-------------------------------------------------------------
----------------------- !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:    -1171.2167069458
# -----------------------------------------------------------
$ 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     6.1437     6.0000    -0.1437     3.9084     3.9084     0.0000
  1   0     6.1531     6.0000    -0.1531     3.8904     3.8904     0.0000
  2   0     6.1782     6.0000    -0.1782     3.9177     3.9177    -0.0000
  3   0     6.1340     6.0000    -0.1340     3.8585     3.8585    -0.0000
  4   0     6.2138     6.0000    -0.2138     3.8984     3.8984     0.0000
  5   0     0.9151     1.0000     0.0849     0.9738     0.9738    -0.0000
  6   0     0.9129     1.0000     0.0871     0.9812     0.9812    -0.0000
  7   0     0.9207     1.0000     0.0793     0.9746     0.9746     0.0000
  8   0     0.9211     1.0000     0.0789     0.9771     0.9771    -0.0000
  9   0     0.9073     1.0000     0.0927     0.9733     0.9733    -0.0000
 10   0     0.9240     1.0000     0.0760     0.9768     0.9768     0.0000
 11   0     0.9359     1.0000     0.0641     0.9877     0.9877    -0.0000
 12   0     0.9190     1.0000     0.0810     0.9783     0.9783     0.0000
 13   0     0.8959     1.0000     0.1041     0.9718     0.9718    -0.0000
 14   0     0.9232     1.0000     0.0768     0.9742     0.9742    -0.0000
 15   0     6.1458     6.0000    -0.1458     3.9029     3.9029    -0.0000
 16   0     6.1897     6.0000    -0.1897     3.8872     3.8872    -0.0000
 17   0     6.1319     6.0000    -0.1319     3.8669     3.8669    -0.0000
 18   0     6.1897     6.0000    -0.1897     3.9014     3.9014    -0.0000
 19   0     6.1351     6.0000    -0.1351     3.8942     3.8942    -0.0000
 20   0     0.9154     1.0000     0.0846     0.9787     0.9787    -0.0000
 21   0     0.9118     1.0000     0.0882     0.9736     0.9736    -0.0000
 22   0     0.9002     1.0000     0.0998     0.9703     0.9703    -0.0000
 23   0     0.9150     1.0000     0.0850     0.9710     0.9710     0.0000
 24   0     0.9150     1.0000     0.0850     0.9748     0.9748    -0.0000
 25   0     0.9609     1.0000     0.0391     0.9817     0.9817    -0.0000
 26   0     0.9045     1.0000     0.0955     0.9768     0.9768     0.0000
 27   0     0.9470     1.0000     0.0530     0.9792     0.9792    -0.0000
 28   0     0.9027     1.0000     0.0973     0.9725     0.9725     0.0000
 29   0     0.9276     1.0000     0.0724     0.9859     0.9859     0.0000
 30   0     6.1578     6.0000    -0.1578     3.9372     3.9372     0.0000
 31   0     6.1632     6.0000    -0.1632     3.9252     3.9252    -0.0000
 32   0     6.1781     6.0000    -0.1781     3.8882     3.8882    -0.0000
 33   0     6.1712     6.0000    -0.1712     3.8936     3.8936    -0.0000
 34   0     6.1451     6.0000    -0.1451     3.8825     3.8825     0.0000
 35   0     0.9095     1.0000     0.0905     0.9750     0.9750     0.0000
 36   0     0.9110     1.0000     0.0890     0.9773     0.9773    -0.0000
 37   0     0.9013     1.0000     0.0987     0.9726     0.9726     0.0000
 38   0     0.9110     1.0000     0.0890     0.9794     0.9794     0.0000
 39   0     0.9479     1.0000     0.0521     0.9772     0.9772    -0.0000
 40   0     0.9085     1.0000     0.0915     0.9737     0.9737     0.0000
 41   0     0.9369     1.0000     0.0631     0.9769     0.9769    -0.0000
 42   0     0.9066     1.0000     0.0934     0.9758     0.9758    -0.0000
 43   0     0.9209     1.0000     0.0791     0.9742     0.9742    -0.0000
 44   0     0.9295     1.0000     0.0705     0.9733     0.9733    -0.0000
 45   0     6.1399     6.0000    -0.1399     3.9412     3.9412    -0.0000
 46   0     6.1596     6.0000    -0.1596     3.8958     3.8958    -0.0000
 47   0     6.1576     6.0000    -0.1576     3.8664     3.8664     0.0000
 48   0     6.0812     6.0000    -0.0812     3.8936     3.8936     0.0000
 49   0     6.2010     6.0000    -0.2010     3.9423     3.9423    -0.0000
 50   0     0.9135     1.0000     0.0865     0.9827     0.9827     0.0000
 51   0     0.9171     1.0000     0.0829     0.9752     0.9752     0.0000
 52   0     0.9163     1.0000     0.0837     0.9817     0.9817    -0.0000
 53   0     0.9189     1.0000     0.0811     0.9722     0.9722    -0.0000
 54   0     0.9421     1.0000     0.0579     0.9876     0.9876    -0.0000
 55   0     0.9250     1.0000     0.0750     0.9816     0.9816     0.0000
 56   0     0.9202     1.0000     0.0798     0.9759     0.9759     0.0000
 57   0     0.9992     1.0000     0.0008     1.0177     1.0177     0.0000
 58   0     0.9206     1.0000     0.0794     0.9753     0.9753     0.0000
 59   0     0.8970     1.0000     0.1030     0.9688     0.9688    -0.0000
