-------------------------------------------------------------
----------------------- !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:    -1171.1749379568
# -----------------------------------------------------------
$ 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     6.1190     6.0000    -0.1190     3.9231     3.9231     0.0000
  1   0     6.1905     6.0000    -0.1905     3.9080     3.9080    -0.0000
  2   0     6.1525     6.0000    -0.1525     3.9021     3.9021    -0.0000
  3   0     6.0727     6.0000    -0.0727     3.8959     3.8959    -0.0000
  4   0     6.1513     6.0000    -0.1513     3.9003     3.9003     0.0000
  5   0     0.9128     1.0000     0.0872     0.9771     0.9771     0.0000
  6   0     0.9450     1.0000     0.0550     0.9920     0.9920     0.0000
  7   0     0.9028     1.0000     0.0972     0.9731     0.9731    -0.0000
  8   0     0.9256     1.0000     0.0744     0.9774     0.9774    -0.0000
  9   0     0.9101     1.0000     0.0899     0.9979     0.9979    -0.0000
 10   0     0.9527     1.0000     0.0473     0.9860     0.9860    -0.0000
 11   0     0.9489     1.0000     0.0511     0.9904     0.9904    -0.0000
 12   0     0.9718     1.0000     0.0282     1.0165     1.0165    -0.0000
 13   0     0.9301     1.0000     0.0699     0.9830     0.9830    -0.0000
 14   0     0.9252     1.0000     0.0748     0.9720     0.9720    -0.0000
 15   0     6.0956     6.0000    -0.0956     3.8884     3.8884     0.0000
 16   0     6.1840     6.0000    -0.1840     3.8833     3.8833     0.0000
 17   0     6.1564     6.0000    -0.1564     3.8965     3.8965     0.0000
 18   0     6.1393     6.0000    -0.1393     3.8896     3.8896    -0.0000
 19   0     6.2045     6.0000    -0.2045     3.9293     3.9293    -0.0000
 20   0     0.9134     1.0000     0.0866     0.9781     0.9781     0.0000
 21   0     0.9392     1.0000     0.0608     0.9920     0.9920     0.0000
 22   0     0.9216     1.0000     0.0784     0.9837     0.9837     0.0000
 23   0     0.9189     1.0000     0.0811     0.9736     0.9736     0.0000
 24   0     0.9250     1.0000     0.0750     0.9792     0.9792     0.0000
 25   0     0.9480     1.0000     0.0520     0.9870     0.9870     0.0000
 26   0     0.9242     1.0000     0.0758     0.9760     0.9760     0.0000
 27   0     0.9102     1.0000     0.0898     0.9705     0.9705    -0.0000
 28   0     0.9118     1.0000     0.0882     0.9683     0.9683     0.0000
 29   0     0.9139     1.0000     0.0861     0.9797     0.9797    -0.0000
 30   0     6.2017     6.0000    -0.2017     3.8787     3.8787    -0.0000
 31   0     6.1103     6.0000    -0.1103     3.8670     3.8670    -0.0000
 32   0     6.1893     6.0000    -0.1893     3.9092     3.9092    -0.0000
 33   0     6.1813     6.0000    -0.1813     3.9123     3.9123     0.0000
 34   0     6.1569     6.0000    -0.1569     3.9110     3.9110    -0.0000
 35   0     0.9152     1.0000     0.0848     0.9806     0.9806    -0.0000
 36   0     0.9123     1.0000     0.0877     0.9715     0.9715    -0.0000
 37   0     0.9372     1.0000     0.0628     0.9892     0.9892    -0.0000
 38   0     0.9049     1.0000     0.0951     0.9745     0.9745    -0.0000
 39   0     0.9060     1.0000     0.0940     0.9716     0.9716    -0.0000
 40   0     0.9263     1.0000     0.0737     0.9712     0.9712    -0.0000
 41   0     0.9166     1.0000     0.0834     0.9740     0.9740     0.0000
 42   0     0.9123     1.0000     0.0877     0.9738     0.9738     0.0000
 43   0     0.9200     1.0000     0.0800     0.9739     0.9739     0.0000
 44   0     0.9085     1.0000     0.0915     0.9746     0.9746     0.0000
 45   0     6.1965     6.0000    -0.1965     3.8884     3.8884    -0.0000
 46   0     6.1713     6.0000    -0.1713     3.8685     3.8685    -0.0000
 47   0     6.1876     6.0000    -0.1876     3.8991     3.8991    -0.0000
 48   0     6.1766     6.0000    -0.1766     3.8895     3.8895     0.0000
 49   0     6.1335     6.0000    -0.1335     3.8389     3.8389     0.0000
 50   0     0.9124     1.0000     0.0876     0.9758     0.9758     0.0000
 51   0     0.9008     1.0000     0.0992     0.9701     0.9701    -0.0000
 52   0     0.9241     1.0000     0.0759     0.9801     0.9801     0.0000
 53   0     0.8973     1.0000     0.1027     0.9689     0.9689    -0.0000
 54   0     0.9038     1.0000     0.0962     0.9753     0.9753     0.0000
 55   0     0.9092     1.0000     0.0908     0.9755     0.9755    -0.0000
 56   0     0.9139     1.0000     0.0861     0.9753     0.9753     0.0000
 57   0     0.9139     1.0000     0.0861     0.9721     0.9721     0.0000
 58   0     0.9423     1.0000     0.0577     0.9802     0.9802     0.0000
 59   0     0.9103     1.0000     0.0897     0.9709     0.9709     0.0000
 60   0     6.1419     6.0000    -0.1419     3.8761     3.8761     0.0000
 61   0     6.1623     6.0000    -0.1623     3.8911     3.8911    -0.0000
 62   0     6.1376     6.0000    -0.1376     3.9006     3.9006    -0.0000
 63   0     6.1482     6.0000    -0.1482     3.9080     3.9080     0.0000
 64   0     6.1751     6.0000    -0.1751     3.9226     3.9226    -0.0000
 65   0     0.9099     1.0000     0.0901     0.9707     0.9707    -0.0000
 66   0     0.9302     1.0000     0.0698     0.9681     0.9681    -0.0000
 67   0     0.9228     1.0000     0.0772     0.9809     0.9809    -0.0000
 68   0     0.9227     1.0000     0.0773     0.9715     0.9715    -0.0000
 69   0     0.9551     1.0000     0.0449     0.9840     0.9840    -0.0000
 70   0     0.9110     1.0000     0.0890     0.9757     0.9757    -0.0000
 71   0     0.9246     1.0000     0.0754     0.9770     0.9770     0.0000
 72   0     0.9152     1.0000     0.0848     0.9769     0.9769     0.0000
 73   0     0.9169     1.0000     0.0831     0.9756     0.9756    -0.0000
 74   0     0.9167     1.0000     0.0833     0.9790     0.9790    -0.0000
 75   0     6.1373     6.0000    -0.1373     3.8758     3.8758    -0.0000
 76   0     6.1599     6.0000    -0.1599     3.8861     3.8861    -0.0000
 77   0     6.1420     6.0000    -0.1420     3.9024     3.9024     0.0000
 78   0     6.1977     6.0000    -0.1977     3.9005     3.9005    -0.0000
 79   0     6.1505     6.0000    -0.1505     3.9030     3.9030    -0.0000
 80   0     0.9047     1.0000     0.0953     0.9726     0.9726     0.0000
 81   0     0.9402     1.0000     0.0598     0.9883     0.9883    -0.0000
 82   0     0.9489     1.0000     0.0511     0.9821     0.9821    -0.0000
 83   0     0.9274     1.0000     0.0726     0.9807     0.9807    -0.0000
