-------------------------------------------------------------
----------------------- !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:    -1171.1830793599
# -----------------------------------------------------------
$ 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     6.2223     6.0000    -0.2223     3.8965     3.8965    -0.0000
  1   0     6.1072     6.0000    -0.1072     3.9204     3.9204     0.0000
  2   0     6.1645     6.0000    -0.1645     3.8752     3.8752     0.0000
  3   0     6.1797     6.0000    -0.1797     3.9040     3.9040     0.0000
  4   0     6.0936     6.0000    -0.0936     3.8570     3.8570    -0.0000
  5   0     0.9290     1.0000     0.0710     0.9734     0.9734    -0.0000
  6   0     0.9133     1.0000     0.0867     0.9766     0.9766     0.0000
  7   0     0.9070     1.0000     0.0930     0.9783     0.9783     0.0000
  8   0     0.9401     1.0000     0.0599     0.9854     0.9854     0.0000
  9   0     0.9125     1.0000     0.0875     0.9814     0.9814     0.0000
 10   0     0.9278     1.0000     0.0722     0.9756     0.9756    -0.0000
 11   0     0.9097     1.0000     0.0903     0.9739     0.9739     0.0000
 12   0     0.9213     1.0000     0.0787     0.9776     0.9776     0.0000
 13   0     0.8982     1.0000     0.1018     0.9724     0.9724     0.0000
 14   0     0.9772     1.0000     0.0228     1.0262     1.0262    -0.0000
 15   0     6.1198     6.0000    -0.1198     3.9381     3.9381    -0.0000
 16   0     6.1208     6.0000    -0.1208     3.8868     3.8868    -0.0000
 17   0     6.1771     6.0000    -0.1771     3.8945     3.8945    -0.0000
 18   0     6.1654     6.0000    -0.1654     3.8708     3.8708    -0.0000
 19   0     6.1968     6.0000    -0.1968     3.9129     3.9129    -0.0000
 20   0     0.9147     1.0000     0.0853     0.9726     0.9726    -0.0000
 21   0     0.9195     1.0000     0.0805     0.9829     0.9829    -0.0000
 22   0     0.9228     1.0000     0.0772     0.9756     0.9756    -0.0000
 23   0     0.9156     1.0000     0.0844     0.9797     0.9797    -0.0000
 24   0     0.9079     1.0000     0.0921     0.9732     0.9732    -0.0000
 25   0     0.9580     1.0000     0.0420     0.9747     0.9747     0.0000
 26   0     0.9186     1.0000     0.0814     0.9790     0.9790    -0.0000
 27   0     0.9262     1.0000     0.0738     0.9761     0.9761    -0.0000
 28   0     0.9248     1.0000     0.0752     0.9717     0.9717     0.0000
 29   0     0.9096     1.0000     0.0904     0.9798     0.9798    -0.0000
 30   0     6.1681     6.0000    -0.1681     3.8844     3.8844    -0.0000
 31   0     6.1540     6.0000    -0.1540     3.8937     3.8937    -0.0000
 32   0     6.1688     6.0000    -0.1688     3.9086     3.9086     0.0000
 33   0     6.1375     6.0000    -0.1375     3.8797     3.8797    -0.0000
 34   0     6.2378     6.0000    -0.2378     3.8672     3.8672    -0.0000
 35   0     0.9024     1.0000     0.0976     0.9648     0.9648    -0.0000
 36   0     0.9180     1.0000     0.0820     0.9728     0.9728     0.0000
 37   0     0.9150     1.0000     0.0850     0.9742     0.9742     0.0000
 38   0     0.9076     1.0000     0.0924     0.9683     0.9683    -0.0000
 39   0     0.9081     1.0000     0.0919     0.9683     0.9683    -0.0000
 40   0     0.9070     1.0000     0.0930     0.9791     0.9791     0.0000
 41   0     0.9152     1.0000     0.0848     0.9769     0.9769    -0.0000
 42   0     0.9185     1.0000     0.0815     0.9783     0.9783    -0.0000
 43   0     0.9002     1.0000     0.0998     0.9676     0.9676    -0.0000
 44   0     0.9351     1.0000     0.0649     0.9678     0.9678     0.0000
 45   0     6.1489     6.0000    -0.1489     3.8480     3.8480    -0.0000
 46   0     6.1745     6.0000    -0.1745     3.8872     3.8872     0.0000
 47   0     6.2152     6.0000    -0.2152     3.9228     3.9228    -0.0000
 48   0     6.0971     6.0000    -0.0971     3.8491     3.8491    -0.0000
 49   0     6.2053     6.0000    -0.2053     3.9265     3.9265    -0.0000
 50   0     0.9001     1.0000     0.0999     0.9760     0.9760     0.0000
 51   0     0.9427     1.0000     0.0573     0.9787     0.9787     0.0000
 52   0     0.9104     1.0000     0.0896     0.9697     0.9697     0.0000
 53   0     0.9053     1.0000     0.0947     0.9776     0.9776     0.0000
 54   0     0.9194     1.0000     0.0806     0.9780     0.9780    -0.0000
 55   0     0.8995     1.0000     0.1005     0.9699     0.9699    -0.0000
 56   0     0.9185     1.0000     0.0815     0.9756     0.9756     0.0000
 57   0     0.9209     1.0000     0.0791     0.9739     0.9739     0.0000
 58   0     0.9117     1.0000     0.0883     0.9793     0.9793     0.0000
 59   0     0.9325     1.0000     0.0675     0.9805     0.9805     0.0000
 60   0     6.1401     6.0000    -0.1401     3.9327     3.9327    -0.0000
 61   0     6.1529     6.0000    -0.1529     3.8918     3.8918     0.0000
 62   0     6.1791     6.0000    -0.1791     3.8697     3.8697     0.0000
 63   0     6.1177     6.0000    -0.1177     3.8706     3.8706     0.0000
 64   0     6.1512     6.0000    -0.1512     3.9473     3.9473    -0.0000
 65   0     0.9123     1.0000     0.0877     0.9770     0.9770    -0.0000
 66   0     0.9245     1.0000     0.0755     0.9797     0.9797    -0.0000
 67   0     0.9324     1.0000     0.0676     0.9881     0.9881     0.0000
 68   0     0.9161     1.0000     0.0839     0.9794     0.9794     0.0000
 69   0     0.9502     1.0000     0.0498     0.9768     0.9768     0.0000
 70   0     0.9246     1.0000     0.0754     0.9757     0.9757     0.0000
 71   0     0.9464     1.0000     0.0536     0.9789     0.9789     0.0000
 72   0     0.9197     1.0000     0.0803     0.9772     0.9772     0.0000
 73   0     0.9042     1.0000     0.0958     0.9737     0.9737    -0.0000
 74   0     0.9338     1.0000     0.0662     0.9799     0.9799    -0.0000
 75   0     6.1205     6.0000    -0.1205     3.9174     3.9174    -0.0000
 76   0     6.2145     6.0000    -0.2145     3.9194     3.9194     0.0000
 77   0     6.0744     6.0000    -0.0744     3.8268     3.8268    -0.0000
 78   0     6.1458     6.0000    -0.1458     3.9257     3.9257    -0.0000
 79   0     6.1499     6.0000    -0.1499     3.9350     3.9350     0.0000
 80   0     0.9121     1.0000     0.0879     0.9730     0.9730    -0.0000
 81   0     0.9233     1.0000     0.0767     0.9854     0.9854    -0.0000
 82   0     0.9262     1.0000     0.0738     0.9761     0.9761     0.0000
 83   0     0.9530     1.0000     0.0470     0.9756     0.9756     0.0000