 60   0     6.1849     6.0000    -0.1849     3.9118     3.9118    -0.0000
 61   0     6.0963     6.0000    -0.0963     3.8867     3.8867    -0.0000
 62   0     6.1741     6.0000    -0.1741     3.8996     3.8996    -0.0000
 63   0     6.1653     6.0000    -0.1653     3.8774     3.8774    -0.0000
 64   0     6.1288     6.0000    -0.1288     3.9216     3.9216    -0.0000
 65   0     0.9038     1.0000     0.0962     0.9769     0.9769    -0.0000
 66   0     0.9391     1.0000     0.0609     0.9792     0.9792     0.0000
 67   0     0.9776     1.0000     0.0224     0.9870     0.9870     0.0000
 68   0     0.9109     1.0000     0.0891     0.9741     0.9741    -0.0000
 69   0     0.9265     1.0000     0.0735     0.9762     0.9762    -0.0000
 70   0     0.9120     1.0000     0.0880     0.9782     0.9782    -0.0000
 71   0     0.9155     1.0000     0.0845     0.9742     0.9742     0.0000
 72   0     0.9252     1.0000     0.0748     0.9769     0.9769     0.0000
 73   0     0.9388     1.0000     0.0612     0.9761     0.9761    -0.0000
 74   0     0.9033     1.0000     0.0967     0.9773     0.9773     0.0000
 75   0     6.1389     6.0000    -0.1389     3.8713     3.8713    -0.0000
 76   0     6.1801     6.0000    -0.1801     3.8964     3.8964    -0.0000
 77   0     6.1653     6.0000    -0.1653     3.8923     3.8923     0.0000
 78   0     6.1593     6.0000    -0.1593     3.8676     3.8676     0.0000
 79   0     6.1815     6.0000    -0.1815     3.9085     3.9085     0.0000
 80   0     0.9245     1.0000     0.0755     0.9772     0.9772     0.0000
 81   0     0.9135     1.0000     0.0865     0.9766     0.9766     0.0000
 82   0     0.9185     1.0000     0.0815     0.9747     0.9747    -0.0000
 83   0     0.9128     1.0000     0.0872     0.9738     0.9738     0.0000
 84   0     0.9258     1.0000     0.0742     0.9749     0.9749     0.0000
 85   0     0.9094     1.0000     0.0906     0.9739     0.9739     0.0000
 86   0     0.9206     1.0000     0.0794     0.9821     0.9821     0.0000
 87   0     0.9234     1.0000     0.0766     0.9797     0.9797     0.0000
 88   0     0.9205     1.0000     0.0795     0.9784     0.9784     0.0000
 89   0     0.9059     1.0000     0.0941     0.9782     0.9782     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                0.976353
                0             6               4            6                0.977134
                0             6               5            1                0.992364
                0             6               6            1                0.990751
                1             6               2            6                0.970158
                1             6               7            1                0.991449
                1             6               8            1                0.999317
                2             6               3            6                0.972616
                2             6               9            1                0.984344
                2             6              10            1                1.006477
                3             6               4            6                0.958927
                3             6              11            1                0.988329
                3             6              12            1                0.991324
                4             6              13            1                0.985588
                4             6              14            1                0.999284
               15             6              16            6                0.968233
               15             6              19            6                0.980350
               15             6              20            1                0.998443
               15             6              21            1                0.985439
               16             6              17            6                0.961769
               16             6              22            1                0.982283
               16             6              23            1                1.000298
               17             6              18            6                0.975765
               17             6              24            1                0.985152
               17             6              25            1                0.990000
               18             6              19            6                0.959747
               18             6              26            1                0.990753
               18             6              27            1                1.007406
               19             6              28            1                0.980192
               19             6              29            1                1.000534
