-------------------------------------------------------------
----------------------- !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:    -1171.1888959903
# -----------------------------------------------------------
$ 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     6.1342     6.0000    -0.1342     3.9213     3.9213     0.0000
  1   0     6.1030     6.0000    -0.1030     3.8896     3.8896     0.0000
  2   0     6.2040     6.0000    -0.2040     3.8778     3.8778     0.0000
  3   0     6.1802     6.0000    -0.1802     3.8779     3.8779     0.0000
  4   0     6.1300     6.0000    -0.1300     3.8914     3.8914     0.0000
  5   0     0.9690     1.0000     0.0310     0.9800     0.9800     0.0000
  6   0     0.8952     1.0000     0.1048     0.9720     0.9720     0.0000
  7   0     0.8948     1.0000     0.1052     0.9733     0.9733     0.0000
  8   0     1.0165     1.0000    -0.0165     1.0224     1.0224     0.0000
  9   0     0.9072     1.0000     0.0928     0.9726     0.9726     0.0000
 10   0     0.9144     1.0000     0.0856     0.9567     0.9567    -0.0000
 11   0     0.9057     1.0000     0.0943     0.9695     0.9695     0.0000
 12   0     0.9266     1.0000     0.0734     0.9724     0.9724     0.0000
 13   0     0.9149     1.0000     0.0851     0.9732     0.9732     0.0000
 14   0     0.9063     1.0000     0.0937     0.9708     0.9708     0.0000
 15   0     6.2072     6.0000    -0.2072     3.8779     3.8779    -0.0000
 16   0     6.1421     6.0000    -0.1421     3.9206     3.9206    -0.0000
 17   0     6.2109     6.0000    -0.2109     3.9019     3.9019     0.0000
 18   0     6.0208     6.0000    -0.0208     3.8490     3.8490     0.0000
 19   0     6.1891     6.0000    -0.1891     3.9391     3.9391     0.0000
 20   0     0.9301     1.0000     0.0699     0.9726     0.9726    -0.0000
 21   0     0.9014     1.0000     0.0986     0.9688     0.9688     0.0000
 22   0     0.9134     1.0000     0.0866     0.9797     0.9797    -0.0000
 23   0     0.9071     1.0000     0.0929     0.9736     0.9736    -0.0000
 24   0     0.9054     1.0000     0.0946     0.9658     0.9658     0.0000
 25   0     0.9174     1.0000     0.0826     0.9698     0.9698     0.0000
 26   0     0.9133     1.0000     0.0867     0.9736     0.9736     0.0000
 27   0     0.9933     1.0000     0.0067     1.0024     1.0024     0.0000
 28   0     0.9135     1.0000     0.0865     0.9770     0.9770     0.0000
 29   0     0.9324     1.0000     0.0676     0.9773     0.9773     0.0000
 30   0     6.1186     6.0000    -0.1186     3.9000     3.9000    -0.0000
 31   0     6.1597     6.0000    -0.1597     3.9075     3.9075    -0.0000
 32   0     6.1593     6.0000    -0.1593     3.9070     3.9070    -0.0000
 33   0     6.1859     6.0000    -0.1859     3.8614     3.8614     0.0000
 34   0     6.1733     6.0000    -0.1733     3.8512     3.8512     0.0000
 35   0     0.9161     1.0000     0.0839     0.9740     0.9740    -0.0000
 36   0     0.9215     1.0000     0.0785     0.9805     0.9805    -0.0000
 37   0     0.9197     1.0000     0.0803     0.9844     0.9844    -0.0000
 38   0     0.9168     1.0000     0.0832     0.9782     0.9782    -0.0000
 39   0     0.9334     1.0000     0.0666     0.9772     0.9772    -0.0000
 40   0     0.8974     1.0000     0.1026     0.9769     0.9769    -0.0000
 41   0     0.9287     1.0000     0.0713     0.9833     0.9833     0.0000
 42   0     0.9105     1.0000     0.0895     0.9754     0.9754     0.0000
 43   0     0.9351     1.0000     0.0649     0.9700     0.9700     0.0000
 44   0     0.9197     1.0000     0.0803     0.9732     0.9732     0.0000
 45   0     6.1894     6.0000    -0.1894     3.9428     3.9428    -0.0000
 46   0     6.0952     6.0000    -0.0952     3.9397     3.9397     0.0000
 47   0     6.1494     6.0000    -0.1494     3.9191     3.9191    -0.0000
 48   0     6.2201     6.0000    -0.2201     3.8932     3.8932     0.0000
 49   0     6.1103     6.0000    -0.1103     3.8382     3.8382    -0.0000
 50   0     0.9135     1.0000     0.0865     0.9663     0.9663     0.0000
 51   0     0.9087     1.0000     0.0913     0.9754     0.9754    -0.0000
 52   0     0.9105     1.0000     0.0895     0.9744     0.9744     0.0000
 53   0     0.9239     1.0000     0.0761     0.9765     0.9765     0.0000
 54   0     0.9085     1.0000     0.0915     0.9742     0.9742    -0.0000
 55   0     0.9378     1.0000     0.0622     0.9890     0.9890    -0.0000
 56   0     0.9177     1.0000     0.0823     0.9762     0.9762     0.0000
 57   0     0.9488     1.0000     0.0512     0.9698     0.9698     0.0000
 58   0     0.9087     1.0000     0.0913     0.9671     0.9671     0.0000
 59   0     0.9678     1.0000     0.0322     0.9917     0.9917     0.0000
 60   0     6.1535     6.0000    -0.1535     3.8775     3.8775     0.0000
 61   0     6.1064     6.0000    -0.1064     3.9146     3.9146     0.0000
 62   0     6.1772     6.0000    -0.1772     3.9190     3.9190     0.0000
 63   0     6.1621     6.0000    -0.1621     3.8784     3.8784     0.0000
 64   0     6.1907     6.0000    -0.1907     3.8707     3.8707    -0.0000
 65   0     0.9403     1.0000     0.0597     0.9908     0.9908     0.0000
 66   0     0.9213     1.0000     0.0787     0.9782     0.9782    -0.0000
 67   0     0.9204     1.0000     0.0796     0.9824     0.9824    -0.0000
 68   0     0.9169     1.0000     0.0831     0.9761     0.9761    -0.0000
 69   0     0.9131     1.0000     0.0869     0.9736     0.9736     0.0000
 70   0     0.9158     1.0000     0.0842     0.9733     0.9733    -0.0000
 71   0     0.9132     1.0000     0.0868     0.9794     0.9794     0.0000
 72   0     0.9280     1.0000     0.0720     0.9768     0.9768     0.0000
 73   0     0.9197     1.0000     0.0803     0.9776     0.9776    -0.0000
 74   0     0.9216     1.0000     0.0784     0.9697     0.9697    -0.0000
 75   0     6.1502     6.0000    -0.1502     3.8907     3.8907    -0.0000
 76   0     6.1873     6.0000    -0.1873     3.8668     3.8668     0.0000
 77   0     6.1698     6.0000    -0.1698     3.8809     3.8809     0.0000
 78   0     6.1676     6.0000    -0.1676     3.8876     3.8876     0.0000
 79   0     6.1091     6.0000    -0.1091     3.8891     3.8891     0.0000
 80   0     0.9092     1.0000     0.0908     0.9773     0.9773    -0.0000
 81   0     0.9244     1.0000     0.0756     0.9847     0.9847     0.0000
 82   0     0.9274     1.0000     0.0726     0.9698     0.9698     0.0000
 83   0     0.9091     1.0000     0.0909     0.9716     0.9716     0.0000