 84   0     0.9447     1.0000     0.0553     0.9848     0.9848    -0.0000
 85   0     0.9354     1.0000     0.0646     0.9786     0.9786     0.0000
 86   0     0.9213     1.0000     0.0787     0.9729     0.9729    -0.0000
 87   0     0.9340     1.0000     0.0660     0.9773     0.9773    -0.0000
 88   0     0.9223     1.0000     0.0777     0.9718     0.9718    -0.0000
 89   0     0.9214     1.0000     0.0786     0.9756     0.9756     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                0.976624
                0             6               4            6                0.955731
                0             6               5            1                0.997332
                0             6               6            1                0.980013
                1             6               2            6                0.978021
                1             6               7            1                0.993136
                1             6               8            1                0.999337
                2             6               3            6                0.957212
                2             6               9            1                0.990333
                2             6              10            1                0.995050
                3             6               4            6                0.971848
                3             6              11            1                0.986451
                3             6              12            1                1.004532
                4             6              13            1                0.975183
                4             6              14            1                1.013275
               15             6              16            6                0.990116
               15             6              19            6                0.985074
               15             6              20            1                0.986472
               15             6              21            1                0.991827
               16             6              17            6                0.956298
               16             6              22            1                0.993807
               16             6              23            1                0.989586
               17             6              18            6                0.972532
               17             6              24            1                0.985640
               17             6              25            1                1.003030
               18             6              19            6                0.954224
               18             6              26            1                0.992992
               18             6              27            1                0.994451
               19             6              28            1                1.004770
               19             6              29            1                1.000359
               30             6              31            6                0.971073
               30             6              34            6                0.967654
               30             6              35            1                0.986903
               30             6              36            1                0.992209
               31             6              32            6                0.977709
               31             6              37            1                0.994280
               31             6              38            1                0.988188
               32             6              33            6                0.978039
               32             6              39            1                0.989593
               32             6              40            1                0.995251
               33             6              34            6                0.957358
               33             6              41            1                0.993418
               33             6              42            1                0.995965
               34             6              43            1                0.986788
               34             6              44            1                0.994135
               45             6              46            6                0.950388
               45             6              49            6                0.977774
               45             6              50            1                0.988576
               45             6              51            1                0.989368
               46             6              47            6                0.982956
               46             6              52            1                0.991879
               46             6              53            1                0.991274
               47             6              48            6                0.973420
               47             6              54            1                0.997329
               47             6              55            1                0.987633
               48             6              49            6                0.959628
               48             6              56            1                0.994960
               48             6              57            1                0.992128
               49             6              58            1                0.997285
               49             6              59            1                0.996614
               60             6              61            6                0.977714
               60             6              64            6                0.995313
               60             6              65            1                0.992534
               60             6              66            1                0.991844
               61             6              62            6                0.971151
               61             6              67            1                0.994194
               61             6              68            1                0.981848
               62             6              63            6                0.948295
               62             6              69            1                1.003489
               62             6              70            1                0.988899
               63             6              64            6                0.980353