               30             6              31            6                0.987687
               30             6              34            6                0.984796
               30             6              35            1                0.994333
               30             6              36            1                0.982901
               31             6              32            6                0.966644
               31             6              37            1                0.994197
               31             6              38            1                0.994620
               32             6              33            6                0.983351
               32             6              39            1                0.996618
               32             6              40            1                0.984985
               33             6              34            6                0.963300
               33             6              41            1                0.993776
               33             6              42            1                0.983110
               34             6              43            1                0.991469
               34             6              44            1                0.996893
               45             6              46            6                0.986230
               45             6              49            6                0.989629
               45             6              50            1                0.993395
               45             6              51            1                0.993586
               46             6              47            6                0.950287
               46             6              52            1                0.998640
               46             6              53            1                0.990378
               47             6              48            6                0.955692
               47             6              54            1                0.997133
               47             6              55            1                0.997455
               48             6              49            6                0.984153
               48             6              56            1                0.996029
               48             6              57            1                0.993131
               49             6              58            1                0.995237
               49             6              59            1                0.986981
               60             6              61            6                0.972365
               60             6              64            6                0.977660
               60             6              65            1                0.977811
               60             6              66            1                1.002854
               61             6              62            6                0.975627
               61             6              67            1                0.999836
               61             6              68            1                0.982180
               62             6              63            6                0.964294
               62             6              69            1                0.997891
               62             6              70            1                0.991749
               63             6              64            6                0.974196
               63             6              71            1                0.991871
               63             6              72            1                0.994173
               64             6              73            1                0.996856
               64             6              74            1                0.990115
               75             6              76            6                0.967974
               75             6              79            6                0.969838
               75             6              80            1                0.994125
               75             6              81            1                0.990159
               76             6              77            6                0.975167
               76             6              82            1                0.993537
               76             6              83            1                0.982782
               77             6              78            6                0.962842
               77             6              84            1                1.000367
               77             6              85            1                0.986758