 84   0     0.9232     1.0000     0.0768     0.9779     0.9779     0.0000
 85   0     0.9033     1.0000     0.0967     0.9703     0.9703     0.0000
 86   0     0.9235     1.0000     0.0765     0.9765     0.9765     0.0000
 87   0     0.8975     1.0000     0.1025     0.9748     0.9748     0.0000
 88   0     0.9796     1.0000     0.0204     1.0077     1.0077     0.0000
 89   0     0.9135     1.0000     0.0865     0.9763     0.9763     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                0.988435
                0             6               4            6                0.969720
                0             6               5            1                1.001327
                0             6               6            1                0.978810
                1             6               2            6                0.966757
                1             6               7            1                0.979220
                1             6               8            1                1.000139
                2             6               3            6                0.958603
                2             6               9            1                0.988614
                2             6              10            1                0.983025
                3             6               4            6                0.972876
                3             6              11            1                0.990083
                3             6              12            1                0.995031
                4             6              13            1                0.989285
                4             6              14            1                0.987091
               15             6              16            6                0.973700
               15             6              19            6                0.969966
               15             6              20            1                1.002161
               15             6              21            1                0.989447
               16             6              17            6                0.979553
               16             6              22            1                0.997308
               16             6              23            1                0.989198
               17             6              18            6                0.964616
               17             6              24            1                0.988097
               17             6              25            1                0.999908
               18             6              19            6                0.984774
               18             6              26            1                0.981681
               18             6              27            1                0.988478
               19             6              28            1                0.988669
               19             6              29            1                0.996277
               30             6              31            6                0.969400
               30             6              34            6                0.965716
               30             6              35            1                0.988854
               30             6              36            1                0.992397
               31             6              32            6                0.977622
               31             6              37            1                0.996231
               31             6              38            1                0.988192
               32             6              33            6                0.969748
               32             6              39            1                0.997982
               32             6              40            1                0.982251
               33             6              34            6                0.940610
               33             6              41            1                1.000617
               33             6              42            1                0.984719
               34             6              43            1                0.997692
               34             6              44            1                0.992230
               45             6              46            6                0.986923
               45             6              49            6                0.974996
               45             6              50            1                1.001148
               45             6              51            1                0.991936
               46             6              47            6                0.985226
               46             6              52            1                0.990307
               46             6              53            1                0.999193
               47             6              48            6                0.972757
               47             6              54            1                0.990259
               47             6              55            1                0.996232
               48             6              49            6                0.961230
               48             6              56            1                0.999399
               48             6              57            1                0.993100
               49             6              58            1                0.983567
               49             6              59            1                1.001604
               60             6              61            6                0.968878
               60             6              64            6                0.961783
               60             6              65            1                0.991333
               60             6              66            1                0.998529
               61             6              62            6                0.987942
               61             6              67            1                0.994038
               61             6              68            1                0.993911
               62             6              63            6                0.964897
               62             6              69            1                0.990593
               62             6              70            1                0.992956
               63             6              64            6                0.963279