               63             6              71            1                0.995814
               63             6              72            1                0.993402
               64             6              73            1                0.982562
               64             6              74            1                0.995884
               75             6              76            6                0.975490
               75             6              79            6                0.991288
               75             6              80            1                0.984001
               75             6              81            1                0.994569
               76             6              77            6                0.938582
               76             6              82            1                1.002411
               76             6              83            1                1.001045
               77             6              78            6                0.959820
               77             6              84            1                1.006651
               77             6              85            1                0.998834
               78             6              79            6                0.992251
               78             6              86            1                0.995192
               78             6              87            1                0.994426
               79             6              88            1                0.996969
               79             6              89            1                0.991799
# -----------------------------------------------------------
$ 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     6.2288     6.0000    -0.2288     4.0075     3.6842     0.3233
  1   0     6.1150     6.0000    -0.1150     4.0251     3.7075     0.3176
  2   0     6.1714     6.0000    -0.1714     3.9855     3.6625     0.3230
  3   0     6.1883     6.0000    -0.1883     4.0164     3.6846     0.3318
  4   0     6.1012     6.0000    -0.1012     3.9652     3.6345     0.3307
  5   0     0.9259     1.0000     0.0741     0.9848     0.9334     0.0514
  6   0     0.9095     1.0000     0.0905     0.9859     0.9295     0.0564
  7   0     0.9032     1.0000     0.0968     0.9872     0.9368     0.0504
  8   0     0.9362     1.0000     0.0638     0.9954     0.9416     0.0538
  9   0     0.9084     1.0000     0.0916     0.9907     0.9389     0.0518
 10   0     0.9242     1.0000     0.0758     0.9863     0.9341     0.0522
 11   0     0.9058     1.0000     0.0942     0.9832     0.9314     0.0518
 12   0     0.9173     1.0000     0.0827     0.9869     0.9357     0.0512
 13   0     0.8943     1.0000     0.1057     0.9812     0.9257     0.0555
 14   0     0.9736     1.0000     0.0264     1.0373     0.9817     0.0556
 15   0     6.1282     6.0000    -0.1282     4.0433     3.7341     0.3092
 16   0     6.1286     6.0000    -0.1286     3.9935     3.6799     0.3136
 17   0     6.1854     6.0000    -0.1854     4.0072     3.6765     0.3307
 18   0     6.1730     6.0000    -0.1730     3.9815     3.6598     0.3217
 19   0     6.2050     6.0000    -0.2050     4.0247     3.7040     0.3207
 20   0     0.9107     1.0000     0.0893     0.9820     0.9319     0.0501
 21   0     0.9152     1.0000     0.0848     0.9918     0.9436     0.0482
 22   0     0.9187     1.0000     0.0813     0.9852     0.9343     0.0509
 23   0     0.9116     1.0000     0.0884     0.9889     0.9372     0.0517
 24   0     0.9036     1.0000     0.0964     0.9820     0.9296     0.0524
 25   0     0.9547     1.0000     0.0453     0.9870     0.9297     0.0573
 26   0     0.9146     1.0000     0.0854     0.9882     0.9383     0.0499
 27   0     0.9217     1.0000     0.0783     0.9853     0.9330     0.0523
 28   0     0.9210     1.0000     0.0790     0.9816     0.9269     0.0547
 29   0     0.9057     1.0000     0.0943     0.9885     0.9412     0.0473
 30   0     6.1770     6.0000    -0.1770     3.9993     3.6708     0.3285
 31   0     6.1625     6.0000    -0.1625     4.0036     3.6797     0.3239
 32   0     6.1773     6.0000    -0.1773     4.0196     3.6969     0.3227
 33   0     6.1448     6.0000    -0.1448     3.9877     3.6667     0.3210
 34   0     6.2453     6.0000    -0.2453     3.9830     3.6544     0.3286
 35   0     0.8982     1.0000     0.1018     0.9736     0.9221     0.0515
 36   0     0.9137     1.0000     0.0863     0.9822     0.9282     0.0540
 37   0     0.9109     1.0000     0.0891     0.9834     0.9308     0.0526
 38   0     0.9038     1.0000     0.0962     0.9775     0.9252     0.0523
 39   0     0.9040     1.0000     0.0960     0.9773     0.9237     0.0536
 40   0     0.9030     1.0000     0.0970     0.9878     0.9378     0.0500
 41   0     0.9111     1.0000     0.0889     0.9861     0.9342     0.0519
 42   0     0.9146     1.0000     0.0854     0.9880     0.9362     0.0518
 43   0     0.8960     1.0000     0.1040     0.9761     0.9240     0.0521
 44   0     0.9312     1.0000     0.0688     0.9783     0.9227     0.0556
 45   0     6.1576     6.0000    -0.1576     3.9630     3.6371     0.3259
 46   0     6.1823     6.0000    -0.1823     3.9999     3.6698     0.3301
 47   0     6.2228     6.0000    -0.2228     4.0353     3.7033     0.3320
 48   0     6.1047     6.0000    -0.1047     3.9548     3.6395     0.3153
 49   0     6.2142     6.0000    -0.2142     4.0412     3.7091     0.3321
 50   0     0.8957     1.0000     0.1043     0.9844     0.9341     0.0503
 51   0     0.9381     1.0000     0.0619     0.9886     0.9352     0.0534
 52   0     0.9066     1.0000     0.0934     0.9792     0.9241     0.0551
 53   0     0.9015     1.0000     0.0985     0.9866     0.9342     0.0524
 54   0     0.9157     1.0000     0.0843     0.9875     0.9335     0.0540
 55   0     0.8959     1.0000     0.1041     0.9789     0.9257     0.0532
 56   0     0.9146     1.0000     0.0854     0.9851     0.9333     0.0518
 57   0     0.9169     1.0000     0.0831     0.9834     0.9300     0.0534
 58   0     0.9078     1.0000     0.0922     0.9880     0.9351     0.0529
 59   0     0.9280     1.0000     0.0720     0.9897     0.9344     0.0553
 60   0     6.1484     6.0000    -0.1484     4.0391     3.7253     0.3138
 61   0     6.1603     6.0000    -0.1603     4.0008     3.6769     0.3239
 62   0     6.1870     6.0000    -0.1870     3.9807     3.6556     0.3251
 63   0     6.1263     6.0000    -0.1263     3.9777     3.6612     0.3165