 84   0     0.9121     1.0000     0.0879     0.9773     0.9773     0.0000
 85   0     0.9077     1.0000     0.0923     0.9758     0.9758     0.0000
 86   0     0.9261     1.0000     0.0739     0.9711     0.9711    -0.0000
 87   0     0.9094     1.0000     0.0906     0.9758     0.9758     0.0000
 88   0     0.9162     1.0000     0.0838     0.9724     0.9724    -0.0000
 89   0     0.9200     1.0000     0.0800     0.9781     0.9781    -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                0.982973
                0             6               4            6                0.970516
                0             6               5            1                0.988937
                0             6               6            1                1.010501
                1             6               2            6                0.963953
                1             6               7            1                0.987959
                1             6               8            1                0.994352
                2             6               3            6                0.960326
                2             6               9            1                1.003816
                2             6              10            1                0.988769
                3             6               4            6                0.953563
                3             6              11            1                0.997316
                3             6              12            1                1.018191
                4             6              13            1                0.993050
                4             6              14            1                0.999871
               15             6              16            6                0.949005
               15             6              19            6                0.981783
               15             6              20            1                0.990314
               15             6              21            1                1.005348
               16             6              17            6                0.967488
               16             6              22            1                0.992516
               16             6              23            1                0.993744
               17             6              18            6                0.965105
               17             6              24            1                0.998554
               17             6              25            1                0.991112
               18             6              19            6                0.981211
               18             6              26            1                0.993006
               18             6              27            1                0.993079
               19             6              28            1                0.988747
               19             6              29            1                0.994300
               30             6              31            6                0.955777
               30             6              34            6                0.966642
               30             6              35            1                0.994541
               30             6              36            1                0.989713
               31             6              32            6                0.974008
               31             6              37            1                0.990591
               31             6              38            1                0.982203
               32             6              33            6                0.976644
               32             6              39            1                0.986391
               32             6              40            1                0.997995
               33             6              34            6                0.986019
               33             6              41            1                0.992047
               33             6              42            1                0.989177
               34             6              43            1                0.996208
               34             6              44            1                0.988806
               45             6              46            6                0.965860
               45             6              49            6                0.954375
               45             6              50            1                0.985857
               45             6              51            1                0.991527
               46             6              47            6                0.969266
               46             6              52            1                0.998722
               46             6              53            1                0.978126
               47             6              48            6                0.977328
               47             6              54            1                0.991739
               47             6              55            1                0.985332
               48             6              49            6                0.950940
               48             6              56            1                0.989940
               48             6              57            1                0.989688
               49             6              58            1                1.000580
               49             6              59            1                0.991013
               60             6              61            6                0.955419
               60             6              64            6                0.971639
               60             6              65            1                0.993246
               60             6              66            1                0.998178
               61             6              62            6                0.970108
               61             6              67            1                0.994198
               61             6              68            1                0.987608
               62             6              63            6                0.971833
               62             6              69            1                1.000150
               62             6              70            1                0.983354
               63             6              64            6                0.986500
