-------------------------------------------------------------
----------------------- !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:    -1171.2059111929
# -----------------------------------------------------------
$ 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     6.1415     6.0000    -0.1415     3.9079     3.9079    -0.0000
  1   0     6.2067     6.0000    -0.2067     3.8836     3.8836     0.0000
  2   0     6.1739     6.0000    -0.1739     3.8763     3.8763     0.0000
  3   0     6.1304     6.0000    -0.1304     3.8820     3.8820    -0.0000
  4   0     6.1661     6.0000    -0.1661     3.8989     3.8989     0.0000
  5   0     0.9110     1.0000     0.0890     0.9758     0.9758    -0.0000
  6   0     0.9234     1.0000     0.0766     0.9779     0.9779     0.0000
  7   0     0.9120     1.0000     0.0880     0.9700     0.9700     0.0000
  8   0     0.9096     1.0000     0.0904     0.9742     0.9742    -0.0000
  9   0     0.9203     1.0000     0.0797     0.9699     0.9699     0.0000
 10   0     0.9119     1.0000     0.0881     0.9743     0.9743    -0.0000
 11   0     0.9181     1.0000     0.0819     0.9777     0.9777     0.0000
 12   0     0.9250     1.0000     0.0750     0.9739     0.9739    -0.0000
 13   0     0.9292     1.0000     0.0708     0.9757     0.9757     0.0000
 14   0     0.9081     1.0000     0.0919     0.9770     0.9770     0.0000
 15   0     6.2077     6.0000    -0.2077     3.9029     3.9029    -0.0000
 16   0     6.1989     6.0000    -0.1989     3.8708     3.8708    -0.0000
 17   0     6.1353     6.0000    -0.1353     3.9103     3.9103    -0.0000
 18   0     6.1772     6.0000    -0.1772     3.9012     3.9012    -0.0000
 19   0     6.0860     6.0000    -0.0860     3.8564     3.8564     0.0000
 20   0     0.9019     1.0000     0.0981     0.9640     0.9640    -0.0000
 21   0     0.9246     1.0000     0.0754     0.9721     0.9721    -0.0000
 22   0     0.9233     1.0000     0.0767     0.9688     0.9688    -0.0000
 23   0     0.9226     1.0000     0.0774     0.9740     0.9740     0.0000
 24   0     0.9149     1.0000     0.0851     0.9847     0.9847    -0.0000
 25   0     0.9182     1.0000     0.0818     0.9804     0.9804     0.0000
 26   0     0.9175     1.0000     0.0825     0.9645     0.9645    -0.0000
 27   0     0.9103     1.0000     0.0897     0.9729     0.9729    -0.0000
 28   0     0.9430     1.0000     0.0570     0.9870     0.9870    -0.0000
 29   0     0.9099     1.0000     0.0901     0.9684     0.9684     0.0000
 30   0     6.1142     6.0000    -0.1142     3.8638     3.8638    -0.0000
 31   0     6.1456     6.0000    -0.1456     3.8972     3.8972    -0.0000
 32   0     6.1589     6.0000    -0.1589     3.8970     3.8970     0.0000
 33   0     6.1795     6.0000    -0.1795     3.9238     3.9238    -0.0000
 34   0     6.1329     6.0000    -0.1329     3.9107     3.9107    -0.0000
 35   0     0.9488     1.0000     0.0512     0.9934     0.9934     0.0000
 36   0     0.9610     1.0000     0.0390     0.9988     0.9988    -0.0000
 37   0     0.9294     1.0000     0.0706     0.9829     0.9829    -0.0000
 38   0     0.9266     1.0000     0.0734     0.9829     0.9829    -0.0000
 39   0     0.9283     1.0000     0.0717     0.9782     0.9782     0.0000
 40   0     0.9067     1.0000     0.0933     0.9727     0.9727    -0.0000
 41   0     0.9204     1.0000     0.0796     0.9733     0.9733     0.0000
 42   0     0.9167     1.0000     0.0833     0.9810     0.9810     0.0000
 43   0     0.9292     1.0000     0.0708     0.9819     0.9819    -0.0000
 44   0     0.9102     1.0000     0.0898     0.9723     0.9723    -0.0000
 45   0     6.2245     6.0000    -0.2245     3.8952     3.8952     0.0000
 46   0     6.0849     6.0000    -0.0849     3.8973     3.8973    -0.0000
 47   0     6.1850     6.0000    -0.1850     3.9098     3.9098    -0.0000
 48   0     6.1061     6.0000    -0.1061     3.8377     3.8377     0.0000
 49   0     6.1343     6.0000    -0.1343     3.8962     3.8962     0.0000
 50   0     0.9194     1.0000     0.0806     0.9722     0.9722     0.0000
 51   0     0.9095     1.0000     0.0905     0.9723     0.9723     0.0000
 52   0     0.9149     1.0000     0.0851     0.9861     0.9861    -0.0000
 53   0     0.9376     1.0000     0.0624     0.9944     0.9944    -0.0000
 54   0     0.9161     1.0000     0.0839     0.9796     0.9796    -0.0000
 55   0     0.9266     1.0000     0.0734     0.9802     0.9802    -0.0000
 56   0     0.9272     1.0000     0.0728     0.9847     0.9847     0.0000
 57   0     0.9841     1.0000     0.0159     1.0046     1.0046    -0.0000
 58   0     0.9158     1.0000     0.0842     0.9802     0.9802     0.0000
 59   0     0.9194     1.0000     0.0806     0.9710     0.9710    -0.0000
 60   0     6.1937     6.0000    -0.1937     3.8998     3.8998    -0.0000
 61   0     6.1468     6.0000    -0.1468     3.8861     3.8861    -0.0000
 62   0     6.1663     6.0000    -0.1663     3.9069     3.9069     0.0000
 63   0     6.1184     6.0000    -0.1184     3.8453     3.8453    -0.0000
 64   0     6.1342     6.0000    -0.1342     3.9067     3.9067    -0.0000
 65   0     0.9145     1.0000     0.0855     0.9756     0.9756    -0.0000
 66   0     0.9181     1.0000     0.0819     0.9747     0.9747    -0.0000
 67   0     0.9253     1.0000     0.0747     0.9785     0.9785     0.0000
 68   0     0.9155     1.0000     0.0845     0.9740     0.9740    -0.0000
 69   0     0.9140     1.0000     0.0860     0.9759     0.9759     0.0000
 70   0     0.9208     1.0000     0.0792     0.9778     0.9778     0.0000
 71   0     0.9281     1.0000     0.0719     0.9749     0.9749    -0.0000
 72   0     0.9778     1.0000     0.0222     1.0162     1.0162     0.0000
 73   0     0.9176     1.0000     0.0824     0.9791     0.9791    -0.0000
 74   0     0.9180     1.0000     0.0820     0.9738     0.9738    -0.0000
 75   0     6.1415     6.0000    -0.1415     3.9035     3.9035    -0.0000
 76   0     6.1465     6.0000    -0.1465     3.9021     3.9021     0.0000
 77   0     6.1793     6.0000    -0.1793     3.9128     3.9128     0.0000
 78   0     6.1485     6.0000    -0.1485     3.8481     3.8481     0.0000
 79   0     6.2046     6.0000    -0.2046     3.9053     3.9053     0.0000
 80   0     0.9233     1.0000     0.0767     0.9754     0.9754    -0.0000
 81   0     0.9161     1.0000     0.0839     0.9766     0.9766    -0.0000
 82   0     0.9280     1.0000     0.0720     0.9752     0.9752    -0.0000
 83   0     0.9048     1.0000     0.0952     0.9769     0.9769    -0.0000