               63             6              71            1                0.992938
               63             6              72            1                0.998584
               64             6              73            1                0.989123
               64             6              74            1                0.991021
               75             6              76            6                0.963276
               75             6              79            6                0.969503
               75             6              80            1                0.983565
               75             6              81            1                1.000395
               76             6              77            6                0.959181
               76             6              82            1                1.003487
               76             6              83            1                0.983382
               77             6              78            6                0.962625
               77             6              84            1                0.997449
               77             6              85            1                0.980488
               78             6              79            6                0.958423
               78             6              86            1                1.001677
               78             6              87            1                0.984004
               79             6              88            1                1.017892
               79             6              89            1                0.978345
# -----------------------------------------------------------
$ 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     6.1433     6.0000    -0.1433     4.0323     3.6936     0.3387
  1   0     6.1087     6.0000    -0.1087     3.9931     3.6586     0.3345
  2   0     6.2123     6.0000    -0.2123     3.9924     3.6639     0.3285
  3   0     6.1884     6.0000    -0.1884     3.9892     3.6636     0.3256
  4   0     6.1374     6.0000    -0.1374     3.9988     3.6747     0.3241
  5   0     0.9650     1.0000     0.0350     0.9921     0.9350     0.0571
  6   0     0.8912     1.0000     0.1088     0.9805     0.9287     0.0518
  7   0     0.8908     1.0000     0.1092     0.9820     0.9286     0.0534
  8   0     1.0138     1.0000    -0.0138     1.0369     0.9744     0.0625
  9   0     0.9029     1.0000     0.0971     0.9816     0.9308     0.0508
 10   0     0.9109     1.0000     0.0891     0.9675     0.9128     0.0547
 11   0     0.9016     1.0000     0.0984     0.9782     0.9269     0.0513
 12   0     0.9228     1.0000     0.0772     0.9826     0.9246     0.0580
 13   0     0.9107     1.0000     0.0893     0.9828     0.9298     0.0530
 14   0     0.9023     1.0000     0.0977     0.9798     0.9278     0.0520
 15   0     6.2148     6.0000    -0.2148     3.9912     3.6615     0.3297
 16   0     6.1505     6.0000    -0.1505     4.0296     3.7103     0.3193
 17   0     6.2188     6.0000    -0.2188     4.0151     3.6829     0.3322
 18   0     6.0299     6.0000    -0.0299     3.9545     3.6360     0.3185
 19   0     6.1968     6.0000    -0.1968     4.0487     3.7277     0.3210
 20   0     0.9263     1.0000     0.0737     0.9828     0.9259     0.0569
 21   0     0.8973     1.0000     0.1027     0.9775     0.9270     0.0505
 22   0     0.9093     1.0000     0.0907     0.9887     0.9395     0.0492
 23   0     0.9032     1.0000     0.0968     0.9824     0.9324     0.0500
 24   0     0.9012     1.0000     0.0988     0.9747     0.9205     0.0542
 25   0     0.9137     1.0000     0.0863     0.9798     0.9264     0.0534
 26   0     0.9085     1.0000     0.0915     0.9821     0.9330     0.0491
 27   0     0.9890     1.0000     0.0110     1.0147     0.9551     0.0596
 28   0     0.9093     1.0000     0.0907     0.9859     0.9363     0.0496
 29   0     0.9283     1.0000     0.0717     0.9871     0.9321     0.0550
 30   0     6.1265     6.0000    -0.1265     4.0060     3.6927     0.3133
 31   0     6.1679     6.0000    -0.1679     4.0171     3.6938     0.3233
 32   0     6.1670     6.0000    -0.1670     4.0161     3.6881     0.3280
 33   0     6.1936     6.0000    -0.1936     3.9742     3.6450     0.3292
 34   0     6.1812     6.0000    -0.1812     3.9614     3.6411     0.3203
 35   0     0.9118     1.0000     0.0882     0.9831     0.9311     0.0520
 36   0     0.9178     1.0000     0.0822     0.9900     0.9399     0.0501
 37   0     0.9157     1.0000     0.0843     0.9936     0.9405     0.0531
 38   0     0.9128     1.0000     0.0872     0.9876     0.9362     0.0514
 39   0     0.9297     1.0000     0.0703     0.9875     0.9302     0.0573
 40   0     0.8935     1.0000     0.1065     0.9854     0.9357     0.0497
 41   0     0.9249     1.0000     0.0751     0.9935     0.9398     0.0537
 42   0     0.9066     1.0000     0.0934     0.9846     0.9315     0.0531
 43   0     0.9310     1.0000     0.0690     0.9800     0.9244     0.0556
 44   0     0.9157     1.0000     0.0843     0.9827     0.9320     0.0507
 45   0     6.1983     6.0000    -0.1983     4.0536     3.7334     0.3202
 46   0     6.1044     6.0000    -0.1044     4.0451     3.7277     0.3174
 47   0     6.1564     6.0000    -0.1564     4.0267     3.7076     0.3191
 48   0     6.2281     6.0000    -0.2281     4.0106     3.6713     0.3393
 49   0     6.1182     6.0000    -0.1182     3.9476     3.6238     0.3238
 50   0     0.9091     1.0000     0.0909     0.9749     0.9234     0.0515
 51   0     0.9046     1.0000     0.0954     0.9845     0.9344     0.0501
 52   0     0.9064     1.0000     0.0936     0.9833     0.9322     0.0511
 53   0     0.9199     1.0000     0.0801     0.9859     0.9333     0.0526
 54   0     0.9044     1.0000     0.0956     0.9833     0.9341     0.0492
 55   0     0.9339     1.0000     0.0661     0.9992     0.9480     0.0512
 56   0     0.9131     1.0000     0.0869     0.9849     0.9327     0.0522
 57   0     0.9454     1.0000     0.0546     0.9821     0.9250     0.0571
 58   0     0.9041     1.0000     0.0959     0.9758     0.9236     0.0522
 59   0     0.9644     1.0000     0.0356     1.0041     0.9468     0.0573
 60   0     6.1615     6.0000    -0.1615     3.9880     3.6601     0.3279
 61   0     6.1137     6.0000    -0.1137     4.0167     3.7077     0.3090
 62   0     6.1856     6.0000    -0.1856     4.0294     3.7035     0.3259
 63   0     6.1692     6.0000    -0.1692     3.9879     3.6676     0.3203