               63             6              71            1                0.991155
               63             6              72            1                0.988978
               64             6              73            1                0.992541
               64             6              74            1                0.990185
               75             6              76            6                0.959227
               75             6              79            6                0.974352
               75             6              80            1                0.977816
               75             6              81            1                1.000173
               76             6              77            6                0.965130
               76             6              82            1                1.004597
               76             6              83            1                0.990902
               77             6              78            6                0.977497
               77             6              84            1                0.990568
               77             6              85            1                0.987293
               78             6              79            6                0.962929
               78             6              86            1                0.998707
               78             6              87            1                0.994265
               79             6              88            1                0.997500
               79             6              89            1                0.995587
# -----------------------------------------------------------
$ 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     6.1269     6.0000    -0.1269     4.0276     3.7144     0.3132
  1   0     6.1980     6.0000    -0.1980     4.0185     3.6962     0.3223
  2   0     6.1600     6.0000    -0.1600     4.0116     3.6869     0.3247
  3   0     6.0830     6.0000    -0.0830     4.0058     3.6833     0.3225
  4   0     6.1595     6.0000    -0.1595     4.0076     3.6946     0.3130
  5   0     0.9086     1.0000     0.0914     0.9861     0.9364     0.0497
  6   0     0.9416     1.0000     0.0584     1.0031     0.9515     0.0516
  7   0     0.8986     1.0000     0.1014     0.9818     0.9339     0.0479
  8   0     0.9217     1.0000     0.0783     0.9873     0.9347     0.0526
  9   0     0.9060     1.0000     0.0940     1.0066     0.9604     0.0462
 10   0     0.9489     1.0000     0.0511     0.9975     0.9408     0.0567
 11   0     0.9442     1.0000     0.0558     0.9999     0.9470     0.0529
 12   0     0.9674     1.0000     0.0326     1.0274     0.9730     0.0544
 13   0     0.9255     1.0000     0.0745     0.9924     0.9413     0.0511
 14   0     0.9209     1.0000     0.0791     0.9815     0.9314     0.0501
 15   0     6.1037     6.0000    -0.1037     3.9935     3.6763     0.3172
 16   0     6.1918     6.0000    -0.1918     3.9962     3.6723     0.3239
 17   0     6.1649     6.0000    -0.1649     4.0074     3.6880     0.3194
 18   0     6.1476     6.0000    -0.1476     3.9974     3.6828     0.3146
 19   0     6.2121     6.0000    -0.2121     4.0382     3.7165     0.3217
 20   0     0.9093     1.0000     0.0907     0.9871     0.9387     0.0484
 21   0     0.9357     1.0000     0.0643     1.0026     0.9488     0.0538
 22   0     0.9176     1.0000     0.0824     0.9932     0.9393     0.0539
 23   0     0.9146     1.0000     0.0854     0.9828     0.9295     0.0533
 24   0     0.9208     1.0000     0.0792     0.9884     0.9356     0.0528
 25   0     0.9434     1.0000     0.0566     0.9972     0.9446     0.0526
 26   0     0.9202     1.0000     0.0798     0.9855     0.9318     0.0537
 27   0     0.9063     1.0000     0.0937     0.9798     0.9297     0.0501
 28   0     0.9080     1.0000     0.0920     0.9776     0.9218     0.0558
 29   0     0.9099     1.0000     0.0901     0.9886     0.9391     0.0495
 30   0     6.2099     6.0000    -0.2099     3.9930     3.6652     0.3278
 31   0     6.1176     6.0000    -0.1176     3.9740     3.6598     0.3142
 32   0     6.1983     6.0000    -0.1983     4.0227     3.6953     0.3274
 33   0     6.1885     6.0000    -0.1885     4.0204     3.6978     0.3226
 34   0     6.1651     6.0000    -0.1651     4.0193     3.6999     0.3194
 35   0     0.9114     1.0000     0.0886     0.9901     0.9391     0.0510
 36   0     0.9083     1.0000     0.0917     0.9807     0.9245     0.0562
 37   0     0.9328     1.0000     0.0672     0.9990     0.9480     0.0510
 38   0     0.9009     1.0000     0.0991     0.9836     0.9341     0.0495
 39   0     0.9019     1.0000     0.0981     0.9805     0.9280     0.0525
 40   0     0.9224     1.0000     0.0776     0.9811     0.9274     0.0537
 41   0     0.9128     1.0000     0.0872     0.9835     0.9295     0.0540
 42   0     0.9085     1.0000     0.0915     0.9830     0.9286     0.0544
 43   0     0.9162     1.0000     0.0838     0.9833     0.9293     0.0540
 44   0     0.9047     1.0000     0.0953     0.9836     0.9323     0.0513
 45   0     6.2054     6.0000    -0.2054     4.0040     3.6712     0.3328
 46   0     6.1787     6.0000    -0.1787     3.9805     3.6485     0.3320
 47   0     6.1956     6.0000    -0.1956     4.0135     3.6759     0.3376
 48   0     6.1842     6.0000    -0.1842     4.0005     3.6761     0.3244
 49   0     6.1407     6.0000    -0.1407     3.9474     3.6285     0.3189
 50   0     0.9084     1.0000     0.0916     0.9851     0.9320     0.0531
 51   0     0.8967     1.0000     0.1033     0.9786     0.9278     0.0508
 52   0     0.9202     1.0000     0.0798     0.9898     0.9394     0.0504
 53   0     0.8936     1.0000     0.1064     0.9778     0.9253     0.0525
 54   0     0.9001     1.0000     0.0999     0.9845     0.9348     0.0497
 55   0     0.9054     1.0000     0.0946     0.9848     0.9296     0.0552
 56   0     0.9101     1.0000     0.0899     0.9848     0.9330     0.0518
 57   0     0.9098     1.0000     0.0902     0.9815     0.9303     0.0512
 58   0     0.9388     1.0000     0.0612     0.9913     0.9355     0.0558
 59   0     0.9060     1.0000     0.0940     0.9798     0.9298     0.0500
 60   0     6.1506     6.0000    -0.1506     3.9860     3.6706     0.3154
 61   0     6.1710     6.0000    -0.1710     4.0026     3.6768     0.3258
 62   0     6.1449     6.0000    -0.1449     4.0060     3.6885     0.3175
 63   0     6.1558     6.0000    -0.1558     4.0139     3.6966     0.3173