               78             6              79            6                0.966399
               78             6              86            1                0.991926
               78             6              87            1                0.991272
               79             6              88            1                0.992026
               79             6              89            1                0.990355
# -----------------------------------------------------------
$ 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     6.1511     6.0000    -0.1511     4.0163     3.6940     0.3223
  1   0     6.1611     6.0000    -0.1611     3.9991     3.6809     0.3182
  2   0     6.1857     6.0000    -0.1857     4.0266     3.7072     0.3194
  3   0     6.1417     6.0000    -0.1417     3.9686     3.6415     0.3271
  4   0     6.2222     6.0000    -0.2222     4.0153     3.6790     0.3363
  5   0     0.9113     1.0000     0.0887     0.9832     0.9299     0.0533
  6   0     0.9091     1.0000     0.0909     0.9903     0.9389     0.0514
  7   0     0.9169     1.0000     0.0831     0.9844     0.9327     0.0517
  8   0     0.9173     1.0000     0.0827     0.9865     0.9350     0.0515
  9   0     0.9035     1.0000     0.0965     0.9824     0.9310     0.0514
 10   0     0.9202     1.0000     0.0798     0.9866     0.9370     0.0496
 11   0     0.9318     1.0000     0.0682     0.9977     0.9433     0.0544
 12   0     0.9145     1.0000     0.0855     0.9869     0.9324     0.0545
 13   0     0.8920     1.0000     0.1080     0.9803     0.9322     0.0481
 14   0     0.9192     1.0000     0.0808     0.9837     0.9269     0.0568
 15   0     6.1541     6.0000    -0.1541     4.0114     3.6925     0.3189
 16   0     6.1978     6.0000    -0.1978     4.0007     3.6714     0.3293
 17   0     6.1393     6.0000    -0.1393     3.9741     3.6561     0.3180
 18   0     6.1975     6.0000    -0.1975     4.0141     3.6860     0.3281
 19   0     6.1434     6.0000    -0.1434     4.0031     3.6747     0.3284
 20   0     0.9112     1.0000     0.0888     0.9875     0.9374     0.0501
 21   0     0.9078     1.0000     0.0922     0.9828     0.9326     0.0502
 22   0     0.8961     1.0000     0.1039     0.9791     0.9271     0.0520
 23   0     0.9110     1.0000     0.0890     0.9805     0.9263     0.0542
 24   0     0.9110     1.0000     0.0890     0.9840     0.9332     0.0508
 25   0     0.9567     1.0000     0.0433     0.9926     0.9368     0.0558
 26   0     0.9003     1.0000     0.0997     0.9854     0.9363     0.0491
 27   0     0.9433     1.0000     0.0567     0.9904     0.9337     0.0567
 28   0     0.8988     1.0000     0.1012     0.9814     0.9289     0.0525
 29   0     0.9237     1.0000     0.0763     0.9955     0.9433     0.0522
 30   0     6.1653     6.0000    -0.1653     4.0445     3.7210     0.3235
 31   0     6.1710     6.0000    -0.1710     4.0350     3.7114     0.3236
 32   0     6.1846     6.0000    -0.1846     3.9980     3.6728     0.3252
 33   0     6.1795     6.0000    -0.1795     4.0064     3.6774     0.3290
 34   0     6.1539     6.0000    -0.1539     3.9924     3.6727     0.3197
 35   0     0.9055     1.0000     0.0945     0.9839     0.9321     0.0518
 36   0     0.9074     1.0000     0.0926     0.9867     0.9319     0.0548
 37   0     0.8977     1.0000     0.1023     0.9817     0.9299     0.0518
 38   0     0.9070     1.0000     0.0930     0.9883     0.9362     0.0521
 39   0     0.9443     1.0000     0.0557     0.9887     0.9304     0.0583
 40   0     0.9046     1.0000     0.0954     0.9828     0.9310     0.0518
 41   0     0.9329     1.0000     0.0671     0.9869     0.9309     0.0560
 42   0     0.9024     1.0000     0.0976     0.9845     0.9314     0.0531
 43   0     0.9169     1.0000     0.0831     0.9836     0.9302     0.0534
 44   0     0.9255     1.0000     0.0745     0.9832     0.9304     0.0528
 45   0     6.1476     6.0000    -0.1476     4.0466     3.7300     0.3166
 46   0     6.1674     6.0000    -0.1674     4.0045     3.6886     0.3159
 47   0     6.1658     6.0000    -0.1658     3.9788     3.6523     0.3265
 48   0     6.0887     6.0000    -0.0887     3.9983     3.6779     0.3204
 49   0     6.2094     6.0000    -0.2094     4.0540     3.7263     0.3277
 50   0     0.9097     1.0000     0.0903     0.9918     0.9415     0.0503
 51   0     0.9132     1.0000     0.0868     0.9846     0.9330     0.0516
 52   0     0.9121     1.0000     0.0879     0.9907     0.9410     0.0497
 53   0     0.9150     1.0000     0.0850     0.9819     0.9277     0.0542
 54   0     0.9373     1.0000     0.0627     0.9973     0.9429     0.0544
 55   0     0.9207     1.0000     0.0793     0.9910     0.9396     0.0514