 84   0     0.9146     1.0000     0.0854     0.9767     0.9767     0.0000
 85   0     0.9198     1.0000     0.0802     0.9709     0.9709    -0.0000
 86   0     0.8933     1.0000     0.1067     0.9667     0.9667    -0.0000
 87   0     0.9390     1.0000     0.0610     0.9828     0.9828     0.0000
 88   0     0.9299     1.0000     0.0701     0.9775     0.9775     0.0000
 89   0     0.9096     1.0000     0.0904     0.9719     0.9719     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                0.972293
                0             6               4            6                0.976138
                0             6               5            1                0.991741
                0             6               6            1                0.998994
                1             6               2            6                0.956110
                1             6               7            1                0.993681
                1             6               8            1                0.997380
                2             6               3            6                0.971894
                2             6               9            1                0.985861
                2             6              10            1                0.990261
                3             6               4            6                0.972864
                3             6              11            1                0.990984
                3             6              12            1                0.995138
                4             6              13            1                0.999643
                4             6              14            1                0.990365
               15             6              16            6                0.974792
               15             6              19            6                0.961388
               15             6              20            1                0.984630
               15             6              21            1                0.994445
               16             6              17            6                0.957052
               16             6              22            1                0.995007
               16             6              23            1                0.993999
               17             6              18            6                0.981436
               17             6              24            1                0.997114
               17             6              25            1                0.998346
               18             6              19            6                0.966171
               18             6              26            1                0.988677
               18             6              27            1                0.991865
               19             6              28            1                0.992790
               19             6              29            1                0.987827
               30             6              31            6                0.970448
               30             6              34            6                0.964513
               30             6              35            1                1.002330
               30             6              36            1                0.988279
               31             6              32            6                0.973509
               31             6              37            1                0.980402
               31             6              38            1                1.000292
               32             6              33            6                0.975883
               32             6              39            1                0.997120
               32             6              40            1                0.987452
               33             6              34            6                0.986547
               33             6              41            1                0.993494
               33             6              42            1                0.992521
               34             6              43            1                0.994106
               34             6              44            1                0.988467
               45             6              46            6                0.965426
               45             6              49            6                0.969392
               45             6              50            1                0.997396
               45             6              51            1                0.994442
               46             6              47            6                0.968883
               46             6              52            1                0.995862
               46             6              53            1                1.001041
               47             6              48            6                0.942911
               47             6              54            1                1.004274
               47             6              55            1                0.997765
               48             6              49            6                0.956652
               48             6              56            1                0.993682
               48             6              57            1                1.016178
               49             6              58            1                0.991226
               49             6              59            1                0.998315
               60             6              61            6                0.962159
               60             6              64            6                0.984883
               60             6              65            1                0.989888
               60             6              66            1                0.991414
               61             6              62            6                0.974886
               61             6              67            1                0.999754
               61             6              68            1                0.989333
               62             6              63            6                0.953855
               62             6              69            1                0.987144
               62             6              70            1                1.002151
               63             6              64            6                0.958183