 64   0     6.1976     6.0000    -0.1976     3.9825     3.6554     0.3271
 65   0     0.9369     1.0000     0.0631     1.0017     0.9458     0.0559
 66   0     0.9173     1.0000     0.0827     0.9875     0.9353     0.0522
 67   0     0.9166     1.0000     0.0834     0.9918     0.9424     0.0494
 68   0     0.9131     1.0000     0.0869     0.9855     0.9357     0.0498
 69   0     0.9094     1.0000     0.0906     0.9830     0.9290     0.0540
 70   0     0.9120     1.0000     0.0880     0.9825     0.9287     0.0538
 71   0     0.9094     1.0000     0.0906     0.9886     0.9394     0.0492
 72   0     0.9243     1.0000     0.0757     0.9869     0.9328     0.0541
 73   0     0.9157     1.0000     0.0843     0.9871     0.9337     0.0534
 74   0     0.9177     1.0000     0.0823     0.9796     0.9273     0.0523
 75   0     6.1576     6.0000    -0.1576     3.9988     3.6766     0.3222
 76   0     6.1952     6.0000    -0.1952     3.9792     3.6499     0.3293
 77   0     6.1781     6.0000    -0.1781     3.9933     3.6646     0.3287
 78   0     6.1742     6.0000    -0.1742     3.9971     3.6687     0.3284
 79   0     6.1174     6.0000    -0.1174     3.9978     3.6714     0.3264
 80   0     0.9052     1.0000     0.0948     0.9863     0.9348     0.0515
 81   0     0.9207     1.0000     0.0793     0.9945     0.9416     0.0529
 82   0     0.9234     1.0000     0.0766     0.9797     0.9243     0.0554
 83   0     0.9051     1.0000     0.0949     0.9809     0.9282     0.0527
 84   0     0.9193     1.0000     0.0807     0.9872     0.9351     0.0521
 85   0     0.8994     1.0000     0.1006     0.9793     0.9260     0.0533
 86   0     0.9202     1.0000     0.0798     0.9870     0.9326     0.0544
 87   0     0.8935     1.0000     0.1065     0.9836     0.9345     0.0491
 88   0     0.9759     1.0000     0.0241     1.0197     0.9642     0.0555
 89   0     0.9096     1.0000     0.0904     0.9855     0.9322     0.0533
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.917986
                0             6               4            6                0.903099
                0             6               5            1                0.956531
                0             6               6            1                0.936727
                1             6               2            6                0.899847
                1             6               7            1                0.935966
                1             6               8            1                0.952837
                2             6               3            6                0.897913
                2             6               9            1                0.948179
                2             6              10            1                0.940047
                3             6               4            6                0.910050
                3             6              11            1                0.948814
                3             6              12            1                0.948393
                4             6              13            1                0.947157
                4             6              14            1                0.945227
               15             6              16            6                0.910361
               15             6              19            6                0.905491
               15             6              20            1                0.956058
               15             6              21            1                0.949024
               16             6              17            6                0.915036
               16             6              22            1                0.958313
               16             6              23            1                0.949279
               17             6              18            6                0.899824
               17             6              24            1                0.944095
               17             6              25            1                0.957041
               18             6              19            6                0.924854
               18             6              26            1                0.942217
               18             6              27            1                0.942195
               19             6              28            1                0.949452
               19             6              29            1                0.951908
               30             6              31            6                0.907192
               30             6              34            6                0.905801
               30             6              35            1                0.947442
               30             6              36            1                0.952927
               31             6              32            6                0.913501
               31             6              37            1                0.953478
               31             6              38            1                0.947514
               32             6              33            6                0.904393
               32             6              39            1                0.951811
               32             6              40            1                0.942900
               33             6              34            6                0.877568
               33             6              41            1                0.958102
               33             6              42            1                0.942426
               34             6              43            1                0.953067
               34             6              44            1                0.952365
               45             6              46            6                0.923949
               45             6              49            6                0.913692
               45             6              50            1                0.958795
               45             6              51            1                0.952340
               46             6              47            6                0.923005
               46             6              52            1                0.949399
               46             6              53            1                0.956994
               47             6              48            6                0.905211
               47             6              54            1                0.951220