 56   0     0.9166     1.0000     0.0834     0.9864     0.9327     0.0537
 57   0     0.9954     1.0000     0.0046     1.0307     0.9703     0.0604
 58   0     0.9164     1.0000     0.0836     0.9845     0.9316     0.0529
 59   0     0.8932     1.0000     0.1068     0.9776     0.9247     0.0529
 60   0     6.1931     6.0000    -0.1931     4.0235     3.6978     0.3257
 61   0     6.1035     6.0000    -0.1035     3.9910     3.6713     0.3197
 62   0     6.1814     6.0000    -0.1814     4.0083     3.6873     0.3210
 63   0     6.1735     6.0000    -0.1735     3.9872     3.6647     0.3225
 64   0     6.1359     6.0000    -0.1359     4.0256     3.7114     0.3142
 65   0     0.8996     1.0000     0.1004     0.9855     0.9345     0.0510
 66   0     0.9361     1.0000     0.0639     0.9906     0.9340     0.0566
 67   0     0.9753     1.0000     0.0247     1.0013     0.9430     0.0583
 68   0     0.9068     1.0000     0.0932     0.9832     0.9316     0.0516
 69   0     0.9225     1.0000     0.0775     0.9859     0.9331     0.0528
 70   0     0.9081     1.0000     0.0919     0.9873     0.9368     0.0505
 71   0     0.9116     1.0000     0.0884     0.9834     0.9312     0.0522
 72   0     0.9215     1.0000     0.0785     0.9869     0.9339     0.0530
 73   0     0.9350     1.0000     0.0650     0.9866     0.9294     0.0572
 74   0     0.8992     1.0000     0.1008     0.9860     0.9385     0.0475
 75   0     6.1464     6.0000    -0.1464     3.9799     3.6584     0.3215
 76   0     6.1878     6.0000    -0.1878     4.0063     3.6809     0.3254
 77   0     6.1727     6.0000    -0.1727     4.0012     3.6813     0.3199
 78   0     6.1666     6.0000    -0.1666     3.9777     3.6515     0.3262
 79   0     6.1890     6.0000    -0.1890     4.0181     3.6942     0.3239
 80   0     0.9208     1.0000     0.0792     0.9873     0.9345     0.0528
 81   0     0.9097     1.0000     0.0903     0.9859     0.9355     0.0504
 82   0     0.9148     1.0000     0.0852     0.9841     0.9322     0.0519
 83   0     0.9091     1.0000     0.0909     0.9831     0.9266     0.0565
 84   0     0.9220     1.0000     0.0780     0.9847     0.9316     0.0531
 85   0     0.9057     1.0000     0.0943     0.9831     0.9327     0.0504
 86   0     0.9168     1.0000     0.0832     0.9917     0.9391     0.0526
 87   0     0.9197     1.0000     0.0803     0.9896     0.9362     0.0534
 88   0     0.9168     1.0000     0.0832     0.9880     0.9349     0.0531
 89   0     0.9021     1.0000     0.0979     0.9871     0.9391     0.0480
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.916169
                0             6               4            6                0.909771
                0             6               5            1                0.949694
                0             6               6            1                0.950075
                1             6               2            6                0.905424
                1             6               7            1                0.950814
                1             6               8            1                0.958501
                2             6               3            6                0.910074
                2             6               9            1                0.943528
                2             6              10            1                0.967482
                3             6               4            6                0.895245
                3             6              11            1                0.945109
                3             6              12            1                0.946326
                4             6              13            1                0.947545
                4             6              14            1                0.952708
               15             6              16            6                0.904987
               15             6              19            6                0.916395
               15             6              20            1                0.958173
               15             6              21            1                0.945950
               16             6              17            6                0.898509
               16             6              22            1                0.940681
               16             6              23            1                0.956254
               17             6              18            6                0.915334
               17             6              24            1                0.944944
               17             6              25            1                0.946341
               18             6              19            6                0.891731
               18             6              26            1                0.951614