               63             6              71            1                0.985467
               63             6              72            1                1.002678
               64             6              73            1                0.989112
               64             6              74            1                0.993826
               75             6              76            6                0.974240
               75             6              79            6                0.979174
               75             6              80            1                0.989793
               75             6              81            1                0.992764
               76             6              77            6                0.983783
               76             6              82            1                0.991579
               76             6              83            1                0.990289
               77             6              78            6                0.960400
               77             6              84            1                0.995000
               77             6              85            1                0.991673
               78             6              79            6                0.962032
               78             6              86            1                0.980640
               78             6              87            1                0.998149
               79             6              88            1                0.996163
               79             6              89            1                0.989059
# -----------------------------------------------------------
$ 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     6.1492     6.0000    -0.1492     4.0148     3.6982     0.3166
  1   0     6.2149     6.0000    -0.2149     3.9984     3.6670     0.3314
  2   0     6.1815     6.0000    -0.1815     3.9887     3.6669     0.3218
  3   0     6.1385     6.0000    -0.1385     3.9908     3.6715     0.3193
  4   0     6.1735     6.0000    -0.1735     4.0068     3.6906     0.3162
  5   0     0.9074     1.0000     0.0926     0.9852     0.9353     0.0499
  6   0     0.9195     1.0000     0.0805     0.9872     0.9362     0.0510
  7   0     0.9081     1.0000     0.0919     0.9793     0.9255     0.0538
  8   0     0.9056     1.0000     0.0944     0.9832     0.9313     0.0519
  9   0     0.9160     1.0000     0.0840     0.9794     0.9262     0.0532
 10   0     0.9074     1.0000     0.0926     0.9829     0.9327     0.0502
 11   0     0.9144     1.0000     0.0856     0.9873     0.9336     0.0537
 12   0     0.9212     1.0000     0.0788     0.9837     0.9300     0.0537
 13   0     0.9253     1.0000     0.0747     0.9856     0.9349     0.0507
 14   0     0.9044     1.0000     0.0956     0.9861     0.9346     0.0515
 15   0     6.2165     6.0000    -0.2165     4.0191     3.6854     0.3337
 16   0     6.2058     6.0000    -0.2058     3.9801     3.6567     0.3234
 17   0     6.1435     6.0000    -0.1435     4.0189     3.6986     0.3203
 18   0     6.1847     6.0000    -0.1847     4.0130     3.6844     0.3286
 19   0     6.0958     6.0000    -0.0958     3.9671     3.6465     0.3206
 20   0     0.8975     1.0000     0.1025     0.9728     0.9204     0.0524
 21   0     0.9204     1.0000     0.0796     0.9819     0.9254     0.0565
 22   0     0.9194     1.0000     0.0806     0.9786     0.9235     0.0551
 23   0     0.9188     1.0000     0.0812     0.9840     0.9298     0.0542
 24   0     0.9109     1.0000     0.0891     0.9936     0.9446     0.0490
 25   0     0.9143     1.0000     0.0857     0.9900     0.9374     0.0526
 26   0     0.9139     1.0000     0.0861     0.9756     0.9210     0.0546
 27   0     0.9061     1.0000     0.0939     0.9820     0.9297     0.0523
 28   0     0.9385     1.0000     0.0615     0.9965     0.9461     0.0504
 29   0     0.9057     1.0000     0.0943     0.9772     0.9227     0.0545
 30   0     6.1216     6.0000    -0.1216     3.9711     3.6484     0.3227
 31   0     6.1534     6.0000    -0.1534     4.0059     3.6796     0.3263
 32   0     6.1669     6.0000    -0.1669     4.0066     3.6833     0.3233
 33   0     6.1870     6.0000    -0.1870     4.0317     3.7124     0.3193
 34   0     6.1408     6.0000    -0.1408     4.0176     3.7003     0.3173
 35   0     0.9447     1.0000     0.0553     1.0036     0.9510     0.0526
 36   0     0.9576     1.0000     0.0424     1.0107     0.9521     0.0586
 37   0     0.9261     1.0000     0.0739     0.9935     0.9368     0.0567
 38   0     0.9226     1.0000     0.0774     0.9924     0.9420     0.0504
 39   0     0.9243     1.0000     0.0757     0.9879     0.9360     0.0519
 40   0     0.9029     1.0000     0.0971     0.9818     0.9300     0.0518
 41   0     0.9165     1.0000     0.0835     0.9827     0.9316     0.0511
 42   0     0.9129     1.0000     0.0871     0.9904     0.9384     0.0520
 43   0     0.9252     1.0000     0.0748     0.9914     0.9377     0.0537
 44   0     0.9065     1.0000     0.0935     0.9815     0.9296     0.0519
 45   0     6.2320     6.0000    -0.2320     4.0090     3.6746     0.3344
 46   0     6.0925     6.0000    -0.0925     4.0020     3.6848     0.3172
 47   0     6.1929     6.0000    -0.1929     4.0213     3.6955     0.3258
 48   0     6.1134     6.0000    -0.1134     3.9471     3.6251     0.3220
 49   0     6.1422     6.0000    -0.1422     4.0039     3.6825     0.3214
 50   0     0.9157     1.0000     0.0843     0.9818     0.9255     0.0563
 51   0     0.9057     1.0000     0.0943     0.9817     0.9286     0.0531
 52   0     0.9109     1.0000     0.0891     0.9949     0.9466     0.0483
 53   0     0.9342     1.0000     0.0658     1.0049     0.9501     0.0548
 54   0     0.9120     1.0000     0.0880     0.9890     0.9401     0.0489
 55   0     0.9233     1.0000     0.0767     0.9906     0.9357     0.0549
 56   0     0.9232     1.0000     0.0768     0.9945     0.9430     0.0515
 57   0     0.9798     1.0000     0.0202     1.0157     0.9570     0.0587
 58   0     0.9119     1.0000     0.0881     0.9893     0.9394     0.0499
 59   0     0.9154     1.0000     0.0846     0.9805     0.9269     0.0536
 60   0     6.2015     6.0000    -0.2015     4.0105     3.6824     0.3281
 61   0     6.1545     6.0000    -0.1545     3.9926     3.6754     0.3172
 62   0     6.1738     6.0000    -0.1738     4.0145     3.7018     0.3127
 63   0     6.1253     6.0000    -0.1253     3.9513     3.6339     0.3174