 64   0     6.1588     6.0000    -0.1588     4.0515     3.7383     0.3132
 65   0     0.9082     1.0000     0.0918     0.9860     0.9378     0.0482
 66   0     0.9207     1.0000     0.0793     0.9894     0.9376     0.0518
 67   0     0.9283     1.0000     0.0717     0.9976     0.9470     0.0506
 68   0     0.9120     1.0000     0.0880     0.9887     0.9368     0.0519
 69   0     0.9467     1.0000     0.0533     0.9881     0.9314     0.0567
 70   0     0.9203     1.0000     0.0797     0.9850     0.9342     0.0508
 71   0     0.9425     1.0000     0.0575     0.9894     0.9320     0.0574
 72   0     0.9156     1.0000     0.0844     0.9863     0.9358     0.0505
 73   0     0.9002     1.0000     0.0998     0.9823     0.9347     0.0476
 74   0     0.9299     1.0000     0.0701     0.9898     0.9355     0.0543
 75   0     6.1281     6.0000    -0.1281     4.0213     3.7070     0.3143
 76   0     6.2210     6.0000    -0.2210     4.0291     3.7077     0.3214
 77   0     6.0820     6.0000    -0.0820     3.9333     3.6200     0.3133
 78   0     6.1545     6.0000    -0.1545     4.0324     3.7147     0.3177
 79   0     6.1579     6.0000    -0.1579     4.0400     3.7288     0.3112
 80   0     0.9083     1.0000     0.0917     0.9823     0.9296     0.0527
 81   0     0.9194     1.0000     0.0806     0.9947     0.9454     0.0493
 82   0     0.9221     1.0000     0.0779     0.9855     0.9328     0.0527
 83   0     0.9496     1.0000     0.0504     0.9872     0.9336     0.0536
 84   0     0.9407     1.0000     0.0593     0.9953     0.9428     0.0525
 85   0     0.9315     1.0000     0.0685     0.9892     0.9355     0.0537
 86   0     0.9172     1.0000     0.0828     0.9822     0.9283     0.0539
 87   0     0.9303     1.0000     0.0697     0.9876     0.9348     0.0528
 88   0     0.9184     1.0000     0.0816     0.9813     0.9276     0.0537
 89   0     0.9174     1.0000     0.0826     0.9849     0.9328     0.0521
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.913995
                0             6               4            6                0.894411
                0             6               5            1                0.957935
                0             6               6            1                0.934671
                1             6               2            6                0.914526
                1             6               7            1                0.953002
                1             6               8            1                0.956498
                2             6               3            6                0.892443
                2             6               9            1                0.949284
                2             6              10            1                0.954346
                3             6               4            6                0.902065
                3             6              11            1                0.945598
                3             6              12            1                0.963489
                4             6              13            1                0.930091
                4             6              14            1                0.969816
               15             6              16            6                0.930799
               15             6              19            6                0.922258
               15             6              20            1                0.947073
               15             6              21            1                0.953896
               16             6              17            6                0.892879
               16             6              22            1                0.953672
               16             6              23            1                0.948613
               17             6              18            6                0.908251
               17             6              24            1                0.943499
               17             6              25            1                0.958511
               18             6              19            6                0.892250
               18             6              26            1                0.953318
               18             6              27            1                0.952096
               19             6              28            1                0.960951
               19             6              29            1                0.963061
               30             6              31            6                0.905741
               30             6              34            6                0.907375
               30             6              35            1                0.945092
               30             6              36            1                0.948757
               31             6              32            6                0.916520
               31             6              37            1                0.952085
               31             6              38            1                0.946070
               32             6              33            6                0.913980
               32             6              39            1                0.946327
               32             6              40            1                0.955187
               33             6              34            6                0.894049
               33             6              41            1                0.951903
               33             6              42            1                0.954938
               34             6              43            1                0.944466
               34             6              44            1                0.949896
               45             6              46            6                0.889813
               45             6              49            6                0.913650
               45             6              50            1                0.947697
               45             6              51            1                0.946911
               46             6              47            6                0.915948
               46             6              52            1                0.947666
               46             6              53            1                0.949255
               47             6              48            6                0.910619
               47             6              54            1                0.953935