               47             6              55            1                0.956139
               48             6              49            6                0.896342
               48             6              56            1                0.956558
               48             6              57            1                0.948713
               49             6              58            1                0.940994
               49             6              59            1                0.957159
               60             6              61            6                0.905116
               60             6              64            6                0.896419
               60             6              65            1                0.947743
               60             6              66            1                0.956557
               61             6              62            6                0.926174
               61             6              67            1                0.955390
               61             6              68            1                0.954450
               62             6              63            6                0.901596
               62             6              69            1                0.947416
               62             6              70            1                0.949558
               63             6              64            6                0.900489
               63             6              71            1                0.954363
               63             6              72            1                0.955479
               64             6              73            1                0.946382
               64             6              74            1                0.949491
               75             6              76            6                0.897266
               75             6              79            6                0.908276
               75             6              80            1                0.942637
               75             6              81            1                0.958335
               76             6              77            6                0.896934
               76             6              82            1                0.958845
               76             6              83            1                0.941800
               77             6              78            6                0.896800
               77             6              84            1                0.955805
               77             6              85            1                0.937778
               78             6              79            6                0.891212
               78             6              86            1                0.958481
               78             6              87            1                0.945338
               79             6              88            1                0.975081
               79             6              89            1                0.935587
# -----------------------------------------------------------
$ 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     6.2130     6.0000    -0.2130     4.0122     3.6778     0.3344
  1   0     6.1637     6.0000    -0.1637     3.9718     3.6422     0.3296
  2   0     6.2636     6.0000    -0.2636     3.9687     3.6448     0.3239
  3   0     6.2279     6.0000    -0.2279     3.9555     3.6349     0.3206
  4   0     6.1810     6.0000    -0.1810     3.9669     3.6473     0.3196
  5   0     0.9226     1.0000     0.0774     0.9932     0.9379     0.0553
  6   0     0.8731     1.0000     0.1269     0.9740     0.9231     0.0509
  7   0     0.8723     1.0000     0.1277     0.9767     0.9243     0.0524
  8   0     0.9720     1.0000     0.0280     1.0322     0.9715     0.0607
  9   0     0.8798     1.0000     0.1202     0.9735     0.9239     0.0496
 10   0     0.8832     1.0000     0.1168     0.9677     0.9146     0.0531
 11   0     0.8801     1.0000     0.1199     0.9723     0.9220     0.0503
 12   0     0.8945     1.0000     0.1055     0.9780     0.9215     0.0565
 13   0     0.8900     1.0000     0.1100     0.9753     0.9233     0.0520
 14   0     0.8801     1.0000     0.1199     0.9788     0.9280     0.0508
 15   0     6.2612     6.0000    -0.2612     3.9708     3.6457     0.3251
 16   0     6.2076     6.0000    -0.2076     4.0070     3.6915     0.3155
 17   0     6.2615     6.0000    -0.2615     3.9854     3.6580     0.3274
 18   0     6.1200     6.0000    -0.1200     3.9633     3.6489     0.3144
 19   0     6.2380     6.0000    -0.2380     4.0071     3.6908     0.3163
 20   0     0.8972     1.0000     0.1028     0.9771     0.9216     0.0555
 21   0     0.8738     1.0000     0.1262     0.9712     0.9218     0.0494
 22   0     0.8839     1.0000     0.1161     0.9789     0.9308     0.0481
 23   0     0.8768     1.0000     0.1232     0.9761     0.9273     0.0488
 24   0     0.8804     1.0000     0.1196     0.9685     0.9153     0.0532
 25   0     0.8838     1.0000     0.1162     0.9741     0.9222     0.0519
 26   0     0.8863     1.0000     0.1137     0.9785     0.9306     0.0479
 27   0     0.9478     1.0000     0.0522     1.0090     0.9512     0.0578
 28   0     0.8837     1.0000     0.1163     0.9806     0.9322     0.0484
 29   0     0.8966     1.0000     0.1034     0.9813     0.9279     0.0534
 30   0     6.1830     6.0000    -0.1830     3.9821     3.6730     0.3091
 31   0     6.2177     6.0000    -0.2177     3.9974     3.6783     0.3191
 32   0     6.2160     6.0000    -0.2160     3.9993     3.6756     0.3237
 33   0     6.2439     6.0000    -0.2439     3.9554     3.6306     0.3248
 34   0     6.2266     6.0000    -0.2266     3.9367     3.6209     0.3158
 35   0     0.8890     1.0000     0.1110     0.9759     0.9250     0.0509
 36   0     0.8922     1.0000     0.1078     0.9880     0.9390     0.0490
 37   0     0.8868     1.0000     0.1132     0.9875     0.9358     0.0517
 38   0     0.8915     1.0000     0.1085     0.9797     0.9292     0.0505
 39   0     0.9014     1.0000     0.0986     0.9809     0.9249     0.0560
 40   0     0.8748     1.0000     0.1252     0.9804     0.9316     0.0488
 41   0     0.8935     1.0000     0.1065     0.9845     0.9322     0.0523
 42   0     0.8838     1.0000     0.1162     0.9775     0.9255     0.0520
 43   0     0.9041     1.0000     0.0959     0.9773     0.9230     0.0543
 44   0     0.8907     1.0000     0.1093     0.9750     0.9254     0.0496