 64   0     6.1419     6.0000    -0.1419     4.0126     3.6972     0.3154
 65   0     0.9107     1.0000     0.0893     0.9849     0.9314     0.0535
 66   0     0.9143     1.0000     0.0857     0.9841     0.9292     0.0549
 67   0     0.9214     1.0000     0.0786     0.9882     0.9363     0.0519
 68   0     0.9117     1.0000     0.0883     0.9834     0.9317     0.0517
 69   0     0.9103     1.0000     0.0897     0.9853     0.9333     0.0520
 70   0     0.9170     1.0000     0.0830     0.9872     0.9372     0.0500
 71   0     0.9242     1.0000     0.0758     0.9848     0.9288     0.0560
 72   0     0.9743     1.0000     0.0257     1.0282     0.9724     0.0558
 73   0     0.9138     1.0000     0.0862     0.9885     0.9377     0.0508
 74   0     0.9141     1.0000     0.0859     0.9832     0.9320     0.0512
 75   0     6.1493     6.0000    -0.1493     4.0113     3.6939     0.3174
 76   0     6.1538     6.0000    -0.1538     4.0085     3.6927     0.3158
 77   0     6.1878     6.0000    -0.1878     4.0237     3.6992     0.3245
 78   0     6.1561     6.0000    -0.1561     3.9598     3.6340     0.3258
 79   0     6.2123     6.0000    -0.2123     4.0172     3.6913     0.3259
 80   0     0.9194     1.0000     0.0806     0.9852     0.9333     0.0519
 81   0     0.9122     1.0000     0.0878     0.9859     0.9345     0.0514
 82   0     0.9241     1.0000     0.0759     0.9850     0.9305     0.0545
 83   0     0.9009     1.0000     0.0991     0.9857     0.9347     0.0510
 84   0     0.9107     1.0000     0.0893     0.9860     0.9340     0.0520
 85   0     0.9160     1.0000     0.0840     0.9805     0.9259     0.0546
 86   0     0.8891     1.0000     0.1109     0.9750     0.9250     0.0500
 87   0     0.9351     1.0000     0.0649     0.9931     0.9390     0.0541
 88   0     0.9259     1.0000     0.0741     0.9874     0.9352     0.0522
 89   0     0.9057     1.0000     0.0943     0.9811     0.9285     0.0526
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.907120
                0             6               4            6                0.914814
                0             6               5            1                0.952539
                0             6               6            1                0.958329
                1             6               2            6                0.893082
                1             6               7            1                0.950079
                1             6               8            1                0.955658
                2             6               3            6                0.912839
                2             6               9            1                0.942941
                2             6              10            1                0.949710
                3             6               4            6                0.909760
                3             6              11            1                0.948475
                3             6              12            1                0.952464
                4             6              13            1                0.959879
                4             6              14            1                0.949546
               15             6              16            6                0.910253
               15             6              19            6                0.900155
               15             6              20            1                0.942184
               15             6              21            1                0.948492
               16             6              17            6                0.896697
               16             6              22            1                0.950941
               16             6              23            1                0.951006
               17             6              18            6                0.914348
               17             6              24            1                0.958450
               17             6              25            1                0.956633
               18             6              19            6                0.904417
               18             6              26            1                0.946148
               18             6              27            1                0.949921
               19             6              28            1                0.953084
               19             6              29            1                0.943370
               30             6              31            6                0.905140
               30             6              34            6                0.904004
               30             6              35            1                0.960762
               30             6              36            1                0.942936
               31             6              32            6                0.909164
               31             6              37            1                0.935706
               31             6              38            1                0.960431
               32             6              33            6                0.911902
               32             6              39            1                0.955792
               32             6              40            1                0.946350
               33             6              34            6                0.924329
               33             6              41            1                0.952918
               33             6              42            1                0.951467
               34             6              43            1                0.951371
               34             6              44            1                0.947162
               45             6              46            6                0.902713
               45             6              49            6                0.902235
               45             6              50            1                0.951907
               45             6              51            1                0.952045
               46             6              47            6                0.903834
               46             6              52            1                0.957704
               46             6              53            1                0.957823
               47             6              48            6                0.880626
               47             6              54            1                0.965541