 64   0     6.1825     6.0000    -0.1825     4.0292     3.7146     0.3146
 65   0     0.9055     1.0000     0.0945     0.9794     0.9323     0.0471
 66   0     0.9264     1.0000     0.0736     0.9785     0.9271     0.0514
 67   0     0.9185     1.0000     0.0815     0.9901     0.9368     0.0533
 68   0     0.9184     1.0000     0.0816     0.9810     0.9246     0.0564
 69   0     0.9515     1.0000     0.0485     0.9956     0.9391     0.0565
 70   0     0.9068     1.0000     0.0932     0.9847     0.9331     0.0516
 71   0     0.9206     1.0000     0.0794     0.9865     0.9330     0.0535
 72   0     0.9114     1.0000     0.0886     0.9863     0.9361     0.0502
 73   0     0.9130     1.0000     0.0870     0.9847     0.9357     0.0490
 74   0     0.9129     1.0000     0.0871     0.9884     0.9372     0.0512
 75   0     6.1446     6.0000    -0.1446     3.9833     3.6602     0.3231
 76   0     6.1672     6.0000    -0.1672     3.9958     3.6677     0.3281
 77   0     6.1502     6.0000    -0.1502     4.0112     3.6889     0.3223
 78   0     6.2050     6.0000    -0.2050     4.0109     3.6908     0.3201
 79   0     6.1583     6.0000    -0.1583     4.0095     3.6954     0.3141
 80   0     0.9010     1.0000     0.0990     0.9818     0.9294     0.0524
 81   0     0.9362     1.0000     0.0638     0.9983     0.9438     0.0545
 82   0     0.9457     1.0000     0.0543     0.9939     0.9382     0.0557
 83   0     0.9233     1.0000     0.0767     0.9906     0.9364     0.0542
 84   0     0.9082     1.0000     0.0918     0.9862     0.9348     0.0514
 85   0     0.9039     1.0000     0.0961     0.9850     0.9345     0.0505
 86   0     0.9224     1.0000     0.0776     0.9811     0.9255     0.0556
 87   0     0.9056     1.0000     0.0944     0.9849     0.9348     0.0501
 88   0     0.9124     1.0000     0.0876     0.9816     0.9307     0.0509
 89   0     0.9163     1.0000     0.0837     0.9877     0.9372     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                0.919160
                0             6               4            6                0.907368
                0             6               5            1                0.949503
                0             6               6            1                0.971061
                1             6               2            6                0.898765
                1             6               7            1                0.949881
                1             6               8            1                0.952770
                2             6               3            6                0.895078
                2             6               9            1                0.967116
                2             6              10            1                0.944638
                3             6               4            6                0.894945
                3             6              11            1                0.954735
                3             6              12            1                0.975406
                4             6              13            1                0.952789
                4             6              14            1                0.959967
               15             6              16            6                0.885958
               15             6              19            6                0.916304
               15             6              20            1                0.952217
               15             6              21            1                0.963157
               16             6              17            6                0.909113
               16             6              22            1                0.949646
               16             6              23            1                0.950529
               17             6              18            6                0.902863
               17             6              24            1                0.955803
               17             6              25            1                0.949822
               18             6              19            6                0.921846
               18             6              26            1                0.950084
               18             6              27            1                0.953480
               19             6              28            1                0.943617
               19             6              29            1                0.955155
               30             6              31            6                0.894018
               30             6              34            6                0.903938
               30             6              35            1                0.954321
               30             6              36            1                0.944155
               31             6              32            6                0.911695
               31             6              37            1                0.950395
               31             6              38            1                0.943137
               32             6              33            6                0.912985
               32             6              39            1                0.944352
               32             6              40            1                0.955428
               33             6              34            6                0.925419
               33             6              41            1                0.948944
               33             6              42            1                0.945437
               34             6              43            1                0.952810
               34             6              44            1                0.948025
               45             6              46            6                0.899525
               45             6              49            6                0.891141
               45             6              50            1                0.943446
               45             6              51            1                0.950331
               46             6              47            6                0.900185
               46             6              52            1                0.959119
               46             6              53            1                0.936223
               47             6              48            6                0.910597
               47             6              54            1                0.952484