               47             6              55            1                0.944935
               48             6              49            6                0.898275
               48             6              56            1                0.954066
               48             6              57            1                0.949494
               49             6              58            1                0.954215
               49             6              59            1                0.951455
               60             6              61            6                0.914631
               60             6              64            6                0.933028
               60             6              65            1                0.954616
               60             6              66            1                0.951016
               61             6              62            6                0.904425
               61             6              67            1                0.954050
               61             6              68            1                0.940642
               62             6              63            6                0.888706
               62             6              69            1                0.958601
               62             6              70            1                0.948675
               63             6              64            6                0.918838
               63             6              71            1                0.950265
               63             6              72            1                0.953375
               64             6              73            1                0.945188
               64             6              74            1                0.952767
               75             6              76            6                0.909527
               75             6              79            6                0.931449
               75             6              80            1                0.941981
               75             6              81            1                0.955807
               76             6              77            6                0.880773
               76             6              82            1                0.959911
               76             6              83            1                0.959461
               77             6              78            6                0.896403
               77             6              84            1                0.965181
               77             6              85            1                0.956153
               78             6              79            6                0.932930
               78             6              86            1                0.951671
               78             6              87            1                0.953202
               79             6              88            1                0.954018
               79             6              89            1                0.950350
# -----------------------------------------------------------
$ 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     6.2660     6.0000    -0.2660     3.9931     3.6750     0.3181
  1   0     6.1740     6.0000    -0.1740     4.0018     3.6882     0.3136
  2   0     6.2218     6.0000    -0.2218     3.9731     3.6547     0.3184
  3   0     6.2368     6.0000    -0.2368     3.9860     3.6582     0.3278
  4   0     6.1641     6.0000    -0.1641     3.9610     3.6349     0.3261
  5   0     0.9014     1.0000     0.0986     0.9841     0.9340     0.0501
  6   0     0.8854     1.0000     0.1146     0.9759     0.9206     0.0553
  7   0     0.8809     1.0000     0.1191     0.9783     0.9289     0.0494
  8   0     0.9031     1.0000     0.0969     0.9878     0.9354     0.0524
  9   0     0.8855     1.0000     0.1145     0.9836     0.9330     0.0506
 10   0     0.9009     1.0000     0.0991     0.9845     0.9336     0.0509
 11   0     0.8846     1.0000     0.1154     0.9762     0.9253     0.0509
 12   0     0.8895     1.0000     0.1105     0.9810     0.9310     0.0500
 13   0     0.8757     1.0000     0.1243     0.9741     0.9195     0.0546
 14   0     0.9356     1.0000     0.0644     1.0242     0.9702     0.0540
 15   0     6.1862     6.0000    -0.1862     4.0282     3.7228     0.3054
 16   0     6.1793     6.0000    -0.1793     3.9766     3.6671     0.3095
 17   0     6.2310     6.0000    -0.2310     3.9928     3.6668     0.3260
 18   0     6.2281     6.0000    -0.2281     3.9725     3.6550     0.3175
 19   0     6.2488     6.0000    -0.2488     4.0000     3.6835     0.3165
 20   0     0.8875     1.0000     0.1125     0.9794     0.9303     0.0491
 21   0     0.8918     1.0000     0.1082     0.9833     0.9361     0.0472
 22   0     0.8944     1.0000     0.1056     0.9766     0.9267     0.0499
 23   0     0.8863     1.0000     0.1137     0.9807     0.9301     0.0506
 24   0     0.8845     1.0000     0.1155     0.9744     0.9230     0.0514
 25   0     0.9240     1.0000     0.0760     0.9880     0.9322     0.0558
 26   0     0.8898     1.0000     0.1102     0.9797     0.9309     0.0488
 27   0     0.8888     1.0000     0.1112     0.9753     0.9244     0.0509
 28   0     0.8950     1.0000     0.1050     0.9725     0.9189     0.0536
 29   0     0.8800     1.0000     0.1200     0.9796     0.9335     0.0461
 30   0     6.2229     6.0000    -0.2229     3.9773     3.6534     0.3239
 31   0     6.2146     6.0000    -0.2146     3.9820     3.6622     0.3198
 32   0     6.2270     6.0000    -0.2270     4.0026     3.6842     0.3184
 33   0     6.1975     6.0000    -0.1975     3.9749     3.6581     0.3168
 34   0     6.2919     6.0000    -0.2919     3.9806     3.6570     0.3236
 35   0     0.8728     1.0000     0.1272     0.9685     0.9184     0.0501
 36   0     0.8906     1.0000     0.1094     0.9742     0.9213     0.0529
 37   0     0.8883     1.0000     0.1117     0.9751     0.9236     0.0515
 38   0     0.8780     1.0000     0.1220     0.9729     0.9218     0.0511
 39   0     0.8830     1.0000     0.1170     0.9703     0.9176     0.0527
 40   0     0.8768     1.0000     0.1232     0.9788     0.9300     0.0488
 41   0     0.8888     1.0000     0.1112     0.9779     0.9271     0.0508
 42   0     0.8894     1.0000     0.1106     0.9848     0.9343     0.0505
 43   0     0.8727     1.0000     0.1273     0.9681     0.9170     0.0511
 44   0     0.9003     1.0000     0.0997     0.9733     0.9191     0.0542