               47             6              55            1                0.954153
               48             6              49            6                0.896273
               48             6              56            1                0.953058
               48             6              57            1                0.968979
               49             6              58            1                0.951866
               49             6              59            1                0.955186
               60             6              61            6                0.898509
               60             6              64            6                0.921226
               60             6              65            1                0.947043
               60             6              66            1                0.947351
               61             6              62            6                0.913065
               61             6              67            1                0.958580
               61             6              68            1                0.948238
               62             6              63            6                0.895047
               62             6              69            1                0.946048
               62             6              70            1                0.962522
               63             6              64            6                0.896587
               63             6              71            1                0.940421
               63             6              72            1                0.960080
               64             6              73            1                0.949064
               64             6              74            1                0.953121
               75             6              76            6                0.913305
               75             6              79            6                0.915461
               75             6              80            1                0.949026
               75             6              81            1                0.952103
               76             6              77            6                0.923006
               76             6              82            1                0.948375
               76             6              83            1                0.949758
               77             6              78            6                0.896186
               77             6              84            1                0.953583
               77             6              85            1                0.948057
               78             6              79            6                0.898185
               78             6              86            1                0.940173
               78             6              87            1                0.955193
               79             6              88            1                0.955060
               79             6              89            1                0.947090
# -----------------------------------------------------------
$ 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     6.2037     6.0000    -0.2037     3.9974     3.6844     0.3130
  1   0     6.2588     6.0000    -0.2588     3.9877     3.6608     0.3269
  2   0     6.2305     6.0000    -0.2305     3.9895     3.6722     0.3173
  3   0     6.1919     6.0000    -0.1919     3.9826     3.6676     0.3150
  4   0     6.2241     6.0000    -0.2241     3.9889     3.6767     0.3122
  5   0     0.8848     1.0000     0.1152     0.9779     0.9289     0.0490
  6   0     0.8927     1.0000     0.1073     0.9780     0.9280     0.0500
  7   0     0.8844     1.0000     0.1156     0.9727     0.9200     0.0527
  8   0     0.8812     1.0000     0.1188     0.9744     0.9236     0.0508
  9   0     0.8947     1.0000     0.1053     0.9735     0.9214     0.0521
 10   0     0.8810     1.0000     0.1190     0.9744     0.9255     0.0489
 11   0     0.8883     1.0000     0.1117     0.9789     0.9264     0.0525
 12   0     0.8945     1.0000     0.1055     0.9741     0.9215     0.0526
 13   0     0.8977     1.0000     0.1023     0.9755     0.9258     0.0497
 14   0     0.8805     1.0000     0.1195     0.9770     0.9265     0.0505
 15   0     6.2543     6.0000    -0.2543     3.9874     3.6586     0.3288
 16   0     6.2519     6.0000    -0.2519     3.9576     3.6389     0.3187
 17   0     6.1956     6.0000    -0.1956     4.0013     3.6852     0.3161
 18   0     6.2274     6.0000    -0.2274     3.9924     3.6681     0.3243
 19   0     6.1603     6.0000    -0.1603     3.9607     3.6447     0.3160
 20   0     0.8779     1.0000     0.1221     0.9696     0.9183     0.0513
 21   0     0.8918     1.0000     0.1082     0.9771     0.9220     0.0551
 22   0     0.8924     1.0000     0.1076     0.9725     0.9187     0.0538
 23   0     0.8910     1.0000     0.1090     0.9771     0.9242     0.0529
 24   0     0.8872     1.0000     0.1128     0.9874     0.9395     0.0479
 25   0     0.8901     1.0000     0.1099     0.9831     0.9317     0.0514
 26   0     0.8940     1.0000     0.1060     0.9782     0.9250     0.0532
 27   0     0.8834     1.0000     0.1166     0.9732     0.9221     0.0511
 28   0     0.9138     1.0000     0.0862     0.9961     0.9470     0.0491
 29   0     0.8816     1.0000     0.1184     0.9707     0.9174     0.0533
 30   0     6.1932     6.0000    -0.1932     3.9663     3.6479     0.3184
 31   0     6.2084     6.0000    -0.2084     3.9832     3.6611     0.3221
 32   0     6.2158     6.0000    -0.2158     3.9877     3.6685     0.3192
 33   0     6.2323     6.0000    -0.2323     4.0053     3.6901     0.3152
 34   0     6.1940     6.0000    -0.1940     4.0016     3.6884     0.3132
 35   0     0.9074     1.0000     0.0926     0.9905     0.9395     0.0510
 36   0     0.9245     1.0000     0.0755     1.0023     0.9452     0.0571
 37   0     0.8989     1.0000     0.1011     0.9906     0.9352     0.0554
 38   0     0.8951     1.0000     0.1049     0.9826     0.9334     0.0492
 39   0     0.8979     1.0000     0.1021     0.9793     0.9285     0.0508
 40   0     0.8814     1.0000     0.1186     0.9763     0.9255     0.0508
 41   0     0.8917     1.0000     0.1083     0.9756     0.9255     0.0501
 42   0     0.8885     1.0000     0.1115     0.9816     0.9307     0.0509
 43   0     0.8966     1.0000     0.1034     0.9826     0.9301     0.0525
 44   0     0.8834     1.0000     0.1166     0.9753     0.9244     0.0509