 45   0     6.2449     6.0000    -0.2449     4.0197     3.7039     0.3158
 46   0     6.1624     6.0000    -0.1624     4.0241     3.7108     0.3133
 47   0     6.2078     6.0000    -0.2078     4.0021     3.6872     0.3149
 48   0     6.2693     6.0000    -0.2693     3.9737     3.6395     0.3342
 49   0     6.1910     6.0000    -0.1910     3.9422     3.6231     0.3191
 50   0     0.8793     1.0000     0.1207     0.9684     0.9183     0.0501
 51   0     0.8821     1.0000     0.1179     0.9794     0.9304     0.0490
 52   0     0.8852     1.0000     0.1148     0.9770     0.9269     0.0501
 53   0     0.8936     1.0000     0.1064     0.9809     0.9296     0.0513
 54   0     0.8804     1.0000     0.1196     0.9771     0.9291     0.0480
 55   0     0.9051     1.0000     0.0949     0.9921     0.9423     0.0498
 56   0     0.8858     1.0000     0.1142     0.9778     0.9269     0.0509
 57   0     0.9202     1.0000     0.0798     0.9894     0.9339     0.0555
 58   0     0.8814     1.0000     0.1186     0.9707     0.9197     0.0510
 59   0     0.9298     1.0000     0.0702     1.0040     0.9485     0.0555
 60   0     6.2195     6.0000    -0.2195     3.9713     3.6474     0.3239
 61   0     6.1743     6.0000    -0.1743     4.0017     3.6964     0.3053
 62   0     6.2306     6.0000    -0.2306     4.0115     3.6899     0.3216
 63   0     6.2234     6.0000    -0.2234     3.9758     3.6596     0.3162
 64   0     6.2404     6.0000    -0.2404     3.9616     3.6391     0.3225
 65   0     0.9043     1.0000     0.0957     0.9959     0.9415     0.0544
 66   0     0.8913     1.0000     0.1087     0.9779     0.9268     0.0511
 67   0     0.8917     1.0000     0.1083     0.9836     0.9353     0.0483
 68   0     0.8883     1.0000     0.1117     0.9783     0.9296     0.0487
 69   0     0.8867     1.0000     0.1133     0.9754     0.9224     0.0530
 70   0     0.8871     1.0000     0.1129     0.9744     0.9216     0.0528
 71   0     0.8834     1.0000     0.1166     0.9797     0.9316     0.0481
 72   0     0.8964     1.0000     0.1036     0.9783     0.9254     0.0529
 73   0     0.8905     1.0000     0.1095     0.9787     0.9264     0.0523
 74   0     0.8911     1.0000     0.1089     0.9745     0.9237     0.0508
 75   0     6.2130     6.0000    -0.2130     3.9810     3.6629     0.3181
 76   0     6.2330     6.0000    -0.2330     3.9514     3.6266     0.3248
 77   0     6.2263     6.0000    -0.2263     3.9818     3.6576     0.3242
 78   0     6.2216     6.0000    -0.2216     3.9770     3.6525     0.3245
 79   0     6.1814     6.0000    -0.1814     3.9799     3.6577     0.3222
 80   0     0.8825     1.0000     0.1175     0.9787     0.9283     0.0504
 81   0     0.8924     1.0000     0.1076     0.9895     0.9379     0.0516
 82   0     0.8967     1.0000     0.1033     0.9749     0.9208     0.0541
 83   0     0.8848     1.0000     0.1152     0.9751     0.9234     0.0517
 84   0     0.8923     1.0000     0.1077     0.9797     0.9288     0.0509
 85   0     0.8797     1.0000     0.1203     0.9728     0.9204     0.0524
 86   0     0.8927     1.0000     0.1073     0.9824     0.9294     0.0530
 87   0     0.8749     1.0000     0.1251     0.9767     0.9286     0.0481
 88   0     0.9350     1.0000     0.0650     1.0157     0.9619     0.0538
 89   0     0.8863     1.0000     0.1137     0.9764     0.9241     0.0523
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.915406
                0             6               4            6                0.910455
                0             6               5            1                0.941665
                0             6               6            1                0.922255
                1             6               2            6                0.903213
                1             6               7            1                0.921167
                1             6               8            1                0.946105
                2             6               3            6                0.903209
                2             6               9            1                0.933219
                2             6              10            1                0.928036
                3             6               4            6                0.913203
                3             6              11            1                0.935359
                3             6              12            1                0.931471
                4             6              13            1                0.930491
                4             6              14            1                0.935705
               15             6              16            6                0.915293
               15             6              19            6                0.906688
               15             6              20            1                0.941541
               15             6              21            1                0.936133
               16             6              17            6                0.917772
               16             6              22            1                0.943102
               16             6              23            1                0.938897
               17             6              18            6                0.906843
               17             6              24            1                0.927582
               17             6              25            1                0.943454
               18             6              19            6                0.929877
               18             6              26            1                0.929686
               18             6              27            1                0.933740
               19             6              28            1                0.935909
               19             6              29            1                0.939573
               30             6              31            6                0.912980
               30             6              34            6                0.910706
               30             6              35            1                0.930616
               30             6              36            1                0.946755
               31             6              32            6                0.924110
               31             6              37            1                0.938825
               31             6              38            1                0.932199