               18             6              27            1                0.962495
               19             6              28            1                0.938233
               19             6              29            1                0.958828
               30             6              31            6                0.922514
               30             6              34            6                0.923038
               30             6              35            1                0.952692
               30             6              36            1                0.939144
               31             6              32            6                0.905768
               31             6              37            1                0.952543
               31             6              38            1                0.952611
               32             6              33            6                0.919518
               32             6              39            1                0.950464
               32             6              40            1                0.943639
               33             6              34            6                0.901894
               33             6              41            1                0.949043
               33             6              42            1                0.940426
               34             6              43            1                0.948860
               34             6              44            1                0.955223
               45             6              46            6                0.925957
               45             6              49            6                0.923161
               45             6              50            1                0.953588
               45             6              51            1                0.952616
               46             6              47            6                0.888714
               46             6              52            1                0.959447
               46             6              53            1                0.947325
               47             6              48            6                0.892114
               47             6              54            1                0.953054
               47             6              55            1                0.956335
               48             6              49            6                0.923057
               48             6              56            1                0.953700
               48             6              57            1                0.947223
               49             6              58            1                0.952617
               49             6              59            1                0.944347
               60             6              61            6                0.907895
               60             6              64            6                0.917008
               60             6              65            1                0.937240
               60             6              66            1                0.958320
               61             6              62            6                0.911867
               61             6              67            1                0.956607
               61             6              68            1                0.941031
               62             6              63            6                0.900623
               62             6              69            1                0.955870
               62             6              70            1                0.951701
               63             6              64            6                0.911252
               63             6              71            1                0.950140
               63             6              72            1                0.952601
               64             6              73            1                0.951191
               64             6              74            1                0.952850
               75             6              76            6                0.904461
               75             6              79            6                0.904357
               75             6              80            1                0.952454
               75             6              81            1                0.950543
               76             6              77            6                0.913623
               76             6              82            1                0.952300
               76             6              83            1                0.937380