 45   0     6.2677     6.0000    -0.2677     3.9865     3.6567     0.3298
 46   0     6.1597     6.0000    -0.1597     3.9991     3.6856     0.3135
 47   0     6.2438     6.0000    -0.2438     4.0025     3.6811     0.3214
 48   0     6.1828     6.0000    -0.1828     3.9388     3.6211     0.3177
 49   0     6.1917     6.0000    -0.1917     3.9867     3.6695     0.3172
 50   0     0.8916     1.0000     0.1084     0.9738     0.9186     0.0552
 51   0     0.8822     1.0000     0.1178     0.9731     0.9210     0.0521
 52   0     0.8861     1.0000     0.1139     0.9859     0.9387     0.0472
 53   0     0.9074     1.0000     0.0926     0.9963     0.9427     0.0536
 54   0     0.8855     1.0000     0.1145     0.9817     0.9341     0.0476
 55   0     0.8940     1.0000     0.1060     0.9834     0.9299     0.0535
 56   0     0.8948     1.0000     0.1052     0.9872     0.9371     0.0501
 57   0     0.9344     1.0000     0.0656     1.0013     0.9446     0.0567
 58   0     0.8871     1.0000     0.1129     0.9812     0.9324     0.0488
 59   0     0.8943     1.0000     0.1057     0.9759     0.9234     0.0525
 60   0     6.2432     6.0000    -0.2432     3.9863     3.6626     0.3237
 61   0     6.2094     6.0000    -0.2094     3.9741     3.6607     0.3134
 62   0     6.2245     6.0000    -0.2245     3.9944     3.6858     0.3086
 63   0     6.1916     6.0000    -0.1916     3.9475     3.6345     0.3130
 64   0     6.1922     6.0000    -0.1922     3.9892     3.6779     0.3113
 65   0     0.8867     1.0000     0.1133     0.9778     0.9253     0.0525
 66   0     0.8909     1.0000     0.1091     0.9773     0.9234     0.0539
 67   0     0.8953     1.0000     0.1047     0.9792     0.9283     0.0509
 68   0     0.8869     1.0000     0.1131     0.9770     0.9263     0.0507
 69   0     0.8852     1.0000     0.1148     0.9768     0.9259     0.0509
 70   0     0.8894     1.0000     0.1106     0.9806     0.9317     0.0489
 71   0     0.8976     1.0000     0.1024     0.9769     0.9220     0.0549
 72   0     0.9345     1.0000     0.0655     1.0146     0.9603     0.0543
 73   0     0.8901     1.0000     0.1099     0.9815     0.9317     0.0498
 74   0     0.8897     1.0000     0.1103     0.9778     0.9277     0.0501
 75   0     6.2072     6.0000    -0.2072     4.0040     3.6905     0.3135
 76   0     6.2014     6.0000    -0.2014     4.0006     3.6892     0.3114
 77   0     6.2337     6.0000    -0.2337     4.0145     3.6943     0.3202
 78   0     6.2066     6.0000    -0.2066     3.9585     3.6370     0.3215
 79   0     6.2528     6.0000    -0.2528     3.9954     3.6738     0.3216
 80   0     0.8938     1.0000     0.1062     0.9764     0.9255     0.0509
 81   0     0.8864     1.0000     0.1136     0.9760     0.9257     0.0503
 82   0     0.9001     1.0000     0.0999     0.9760     0.9225     0.0535
 83   0     0.8797     1.0000     0.1203     0.9777     0.9277     0.0500
 84   0     0.8875     1.0000     0.1125     0.9769     0.9259     0.0510
 85   0     0.8919     1.0000     0.1081     0.9727     0.9191     0.0536
 86   0     0.8688     1.0000     0.1312     0.9700     0.9210     0.0490
 87   0     0.9084     1.0000     0.0916     0.9837     0.9308     0.0529
 88   0     0.8995     1.0000     0.1005     0.9776     0.9265     0.0511
 89   0     0.8814     1.0000     0.1186     0.9759     0.9245     0.0514
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.914830
                0             6               4            6                0.921212
                0             6               5            1                0.938483
                0             6               6            1                0.946964
                1             6               2            6                0.900834
                1             6               7            1                0.936464
                1             6               8            1                0.941337
                2             6               3            6                0.931717
                2             6               9            1                0.926784
                2             6              10            1                0.937579
                3             6               4            6                0.917746
                3             6              11            1                0.930985
                3             6              12            1                0.937610
                4             6              13            1                0.947608
                4             6              14            1                0.933914
               15             6              16            6                0.911713
               15             6              19            6                0.907717
               15             6              20            1                0.928430
               15             6              21            1                0.933751
               16             6              17            6                0.908194
               16             6              22            1                0.937051
               16             6              23            1                0.936227
               17             6              18            6                0.918464
               17             6              24            1                0.945827
               17             6              25            1                0.940030
               18             6              19            6                0.914877
               18             6              26            1                0.934215
               18             6              27            1                0.933352
               19             6              28            1                0.943827
               19             6              29            1                0.925754
               30             6              31            6                0.906419
               30             6              34            6                0.923068
               30             6              35            1                0.947659
               30             6              36            1                0.927793
               31             6              32            6                0.916928
               31             6              37            1                0.921896
               31             6              38            1                0.947865