               47             6              55            1                0.940969
               48             6              49            6                0.889883
               48             6              56            1                0.948957
               48             6              57            1                0.949021
               49             6              58            1                0.956740
               49             6              59            1                0.951258
               60             6              61            6                0.893440
               60             6              64            6                0.908903
               60             6              65            1                0.956041
               60             6              66            1                0.957736
               61             6              62            6                0.910343
               61             6              67            1                0.951278
               61             6              68            1                0.942033
               62             6              63            6                0.908572
               62             6              69            1                0.956014
               62             6              70            1                0.942396
               63             6              64            6                0.923720
               63             6              71            1                0.948350
               63             6              72            1                0.949720
               64             6              73            1                0.953858
               64             6              74            1                0.949844
               75             6              76            6                0.896112
               75             6              79            6                0.910225
               75             6              80            1                0.936176
               75             6              81            1                0.956702
               76             6              77            6                0.899170
               76             6              82            1                0.961337
               76             6              83            1                0.947752
               77             6              78            6                0.915049
               77             6              84            1                0.949359
               77             6              85            1                0.947292
               78             6              79            6                0.902903
               78             6              86            1                0.954179
               78             6              87            1                0.954647
               79             6              88            1                0.956827
               79             6              89            1                0.956022
# -----------------------------------------------------------
$ 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     6.1824     6.0000    -0.1824     3.9920     3.6826     0.3094
  1   0     6.2390     6.0000    -0.2390     3.9929     3.6751     0.3178
  2   0     6.2151     6.0000    -0.2151     3.9842     3.6638     0.3204
  3   0     6.1576     6.0000    -0.1576     3.9795     3.6610     0.3185
  4   0     6.2085     6.0000    -0.2085     3.9640     3.6553     0.3087
  5   0     0.8854     1.0000     0.1146     0.9791     0.9304     0.0487
  6   0     0.9114     1.0000     0.0886     1.0011     0.9509     0.0502
  7   0     0.8752     1.0000     0.1248     0.9779     0.9312     0.0467
  8   0     0.8945     1.0000     0.1055     0.9797     0.9283     0.0514
  9   0     0.8775     1.0000     0.1225     1.0013     0.9564     0.0449
 10   0     0.9257     1.0000     0.0743     1.0003     0.9451     0.0552
 11   0     0.9186     1.0000     0.0814     1.0058     0.9543     0.0515
 12   0     0.9343     1.0000     0.0657     1.0199     0.9671     0.0528
 13   0     0.8949     1.0000     0.1051     0.9855     0.9357     0.0498
 14   0     0.8959     1.0000     0.1041     0.9760     0.9271     0.0489
 15   0     6.1696     6.0000    -0.1696     3.9746     3.6609     0.3137
 16   0     6.2433     6.0000    -0.2433     3.9762     3.6570     0.3192
 17   0     6.2231     6.0000    -0.2231     3.9878     3.6729     0.3149
 18   0     6.1984     6.0000    -0.1984     3.9754     3.6650     0.3104
 19   0     6.2529     6.0000    -0.2529     4.0138     3.6966     0.3172
 20   0     0.8865     1.0000     0.1135     0.9820     0.9347     0.0473
 21   0     0.9043     1.0000     0.0957     0.9974     0.9450     0.0524
 22   0     0.8872     1.0000     0.1128     0.9840     0.9316     0.0524
 23   0     0.8892     1.0000     0.1108     0.9772     0.9251     0.0521
 24   0     0.8910     1.0000     0.1090     0.9810     0.9295     0.0515
 25   0     0.9152     1.0000     0.0848     0.9914     0.9403     0.0511
 26   0     0.8931     1.0000     0.1069     0.9762     0.9236     0.0526
 27   0     0.8826     1.0000     0.1174     0.9739     0.9249     0.0490
 28   0     0.8849     1.0000     0.1151     0.9715     0.9167     0.0548
 29   0     0.8855     1.0000     0.1145     0.9805     0.9321     0.0484
 30   0     6.2542     6.0000    -0.2542     3.9817     3.6587     0.3230
 31   0     6.1823     6.0000    -0.1823     3.9693     3.6592     0.3101
 32   0     6.2432     6.0000    -0.2432     4.0073     3.6845     0.3228
 33   0     6.2287     6.0000    -0.2287     4.0018     3.6837     0.3181
 34   0     6.2134     6.0000    -0.2134     4.0077     3.6927     0.3150
 35   0     0.8861     1.0000     0.1139     0.9832     0.9334     0.0498
 36   0     0.8858     1.0000     0.1142     0.9738     0.9187     0.0551
 37   0     0.9036     1.0000     0.0964     0.9885     0.9388     0.0497
 38   0     0.8745     1.0000     0.1255     0.9768     0.9285     0.0483
 39   0     0.8805     1.0000     0.1195     0.9726     0.9211     0.0515
 40   0     0.8976     1.0000     0.1024     0.9764     0.9238     0.0526
 41   0     0.8902     1.0000     0.1098     0.9752     0.9222     0.0530
 42   0     0.8854     1.0000     0.1146     0.9756     0.9222     0.0534
 43   0     0.8920     1.0000     0.1080     0.9743     0.9213     0.0530
 44   0     0.8817     1.0000     0.1183     0.9762     0.9260     0.0502