 45   0     6.2262     6.0000    -0.2262     3.9766     3.6554     0.3212
 46   0     6.2216     6.0000    -0.2216     3.9891     3.6638     0.3253
 47   0     6.2632     6.0000    -0.2632     4.0172     3.6896     0.3276
 48   0     6.1592     6.0000    -0.1592     3.9492     3.6382     0.3110
 49   0     6.2536     6.0000    -0.2536     4.0069     3.6797     0.3272
 50   0     0.8706     1.0000     0.1294     0.9744     0.9253     0.0491
 51   0     0.9083     1.0000     0.0917     0.9813     0.9294     0.0519
 52   0     0.8849     1.0000     0.1151     0.9751     0.9211     0.0540
 53   0     0.8794     1.0000     0.1206     0.9781     0.9268     0.0513
 54   0     0.8902     1.0000     0.1098     0.9768     0.9239     0.0529
 55   0     0.8750     1.0000     0.1250     0.9722     0.9199     0.0523
 56   0     0.8919     1.0000     0.1081     0.9794     0.9287     0.0507
 57   0     0.8934     1.0000     0.1066     0.9765     0.9242     0.0523
 58   0     0.8816     1.0000     0.1184     0.9831     0.9315     0.0516
 59   0     0.9031     1.0000     0.0969     0.9832     0.9292     0.0540
 60   0     6.2021     6.0000    -0.2021     4.0244     3.7145     0.3099
 61   0     6.2123     6.0000    -0.2123     3.9834     3.6638     0.3196
 62   0     6.2429     6.0000    -0.2429     3.9596     3.6388     0.3208
 63   0     6.1767     6.0000    -0.1767     3.9590     3.6470     0.3120
 64   0     6.2022     6.0000    -0.2022     4.0298     3.7209     0.3089
 65   0     0.8857     1.0000     0.1143     0.9790     0.9318     0.0472
 66   0     0.8955     1.0000     0.1045     0.9804     0.9297     0.0507
 67   0     0.8996     1.0000     0.1004     0.9885     0.9392     0.0493
 68   0     0.8878     1.0000     0.1122     0.9817     0.9310     0.0507
 69   0     0.9095     1.0000     0.0905     0.9806     0.9256     0.0550
 70   0     0.8948     1.0000     0.1052     0.9780     0.9283     0.0497
 71   0     0.9160     1.0000     0.0840     0.9858     0.9297     0.0561
 72   0     0.8904     1.0000     0.1096     0.9790     0.9297     0.0493
 73   0     0.8817     1.0000     0.1183     0.9784     0.9317     0.0467
 74   0     0.9056     1.0000     0.0944     0.9807     0.9274     0.0533
 75   0     6.1809     6.0000    -0.1809     4.0070     3.6967     0.3103
 76   0     6.2714     6.0000    -0.2714     4.0078     3.6909     0.3169
 77   0     6.1508     6.0000    -0.1508     3.9256     3.6165     0.3091
 78   0     6.2062     6.0000    -0.2062     3.9982     3.6846     0.3136
 79   0     6.2080     6.0000    -0.2080     4.0188     3.7121     0.3067
 80   0     0.8860     1.0000     0.1140     0.9764     0.9247     0.0517
 81   0     0.8940     1.0000     0.1060     0.9864     0.9382     0.0482
 82   0     0.8926     1.0000     0.1074     0.9767     0.9253     0.0514
 83   0     0.9198     1.0000     0.0802     0.9879     0.9358     0.0521
 84   0     0.9121     1.0000     0.0879     0.9881     0.9369     0.0512
 85   0     0.8967     1.0000     0.1033     0.9784     0.9262     0.0522
 86   0     0.8933     1.0000     0.1067     0.9754     0.9225     0.0529
 87   0     0.9032     1.0000     0.0968     0.9835     0.9320     0.0515
 88   0     0.8936     1.0000     0.1064     0.9742     0.9215     0.0527
 89   0     0.8910     1.0000     0.1090     0.9775     0.9265     0.0510
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.921917
                0             6               4            6                0.910847
                0             6               5            1                0.948393
                0             6               6            1                0.915820
                1             6               2            6                0.919929
                1             6               7            1                0.936725
                1             6               8            1                0.943794
                2             6               3            6                0.896265
                2             6               9            1                0.934621
                2             6              10            1                0.944731
                3             6               4            6                0.904791
                3             6              11            1                0.928343
                3             6              12            1                0.954790
                4             6              13            1                0.915658
                4             6              14            1                0.959788
               15             6              16            6                0.940588
               15             6              19            6                0.926461
               15             6              20            1                0.935911
               15             6              21            1                0.940535
               16             6              17            6                0.904617
               16             6              22            1                0.940278
               16             6              23            1                0.932810
               17             6              18            6                0.914613
               17             6              24            1                0.926527
               17             6              25            1                0.945850
               18             6              19            6                0.901205
               18             6              26            1                0.943313
               18             6              27            1                0.938148
               19             6              28            1                0.943176
               19             6              29            1                0.950907
               30             6              31            6                0.909647
               30             6              34            6                0.917989
               30             6              35            1                0.932161
               30             6              36            1                0.933401
               31             6              32            6                0.924258
               31             6              37            1                0.935292
               31             6              38            1                0.934394