               32             6              33            6                0.919756
               32             6              39            1                0.943100
               32             6              40            1                0.933140
               33             6              34            6                0.928041
               33             6              41            1                0.941053
               33             6              42            1                0.936807
               34             6              43            1                0.936887
               34             6              44            1                0.932588
               45             6              46            6                0.919061
               45             6              49            6                0.904240
               45             6              50            1                0.936195
               45             6              51            1                0.937422
               46             6              47            6                0.910532
               46             6              52            1                0.946923
               46             6              53            1                0.939623
               47             6              48            6                0.889827
               47             6              54            1                0.950447
               47             6              55            1                0.938654
               48             6              49            6                0.911116
               48             6              56            1                0.937435
               48             6              57            1                0.953547
               49             6              58            1                0.939488
               49             6              59            1                0.939964
               60             6              61            6                0.904569
               60             6              64            6                0.926851
               60             6              65            1                0.935465
               60             6              66            1                0.933463
               61             6              62            6                0.918552
               61             6              67            1                0.944315
               61             6              68            1                0.938121
               62             6              63            6                0.907517
               62             6              69            1                0.931471
               62             6              70            1                0.951445
               63             6              64            6                0.904352
               63             6              71            1                0.925103
               63             6              72            1                0.948929
               64             6              73            1                0.937036
               64             6              74            1                0.942478
               75             6              76            6                0.927660
               75             6              79            6                0.923876
               75             6              80            1                0.936717
               75             6              81            1                0.936616
               76             6              77            6                0.936300
               76             6              82            1                0.931040
               76             6              83            1                0.934990
               77             6              78            6                0.910004
               77             6              84            1                0.936631
               77             6              85            1                0.933882
               78             6              79            6                0.905403
               78             6              86            1                0.930403
               78             6              87            1                0.941455
               79             6              88            1                0.941668
               79             6              89            1                0.932591
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2059111929
        Correlation Energy:       -5.0732878714
        Total MP2 Energy:      -1176.2791990643
# -----------------------------------------------------------
$ 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) :        0.2663843851
        Electronic Contribution:
                  0    
      0      -0.506094
      1      -0.373840
      2      -0.232117
        Nuclear Contribution:
                  0    
      0       0.441836
      1       0.433803
      2       0.289202
        Total Dipole moment:
                  0    
      0      -0.064257
      1       0.059964
      2       0.057085
# -----------------------------------------------------------
$ 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) :        0.2677221046
        Electronic Contribution:
                  0    
      0      -0.505499
      1      -0.373042
      2      -0.231330
        Nuclear Contribution:
                  0    
      0       0.441836
      1       0.433803
      2       0.289202
        Total Dipole moment:
                  0    
      0      -0.063662
      1       0.060761
      2       0.057872
# -----------------------------------------------------------
$ 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) :        0.2788161974
        Electronic Contribution:
                  0    
      0      -0.493184
      1      -0.367864
      2      -0.218153
        Nuclear Contribution:
                  0    
      0       0.441836
      1       0.433803
      2       0.289202
        Total Dipole moment:
                  0    
      0      -0.051347
      1       0.065939
      2       0.071049
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     17.750000000000   22.060000000000   15.770000000000
               1 C     18.430000000000   21.070000000000   14.740000000000
               2 C     19.370000000000   20.130000000000   15.550000000000
               3 C     19.160000000000   20.470000000000   16.990000000000
