.200000000000
              66 H     17.600000000000   15.670000000000   22.950000000000
              67 H     16.660000000000   13.800000000000   22.440000000000
              68 H     15.030000000000   14.340000000000   22.790000000000
              69 H     16.600000000000   12.520000000000   24.470000000000
              70 H     15.120000000000   13.200000000000   24.830000000000
              71 H     17.840000000000   13.950000000000   25.730000000000
              72 H     16.300000000000   14.380000000000   26.580000000000
              73 H     17.870000000000   16.310000000000   25.260000000000
              74 H     16.080000000000   16.320000000000   25.520000000000
              75 C     25.940000000000   18.420000000000   24.440000000000
              76 C     27.430000000000   17.880000000000   24.560000000000
              77 C     27.700000000000   17.440000000000   25.930000000000
              78 C     26.600000000000   18.050000000000   26.810000000000
              79 C     25.430000000000   18.310000000000   25.890000000000
              80 H     25.230000000000   17.960000000000   23.770000000000
              81 H     25.950000000000   19.410000000000   24.140000000000
              82 H     28.070000000000   18.750000000000   24.370000000000
              83 H     27.590000000000   17.130000000000   23.780000000000
              84 H     28.680000000000   17.810000000000   26.120000000000
              85 H     27.790000000000   16.370000000000   25.980000000000
              86 H     26.980000000000   18.960000000000   27.250000000000
              87 H     26.350000000000   17.370000000000   27.680000000000
              88 H     25.010000000000   19.290000000000   26.240000000000
              89 H     24.640000000000   17.550000000000   26.040000000000