               32             6              33            6                0.910116
               32             6              39            1                0.937638
               32             6              40            1                0.931141
               33             6              34            6                0.884758
               33             6              41            1                0.947381
               33             6              42            1                0.928779
               34             6              43            1                0.939365
               34             6              44            1                0.939707
               45             6              46            6                0.927717
               45             6              49            6                0.919503
               45             6              50            1                0.946596
               45             6              51            1                0.936208
               46             6              47            6                0.932728
               46             6              52            1                0.934094
               46             6              53            1                0.942876
               47             6              48            6                0.902577
               47             6              54            1                0.937443
               47             6              55            1                0.944767
               48             6              49            6                0.898578
               48             6              56            1                0.939412
               48             6              57            1                0.936845
               49             6              58            1                0.926244
               49             6              59            1                0.944979
               60             6              61            6                0.911176
               60             6              64            6                0.900372
               60             6              65            1                0.936529
               60             6              66            1                0.942303
               61             6              62            6                0.935173
               61             6              67            1                0.943367
               61             6              68            1                0.943991
               62             6              63            6                0.912519
               62             6              69            1                0.930726
               62             6              70            1                0.936539
               63             6              64            6                0.906774
               63             6              71            1                0.941908
               63             6              72            1                0.942140
               64             6              73            1                0.935139
               64             6              74            1                0.937552
               75             6              76            6                0.900127
               75             6              79            6                0.916259
               75             6              80            1                0.929739
               75             6              81            1                0.948821
               76             6              77            6                0.907234
               76             6              82            1                0.947516
               76             6              83            1                0.927744
               77             6              78            6                0.903460
               77             6              84            1                0.945381
               77             6              85            1                0.924195
               78             6              79            6                0.897668
               78             6              86            1                0.946691
               78             6              87            1                0.932700
               79             6              88            1                0.961670
               79             6              89            1                0.920607
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1888959903
        Correlation Energy:       -5.0922123761
        Total MP2 Energy:      -1176.2811083664
# -----------------------------------------------------------
$ 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) :        0.2825594614
        Electronic Contribution:
                  0    
      0      -0.214613
      1      -0.295407
      2      -0.186139
        Nuclear Contribution:
                  0    
      0       0.184768
      1       0.232968
      2       0.273135
        Total Dipole moment:
                  0    
      0      -0.029846
      1      -0.062438
      2       0.086997
# -----------------------------------------------------------
$ 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) :        0.2830316707
        Electronic Contribution:
                  0    
      0      -0.214361
      1      -0.294775
      2      -0.185368
        Nuclear Contribution:
                  0    
      0       0.184768
      1       0.232968
      2       0.273135
        Total Dipole moment:
                  0    
      0      -0.029593
      1      -0.061807
      2       0.087768
# -----------------------------------------------------------
$ 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) :        0.2558136729
        Electronic Contribution:
                  0    
      0      -0.204235
      1      -0.286655
      2      -0.190264
        Nuclear Contribution:
                  0    
      0       0.184768
      1       0.232968
      2       0.273135
        Total Dipole moment:
                  0    
      0      -0.019467
      1      -0.053687
      2       0.082872
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     22.910000000000   22.430000000000   18.170000000000
               1 C     22.040000000000   22.370000000000   19.540000000000
               2 C     22.930000000000   23.110000000000   20.630000000000
               3 C     24.190000000000   23.650000000000   20.020000000000