               4 C     18.440000000000   21.830000000000   17.110000000000
               5 H     16.690000000000   21.930000000000   15.730000000000
               6 H     17.950000000000   23.080000000000   15.500000000000
               7 H     18.970000000000   21.670000000000   13.960000000000
               8 H     17.640000000000   20.520000000000   14.210000000000
               9 H     20.400000000000   20.330000000000   15.170000000000
              10 H     19.180000000000   19.070000000000   15.460000000000
              11 H     20.070000000000   20.430000000000   17.630000000000
              12 H     18.480000000000   19.780000000000   17.520000000000
              13 H     19.160000000000   22.590000000000   17.230000000000
              14 H     17.850000000000   21.950000000000   18.030000000000
              15 C     20.930000000000   14.150000000000   12.470000000000
              16 C     21.820000000000   14.050000000000   13.730000000000
              17 C     21.100000000000   14.620000000000   14.900000000000
              18 C     19.860000000000   15.400000000000   14.230000000000
              19 C     19.710000000000   14.980000000000   12.780000000000
              20 H     20.620000000000   13.160000000000   12.050000000000
              21 H     21.610000000000   14.750000000000   11.780000000000
              22 H     22.790000000000   14.600000000000   13.580000000000
              23 H     22.100000000000   12.990000000000   13.850000000000
              24 H     21.770000000000   15.210000000000   15.450000000000
              25 H     20.820000000000   13.720000000000   15.460000000000
              26 H     20.030000000000   16.480000000000   14.320000000000
              27 H     18.910000000000   15.250000000000   14.760000000000
              28 H     19.670000000000   15.800000000000   12.140000000000
              29 H     18.730000000000   14.430000000000   12.540000000000
              30 C     23.000000000000   18.570000000000   15.770000000000
              31 C     24.140000000000   18.470000000000   14.710000000000
              32 C     25.370000000000   19.080000000000   15.430000000000
              33 C     24.920000000000   19.590000000000   16.830000000000
              34 C     23.570000000000   18.930000000000   17.120000000000
              35 H     22.570000000000   17.610000000000   15.810000000000
              36 H     22.140000000000   19.240000000000   15.440000000000
              37 H     23.800000000000   18.920000000000   13.710000000000
              38 H     24.400000000000   17.460000000000   14.620000000000
              39 H     25.570000000000   19.930000000000   14.810000000000
              40 H     26.270000000000   18.440000000000   15.540000000000
              41 H     24.820000000000   20.660000000000   16.770000000000
              42 H     25.680000000000   19.390000000000   17.600000000000
              43 H     22.860000000000   19.650000000000   17.570000000000
              44 H     23.700000000000   18.120000000000   17.860000000000
              45 C     21.300000000000   20.200000000000   10.830000000000
              46 C     19.920000000000   19.820000000000   11.430000000000
              47 C     20.130000000000   18.410000000000   12.120000000000
              48 C     21.630000000000   18.080000000000   11.980000000000
              49 C     22.410000000000   19.130000000000   11.230000000000
              50 H     21.760000000000   21.190000000000   11.170000000000
              51 H     21.240000000000   20.320000000000    9.730000000000
              52 H     19.200000000000   19.810000000000   10.680000000000
              53 H     19.580000000000   20.540000000000   12.200000000000
              54 H     19.540000000000   17.700000000000   11.650000000000
              55 H     19.870000000000   18.380000000000   13.190000000000
              56 H     21.870000000000   17.100000000000   11.670000000000
              57 H     22.070000000000   18.040000000000   13.010000000000
              58 H     22.880000000000   18.760000000000   10.350000000000
              59 H     23.160000000000   19.680000000000   11.850000000000
              60 C     16.210000000000   10.740000000000   15.060000000000
              61 C     17.350000000000   10.510000000000   16.070000000000
              62 C     18.620000000000   11.130000000000   15.480000000000
              63 C     18.290000000000   11.800000000000   14.190000000000
              64 C     16.810000000000   11.610000000000   13.920000000000
              65 H     15.400000000000   11.230000000000   15.660000000000
              66 H     15.870000000000    9.710000000000   14.690000000000
              67 H     17.430000000000    9.430000000000   16.120000000000
              68 H     17.150000000000   10.920000000000   17.070000000000
              69 H     19.410000000000   10.370000000000   15.480000000000
              70 H     19.010000000000   11.890000000000   16.080000000000
              71 H     18.870000000000   11.500000000000   13.250000000000
              72 H     18.470000000000   12.860000000000   14.200000000000
              73 H     16.740000000000   11.120000000000   12.960000000000
              74 H     16.280000000000   12.550000000000   13.990000000000
              75 C     24.380000000000   10.960000000000   10.310000000000
              76 C     24.780000000000   11.640000000000    9.010000000000
              77 C     24.240000000000   13.050000000000    9.090000000000
              78 C     23.120000000000   13.080000000000   10.190000000000
              79 C     23.090000000000   11.670000000000   10.820000000000
              80 H     25.190000000000   11.010000000000   11.030000000000
              81 H     24.160000000000    9.900000000000   10.280000000000
              82 H     24.250000000000   11.100000000000    8.180000000000
              83 H     25.850000000000   11.550000000000    8.770000000000
              84 H     23.800000000000   13.470000000000    8.180000000000
              85 H     25.080000000000   13.770000000000    9.340000000000
              86 H     22.130000000000   13.420000000000    9.850000000000
              87 H     23.550000000000   13.680000000000   10.990000000000
              88 H     22.210000000000   11.170000000000   10.440000000000
              89 H     22.980000000000   11.670000000000   11.920000000000