               32             6              33            6                0.924474
               32             6              39            1                0.930078
               32             6              40            1                0.941762
               33             6              34            6                0.901484
               33             6              41            1                0.936256
               33             6              42            1                0.943000
               34             6              43            1                0.929083
               34             6              44            1                0.938730
               45             6              46            6                0.910245
               45             6              49            6                0.918984
               45             6              50            1                0.934336
               45             6              51            1                0.936562
               46             6              47            6                0.920444
               46             6              52            1                0.930991
               46             6              53            1                0.934929
               47             6              48            6                0.925543
               47             6              54            1                0.936949
               47             6              55            1                0.931331
               48             6              49            6                0.908596
               48             6              56            1                0.939208
               48             6              57            1                0.935806
               49             6              58            1                0.938078
               49             6              59            1                0.930913
               60             6              61            6                0.925022
               60             6              64            6                0.942259
               60             6              65            1                0.943041
               60             6              66            1                0.935996
               61             6              62            6                0.903022
               61             6              67            1                0.942924
               61             6              68            1                0.928972
               62             6              63            6                0.902458
               62             6              69            1                0.944063
               62             6              70            1                0.935875
               63             6              64            6                0.928007
               63             6              71            1                0.928814
               63             6              72            1                0.942323
               64             6              73            1                0.936104
               64             6              74            1                0.933998
               75             6              76            6                0.914980
               75             6              79            6                0.945036
               75             6              80            1                0.928525
               75             6              81            1                0.944882
               76             6              77            6                0.893093
               76             6              82            1                0.942229
               76             6              83            1                0.945210
               77             6              78            6                0.900272
               77             6              84            1                0.951275
               77             6              85            1                0.942702
               78             6              79            6                0.938195
               78             6              86            1                0.936405
               78             6              87            1                0.938960
               79             6              88            1                0.936756
               79             6              89            1                0.936400
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1830793599
        Correlation Energy:       -5.0815185514
        Total MP2 Energy:      -1176.2645979113
# -----------------------------------------------------------
$ 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) :        0.3200684667
        Electronic Contribution:
                  0    
      0      -0.566913
      1       0.695204
      2      -0.532708
        Nuclear Contribution:
                  0    
      0       0.650705
      1      -0.690872
      2       0.626604
        Total Dipole moment:
                  0    
      0       0.083792
      1       0.004333
      2       0.093896
# -----------------------------------------------------------
$ 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) :        0.3224148009
        Electronic Contribution:
                  0    
      0      -0.565723
      1       0.694469
      2      -0.532504
        Nuclear Contribution:
                  0    
      0       0.650705
      1      -0.690872
      2       0.626604
        Total Dipole moment:
                  0    
      0       0.084981
      1       0.003598
      2       0.094101
# -----------------------------------------------------------
$ 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) :        0.3586676780
        Electronic Contribution:
                  0    
      0      -0.544895
      1       0.657528
      2      -0.539404
        Nuclear Contribution:
                  0    
      0       0.650705
      1      -0.690872
      2       0.626604
        Total Dipole moment:
                  0    
      0       0.105810
      1      -0.033343
      2       0.087200
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     15.720000000000   18.280000000000   20.900000000000
               1 C     15.100000000000   19.580000000000   20.370000000000
               2 C     13.560000000000   19.530000000000   20.580000000000
               3 C     13.190000000000   18.050000000000   20.890000000000