 45   0     6.2500     6.0000    -0.2500     3.9810     3.6525     0.3285
 46   0     6.2290     6.0000    -0.2290     3.9699     3.6420     0.3279
 47   0     6.2389     6.0000    -0.2389     3.9928     3.6595     0.3333
 48   0     6.2279     6.0000    -0.2279     3.9809     3.6610     0.3199
 49   0     6.1955     6.0000    -0.1955     3.9312     3.6165     0.3147
 50   0     0.8870     1.0000     0.1130     0.9778     0.9257     0.0521
 51   0     0.8723     1.0000     0.1277     0.9729     0.9233     0.0496
 52   0     0.8927     1.0000     0.1073     0.9816     0.9324     0.0492
 53   0     0.8750     1.0000     0.1250     0.9722     0.9206     0.0516
 54   0     0.8790     1.0000     0.1210     0.9810     0.9323     0.0487
 55   0     0.8832     1.0000     0.1168     0.9763     0.9221     0.0542
 56   0     0.8859     1.0000     0.1141     0.9807     0.9301     0.0506
 57   0     0.8876     1.0000     0.1124     0.9733     0.9230     0.0503
 58   0     0.9054     1.0000     0.0946     0.9833     0.9290     0.0543
 59   0     0.8829     1.0000     0.1171     0.9730     0.9241     0.0489
 60   0     6.2111     6.0000    -0.2111     3.9650     3.6533     0.3117
 61   0     6.2207     6.0000    -0.2207     3.9789     3.6581     0.3208
 62   0     6.1971     6.0000    -0.1971     3.9850     3.6719     0.3131
 63   0     6.2002     6.0000    -0.2002     3.9919     3.6788     0.3131
 64   0     6.2288     6.0000    -0.2288     4.0012     3.6905     0.3107
 65   0     0.8832     1.0000     0.1168     0.9740     0.9280     0.0460
 66   0     0.8968     1.0000     0.1032     0.9734     0.9234     0.0500
 67   0     0.8861     1.0000     0.1139     0.9831     0.9312     0.0519
 68   0     0.8967     1.0000     0.1033     0.9744     0.9190     0.0554
 69   0     0.9234     1.0000     0.0766     0.9957     0.9407     0.0550
 70   0     0.8837     1.0000     0.1163     0.9771     0.9266     0.0505
 71   0     0.8956     1.0000     0.1044     0.9799     0.9275     0.0524
 72   0     0.8891     1.0000     0.1109     0.9794     0.9302     0.0492
 73   0     0.8869     1.0000     0.1131     0.9785     0.9306     0.0479
 74   0     0.8877     1.0000     0.1123     0.9796     0.9295     0.0501
 75   0     6.1937     6.0000    -0.1937     3.9649     3.6461     0.3188
 76   0     6.2240     6.0000    -0.2240     3.9808     3.6572     0.3236
 77   0     6.2009     6.0000    -0.2009     3.9921     3.6736     0.3185
 78   0     6.2526     6.0000    -0.2526     3.9920     3.6762     0.3158
 79   0     6.2134     6.0000    -0.2134     3.9853     3.6750     0.3103
 80   0     0.8801     1.0000     0.1199     0.9780     0.9266     0.0514
 81   0     0.9079     1.0000     0.0921     0.9912     0.9379     0.0533
 82   0     0.9120     1.0000     0.0880     0.9893     0.9352     0.0541
 83   0     0.8964     1.0000     0.1036     0.9828     0.9299     0.0529
 84   0     0.8841     1.0000     0.1159     0.9784     0.9280     0.0504
 85   0     0.8825     1.0000     0.1175     0.9783     0.9287     0.0496
 86   0     0.8948     1.0000     0.1052     0.9719     0.9174     0.0545
 87   0     0.8796     1.0000     0.1204     0.9755     0.9265     0.0490
 88   0     0.8869     1.0000     0.1131     0.9746     0.9248     0.0498
 89   0     0.8900     1.0000     0.1100     0.9788     0.9294     0.0494
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.923557
                0             6               4            6                0.905750
                0             6               5            1                0.934618
                0             6               6            1                0.960036
                1             6               2            6                0.903076
                1             6               7            1                0.939865
                1             6               8            1                0.938620
                2             6               3            6                0.897450
                2             6               9            1                0.956071
                2             6              10            1                0.929028
                3             6               4            6                0.899267
                3             6              11            1                0.940303
                3             6              12            1                0.958960
                4             6              13            1                0.940968
                4             6              14            1                0.945023
               15             6              16            6                0.894738
               15             6              19            6                0.919164
               15             6              20            1                0.941092
               15             6              21            1                0.947572
               16             6              17            6                0.916987
               16             6              22            1                0.935217
               16             6              23            1                0.936589
               17             6              18            6                0.907606
               17             6              24            1                0.941598
               17             6              25            1                0.935259
               18             6              19            6                0.932463
               18             6              26            1                0.932918
               18             6              27            1                0.941182
               19             6              28            1                0.926743
               19             6              29            1                0.943213
               30             6              31            6                0.906255
               30             6              34            6                0.914367
               30             6              35            1                0.941854
               30             6              36            1                0.928761
               31             6              32            6                0.921300
               31             6              37            1                0.937905
               31             6              38            1                0.931802