               4 C     24.170000000000   23.330000000000   18.540000000000
               5 H     22.450000000000   22.970000000000   17.330000000000
               6 H     23.090000000000   21.390000000000   17.820000000000
               7 H     21.700000000000   21.350000000000   19.900000000000
               8 H     21.150000000000   22.980000000000   19.350000000000
               9 H     23.220000000000   22.440000000000   21.420000000000
              10 H     22.360000000000   23.890000000000   21.130000000000
              11 H     25.060000000000   23.300000000000   20.600000000000
              12 H     24.180000000000   24.800000000000   20.100000000000
              13 H     25.080000000000   22.720000000000   18.420000000000
              14 H     24.250000000000   24.290000000000   18.020000000000
              15 C     18.330000000000   22.160000000000   20.710000000000
              16 C     18.420000000000   21.910000000000   19.190000000000
              17 C     18.590000000000   23.360000000000   18.620000000000
              18 C     18.810000000000   24.370000000000   19.770000000000
              19 C     18.700000000000   23.630000000000   21.050000000000
              20 H     19.130000000000   21.520000000000   21.180000000000
              21 H     17.390000000000   21.800000000000   21.110000000000
              22 H     17.540000000000   21.430000000000   18.870000000000
              23 H     19.170000000000   21.210000000000   18.900000000000
              24 H     17.690000000000   23.640000000000   17.980000000000
              25 H     19.420000000000   23.450000000000   17.940000000000
              26 H     18.060000000000   25.120000000000   19.670000000000
              27 H     19.870000000000   24.750000000000   19.680000000000
              28 H     17.990000000000   24.040000000000   21.720000000000
              29 H     19.670000000000   23.540000000000   21.590000000000
              30 C     18.760000000000   23.170000000000   24.810000000000
              31 C     19.020000000000   21.710000000000   24.380000000000
              32 C     20.550000000000   21.500000000000   24.270000000000
              33 C     21.210000000000   22.880000000000   24.670000000000
              34 C     20.070000000000   23.780000000000   25.160000000000
              35 H     18.170000000000   23.250000000000   25.740000000000
              36 H     18.360000000000   23.810000000000   24.080000000000
              37 H     18.510000000000   21.520000000000   23.410000000000
              38 H     18.650000000000   21.020000000000   25.140000000000
              39 H     20.710000000000   21.410000000000   23.150000000000
              40 H     20.960000000000   20.640000000000   24.790000000000
              41 H     21.610000000000   23.460000000000   23.840000000000
              42 H     22.030000000000   22.740000000000   25.420000000000
              43 H     20.250000000000   24.750000000000   24.610000000000
              44 H     20.220000000000   23.920000000000   26.210000000000
              45 C     20.820000000000   27.360000000000   19.550000000000
              46 C     20.010000000000   27.540000000000   18.270000000000
              47 C     20.660000000000   26.700000000000   17.170000000000
              48 C     21.840000000000   25.870000000000   17.860000000000
              49 C     21.970000000000   26.430000000000   19.290000000000
              50 H     20.140000000000   26.940000000000   20.290000000000
              51 H     21.200000000000   28.270000000000   19.960000000000
              52 H     19.920000000000   28.580000000000   17.930000000000
              53 H     19.020000000000   27.160000000000   18.530000000000
              54 H     21.080000000000   27.280000000000   16.400000000000
              55 H     19.980000000000   26.030000000000   16.750000000000
              56 H     22.810000000000   26.040000000000   17.390000000000
              57 H     21.670000000000   24.790000000000   17.840000000000
              58 H     22.950000000000   26.950000000000   19.380000000000
              59 H     21.950000000000   25.530000000000   19.880000000000
              60 C     23.120000000000   26.490000000000   24.380000000000
              61 C     23.350000000000   27.860000000000   25.070000000000
              62 C     23.510000000000   28.940000000000   24.000000000000
              63 C     23.280000000000   28.260000000000   22.610000000000
              64 C     23.230000000000   26.730000000000   22.820000000000
              65 H     22.160000000000   25.970000000000   24.640000000000
              66 H     23.920000000000   25.800000000000   24.640000000000
              67 H     24.210000000000   27.760000000000   25.670000000000
              68 H     22.470000000000   28.000000000000   25.640000000000
              69 H     24.510000000000   29.470000000000   24.040000000000
              70 H     22.770000000000   29.770000000000   24.180000000000
              71 H     23.920000000000   28.490000000000   21.820000000000
              72 H     22.310000000000   28.620000000000   22.230000000000
              73 H     24.150000000000   26.270000000000   22.390000000000
              74 H     22.390000000000   26.300000000000   22.310000000000
              75 C     20.000000000000   23.650000000000   14.460000000000
              76 C     19.630000000000   24.990000000000   13.700000000000
              77 C     20.820000000000   25.930000000000   13.540000000000
              78 C     22.070000000000   25.090000000000   14.070000000000
              79 C     21.520000000000   23.630000000000   14.510000000000
              80 H     19.630000000000   22.750000000000   13.950000000000
              81 H     19.520000000000   23.730000000000   15.440000000000
              82 H     18.950000000000   25.480000000000   14.440000000000
              83 H     19.120000000000   24.780000000000   12.730000000000
              84 H     20.590000000000   26.780000000000   14.160000000000
              85 H     20.830000000000   26.340000000000   12.480000000000
              86 H     22.430000000000   25.520000000000   15.000000000000
              87 H     22.870000000000   25.210000000000   13.380000000000
              88 H     21.900000000000   23.380000000000   15.480000000000
              89 H     21.980000000000   22.810000000000   13.910000000000