               4 C     14.590000000000   17.300000000000   21.190000000000
               5 H     16.280000000000   18.490000000000   21.720000000000
               6 H     16.590000000000   17.840000000000   20.270000000000
               7 H     15.380000000000   19.720000000000   19.340000000000
               8 H     15.490000000000   20.430000000000   20.930000000000
               9 H     13.010000000000   19.850000000000   19.690000000000
              10 H     13.220000000000   19.980000000000   21.470000000000
              11 H     12.670000000000   17.530000000000   20.070000000000
              12 H     12.610000000000   18.070000000000   21.790000000000
              13 H     14.570000000000   16.270000000000   20.630000000000
              14 H     14.510000000000   17.140000000000   22.240000000000
              15 C     20.150000000000   22.450000000000   23.220000000000
              16 C     19.730000000000   21.920000000000   21.900000000000
              17 C     18.790000000000   20.720000000000   22.160000000000
              18 C     19.160000000000   20.170000000000   23.570000000000
              19 C     20.070000000000   21.240000000000   24.180000000000
              20 H     19.500000000000   23.230000000000   23.570000000000
              21 H     21.140000000000   22.770000000000   23.130000000000
              22 H     20.560000000000   21.510000000000   21.350000000000
              23 H     19.220000000000   22.640000000000   21.250000000000
              24 H     18.810000000000   19.950000000000   21.350000000000
              25 H     17.760000000000   21.100000000000   22.150000000000
              26 H     19.720000000000   19.270000000000   23.530000000000
              27 H     18.240000000000   20.000000000000   24.160000000000
              28 H     21.030000000000   20.690000000000   24.330000000000
              29 H     19.890000000000   21.480000000000   25.150000000000
              30 C     17.220000000000   17.260000000000   24.240000000000
              31 C     16.670000000000   15.840000000000   23.840000000000
              32 C     15.350000000000   15.680000000000   24.550000000000
              33 C     14.980000000000   17.080000000000   25.150000000000
              34 C     16.160000000000   18.040000000000   24.970000000000
              35 H     17.610000000000   17.730000000000   23.340000000000
              36 H     18.090000000000   17.070000000000   24.930000000000
              37 H     17.450000000000   15.110000000000   24.140000000000
              38 H     16.550000000000   15.730000000000   22.750000000000
              39 H     15.470000000000   14.860000000000   25.320000000000
              40 H     14.610000000000   15.270000000000   23.900000000000
              41 H     14.850000000000   16.930000000000   26.220000000000
              42 H     14.140000000000   17.610000000000   24.740000000000
              43 H     16.490000000000   18.510000000000   25.930000000000
              44 H     15.750000000000   18.860000000000   24.350000000000
              45 C     12.860000000000   20.940000000000   24.810000000000
              46 C     11.740000000000   20.050000000000   25.290000000000
              47 C     11.900000000000   20.020000000000   26.890000000000
              48 C     13.330000000000   20.490000000000   27.170000000000
              49 C     13.960000000000   21.020000000000   25.900000000000
              50 H     12.380000000000   21.900000000000   24.650000000000
              51 H     13.350000000000   20.490000000000   23.950000000000
              52 H     11.810000000000   19.010000000000   24.820000000000
              53 H     10.740000000000   20.440000000000   25.020000000000
              54 H     11.770000000000   18.980000000000   27.250000000000
              55 H     11.190000000000   20.560000000000   27.570000000000
              56 H     13.980000000000   19.690000000000   27.500000000000
              57 H     13.220000000000   21.300000000000   27.930000000000
              58 H     14.910000000000   20.500000000000   25.650000000000
              59 H     14.250000000000   22.110000000000   26.050000000000
              60 C      9.470000000000   23.000000000000   21.490000000000
              61 C     10.850000000000   22.800000000000   22.160000000000
              62 C     11.820000000000   22.730000000000   20.930000000000
              63 C     11.020000000000   22.380000000000   19.730000000000
              64 C      9.560000000000   22.590000000000   20.020000000000
              65 H      9.180000000000   24.000000000000   21.580000000000
              66 H      8.760000000000   22.350000000000   21.990000000000
              67 H     11.010000000000   21.870000000000   22.650000000000
              68 H     11.190000000000   23.670000000000   22.730000000000
              69 H     12.540000000000   21.930000000000   21.170000000000
              70 H     12.430000000000   23.590000000000   20.770000000000
              71 H     11.330000000000   21.290000000000   19.580000000000
              72 H     11.350000000000   22.960000000000   18.890000000000
              73 H      8.990000000000   21.760000000000   19.720000000000
              74 H      9.380000000000   23.520000000000   19.430000000000
              75 C     16.590000000000   24.590000000000   22.160000000000
              76 C     16.380000000000   23.310000000000   23.070000000000
              77 C     15.070000000000   23.520000000000   23.720000000000
              78 C     14.510000000000   24.900000000000   23.340000000000
              79 C     15.520000000000   25.560000000000   22.510000000000
              80 H     16.520000000000   24.240000000000   21.100000000000
              81 H     17.500000000000   25.020000000000   22.420000000000
              82 H     17.190000000000   23.120000000000   23.760000000000
              83 H     16.400000000000   22.370000000000   22.630000000000
              84 H     15.050000000000   23.510000000000   24.780000000000
              85 H     14.350000000000   22.750000000000   23.450000000000
              86 H     14.290000000000   25.480000000000   24.290000000000
              87 H     13.590000000000   24.750000000000   22.800000000000
              88 H     15.880000000000   26.430000000000   23.120000000000
              89 H     15.110000000000   25.990000000000   21.590000000000