               32             6              33            6                0.921907
               32             6              39            1                0.928127
               32             6              40            1                0.942047
               33             6              34            6                0.938165
               33             6              41            1                0.932292
               33             6              42            1                0.930761
               34             6              43            1                0.935531
               34             6              44            1                0.934588
               45             6              46            6                0.904715
               45             6              49            6                0.898187
               45             6              50            1                0.930111
               45             6              51            1                0.939635
               46             6              47            6                0.906663
               46             6              52            1                0.950145
               46             6              53            1                0.924012
               47             6              48            6                0.913892
               47             6              54            1                0.942794
               47             6              55            1                0.926601
               48             6              49            6                0.897647
               48             6              56            1                0.938521
               48             6              57            1                0.936851
               49             6              58            1                0.944730
               49             6              59            1                0.939436
               60             6              61            6                0.899301
               60             6              64            6                0.909891
               60             6              65            1                0.944545
               60             6              66            1                0.944527
               61             6              62            6                0.917718
               61             6              67            1                0.939188
               61             6              68            1                0.923375
               62             6              63            6                0.917422
               62             6              69            1                0.942748
               62             6              70            1                0.927148
               63             6              64            6                0.928927
               63             6              71            1                0.935359
               63             6              72            1                0.937714
               64             6              73            1                0.944271
               64             6              74            1                0.936094
               75             6              76            6                0.905035
               75             6              79            6                0.914378
               75             6              80            1                0.925379
               75             6              81            1                0.946012
               76             6              77            6                0.903206
               76             6              82            1                0.951351
               76             6              83            1                0.931827
               77             6              78            6                0.922648
               77             6              84            1                0.936814
               77             6              85            1                0.935547
               78             6              79            6                0.911849
               78             6              86            1                0.939071
               78             6              87            1                0.941296
               79             6              88            1                0.944944
               79             6              89            1                0.941806
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1749379568
        Correlation Energy:       -5.0769485848
        Total MP2 Energy:      -1176.2518865416
# -----------------------------------------------------------
$ 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) :        0.2214532046
        Electronic Contribution:
                  0    
      0       0.551605
      1      -0.350236
      2      -0.209297
        Nuclear Contribution:
                  0    
      0      -0.626604
      1       0.313302
      2       0.184768
        Total Dipole moment:
                  0    
      0      -0.074999
      1      -0.036934
      2      -0.024529
# -----------------------------------------------------------
$ 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) :        0.2224662465
        Electronic Contribution:
                  0    
      0       0.550236
      1      -0.348235
      2      -0.209425
        Nuclear Contribution:
                  0    
      0      -0.626604
      1       0.313302
      2       0.184768
        Total Dipole moment:
                  0    
      0      -0.076368
      1      -0.034932
      2      -0.024657
# -----------------------------------------------------------
$ 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) :        0.2172776449
        Electronic Contribution:
                  0    
      0       0.545190
      1      -0.323891
      2      -0.208572
        Nuclear Contribution:
                  0    
      0      -0.626604
      1       0.313302
      2       0.184768
        Total Dipole moment:
                  0    
      0      -0.081415
      1      -0.010589
      2      -0.023804
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     17.530000000000   18.860000000000   17.540000000000
               1 C     18.800000000000   18.940000000000   16.660000000000
               2 C     18.590000000000   17.940000000000   15.480000000000
               3 C     17.130000000000   17.370000000000   15.690000000000
               4 C     16.520000000000   17.940000000000   16.870000000000
               5 H     17.090000000000   19.810000000000   17.780000000000
               6 H     17.720000000000   18.340000000000   18.400000000000
               7 H     19.660000000000   18.780000000000   17.220000000000
               8 H     18.840000000000   19.940000000000   16.240000000000
               9 H     19.280000000000   17.230000000000   15.560000000000
              10 H     18.790000000000   18.450000000000   14.510000000000
              11 H     17.020000000000   16.300000000000   15.790000000000
              12 H     16.510000000000   17.580000000000   14.830000000000
              13 H     16.160000000000   17.180000000000   17.550000000000
              14 H     15.750000000000   18.530000000000   16.470000000000
              15 C     16.810000000000   14.090000000000   17.850000000000
              16 C     17.870000000000   14.930000000000   18.590000000000
              17 C     17.260000000000   15.460000000000   19.810000000000
              18 C     15.860000000000   14.860000000000   19.940000000000
              19 C     15.480000000000   14.180000000000   18.680000000000
              20 H     17.140000000000   13.100000000000   17.780000000000
              21 H     16.700000000000   14.580000000000   16.890000000000
              22 H     18.350000000000   15.730000000000   17.990000000000
              23 H     18.690000000000   14.240000000000   18.870000000000
              24 H     17.160000000000   16.550000000000   19.790000000000
              25 H     17.750000000000   15.230000000000   20.740000000000
              26 H     15.120000000000   15.670000000000   20.100000000000
              27 H     15.770000000000   14.230000000000   20.800000000000
              28 H     14.710000000000   14.740000000000   18.010000000000
              29 H     15.090000000000   13.210000000000   18.850000000000
              30 C     22.060000000000   16.390000000000   15.630000000000
              31 C     22.510000000000   17.540000000000   16.530000000000
              32 C     23.970000000000   17.770000000000   16.180000000000
              33 C     24.490000000000   16.450000000000   15.550000000000
              34 C     23.300000000000   15.610000000000   15.170000000000
              35 H     21.610000000000   16.800000000000   14.760000000000
              36 H     21.350000000000   15.630000000000   16.170000000000
              37 H     22.490000000000   17.130000000000   17.520000000000
              38 H     22.030000000000   18.480000000000   16.430000000000
              39 H     24.560000000000   18.150000000000   17.050000000000
              40 H     24.070000000000   18.590000000000   15.450000000000
              41 H     25.110000000000   15.890000000000   16.300000000000
              42 H     25.190000000000   16.740000000000   14.700000000000
              43 H     23.260000000000   14.630000000000   15.720000000000
              44 H     23.300000000000   15.340000000000   14.110000000000
              45 C     19.690000000000   16.430000000000   22.370000000000
              46 C     20.160000000000   14.930000000000   22.630000000000
              47 C     20.880000000000   14.460000000000   21.250000000000
              48 C     21.230000000000   15.810000000000   20.420000000000
              49 C     20.410000000000   16.890000000000   21.060000000000
              50 H     20.050000000000   17.100000000000   23.190000000000
              51 H     18.600000000000   16.510000000000   22.310000000000
              52 H     19.280000000000   14.370000000000   22.700000000000
              53 H     20.780000000000   14.840000000000   23.570000000000
              54 H     20.190000000000   13.780000000000   20.850000000000
              55 H     21.830000000000   13.880000000000   21.540000000000
              56 H     21.000000000000   15.800000000000   19.360000000000
              57 H     22.270000000000   16.100000000000   20.550000000000
              58 H     19.710000000000   17.100000000000   20.250000000000
              59 H     20.970000000000   17.800000000000   21.160000000000
              60 C     15.390000000000   18.740000000000   12.830000000000
              61 C     16.470000000000   19.710000000000   13.260000000000
              62 C     17.560000000000   19.580000000000   12.260000000000
              63 C     17.170000000000   18.510000000000   11.220000000000
              64 C     15.870000000000   17.840000000000   11.670000000000
              65 H     14.500000000000   19.230000000000   12.670000000000
              66 H     15.150000000000   18.150000000000   13.650000000000
              67 H     16.830000000000   19.590000000000   14.300000000000
              68 H     15.900000000000   20.720000000000   13.210000000000
              69 H     18.460000000000   19.180000000000   12.740000000000
              70 H     17.830000000000   20.550000000000   11.820000000000
              71 H     17.960000000000   17.720000000000   11.220000000000
              72 H     17.010000000000   18.950000000000   10.260000000000
              73 H     16.060000000000   16.860000000000   11.990000000000
              74 H     15.090000000000   17.790000000000   10.910000000000
              75 C     21.610000000000   21.150000000000   14.260000000000
              76 C     21.730000000000   19.900000000000   13.390000000000
              77 C     21.940000000000   20.310000000000   11.860000000000
              78 C     21.760000000000   21.840000000000   11.880000000000
              79 C     21.600000000000   22.360000000000   13.290000000000
              80 H     22.430000000000   21.040000000000   15.000000000000
              81 H     20.570000000000   21.130000000000   14.640000000000
              82 H     20.810000000000   19.350000000000   13.510000000000
              83 H     22.540000000000   19.210000000000   13.720000000000
              84 H     21.160000000000   19.870000000000   11.230000000000
              85 H     22.920000000000   20.060000000000   11.460000000000
              86 H     20.840000000000   22.170000000000   11.330000000000
              87 H     22.450000000000   22.400000000000   11.300000000000
              88 H     20.680000000000   22.890000000000   13.490000000000
              89 H     22.380000000000   23.030000000000   13.560000000000