               77             6              78            6                0.898639
               77             6              84            1                0.958032
               77             6              85            1                0.947109
               78             6              79            6                0.901529
               78             6              86            1                0.950175
               78             6              87            1                0.948926
               79             6              88            1                0.949846
               79             6              89            1                0.952634
# -----------------------------------------------------------
$ 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     6.2030     6.0000    -0.2030     4.0039     3.6855     0.3184
  1   0     6.2150     6.0000    -0.2150     3.9829     3.6687     0.3142
  2   0     6.2309     6.0000    -0.2309     4.0016     3.6863     0.3153
  3   0     6.1981     6.0000    -0.1981     3.9688     3.6463     0.3225
  4   0     6.2698     6.0000    -0.2698     4.0062     3.6745     0.3317
  5   0     0.8888     1.0000     0.1112     0.9756     0.9232     0.0524
  6   0     0.8856     1.0000     0.1144     0.9815     0.9312     0.0503
  7   0     0.8919     1.0000     0.1081     0.9757     0.9250     0.0507
  8   0     0.8898     1.0000     0.1102     0.9760     0.9256     0.0504
  9   0     0.8811     1.0000     0.1189     0.9750     0.9246     0.0504
 10   0     0.8929     1.0000     0.1071     0.9774     0.9290     0.0484
 11   0     0.9048     1.0000     0.0952     0.9885     0.9354     0.0531
 12   0     0.8867     1.0000     0.1133     0.9778     0.9247     0.0531
 13   0     0.8702     1.0000     0.1298     0.9745     0.9274     0.0471
 14   0     0.8891     1.0000     0.1109     0.9725     0.9170     0.0555
 15   0     6.2136     6.0000    -0.2136     3.9958     3.6809     0.3149
 16   0     6.2449     6.0000    -0.2449     3.9791     3.6543     0.3248
 17   0     6.1923     6.0000    -0.1923     3.9501     3.6365     0.3136
 18   0     6.2474     6.0000    -0.2474     3.9881     3.6644     0.3237
 19   0     6.1984     6.0000    -0.1984     3.9809     3.6566     0.3243
 20   0     0.8819     1.0000     0.1181     0.9780     0.9291     0.0489
 21   0     0.8851     1.0000     0.1149     0.9765     0.9273     0.0492
 22   0     0.8768     1.0000     0.1232     0.9743     0.9233     0.0510
 23   0     0.8811     1.0000     0.1189     0.9747     0.9219     0.0528
 24   0     0.8857     1.0000     0.1143     0.9759     0.9262     0.0497
 25   0     0.9241     1.0000     0.0759     0.9905     0.9363     0.0542
 26   0     0.8770     1.0000     0.1230     0.9779     0.9299     0.0480
 27   0     0.9108     1.0000     0.0892     0.9857     0.9305     0.0552
 28   0     0.8806     1.0000     0.1194     0.9762     0.9247     0.0515
 29   0     0.8939     1.0000     0.1061     0.9895     0.9385     0.0510
 30   0     6.2073     6.0000    -0.2073     4.0293     3.7101     0.3192
 31   0     6.2183     6.0000    -0.2183     4.0359     3.7167     0.3192
 32   0     6.2404     6.0000    -0.2404     4.0008     3.6803     0.3205
 33   0     6.2247     6.0000    -0.2247     3.9837     3.6594     0.3243
 34   0     6.2079     6.0000    -0.2079     3.9779     3.6626     0.3153
 35   0     0.8860     1.0000     0.1140     0.9759     0.9250     0.0509
 36   0     0.8874     1.0000     0.1126     0.9809     0.9271     0.0538
 37   0     0.8759     1.0000     0.1241     0.9765     0.9258     0.0507
 38   0     0.8859     1.0000     0.1141     0.9782     0.9270     0.0512
 39   0     0.9085     1.0000     0.0915     0.9757     0.9191     0.0566
 40   0     0.8827     1.0000     0.1173     0.9748     0.9240     0.0508
 41   0     0.9037     1.0000     0.0963     0.9794     0.9248     0.0546
 42   0     0.8784     1.0000     0.1216     0.9753     0.9234     0.0519
 43   0     0.8898     1.0000     0.1102     0.9747     0.9225     0.0522
 44   0     0.8998     1.0000     0.1002     0.9744     0.9226     0.0518
 45   0     6.2021     6.0000    -0.2021     4.0300     3.7172     0.3128
 46   0     6.2110     6.0000    -0.2110     3.9800     3.6686     0.3114
 47   0     6.2364     6.0000    -0.2364     3.9673     3.6453     0.3220
 48   0     6.1547     6.0000    -0.1547     3.9882     3.6722     0.3160
 49   0     6.2467     6.0000    -0.2467     4.0353     3.7123     0.3230
 50   0     0.8857     1.0000     0.1143     0.9825     0.9332     0.0493
 51   0     0.8883     1.0000     0.1117     0.9765     0.9260     0.0505
 52   0     0.8870     1.0000     0.1130     0.9834     0.9349     0.0485
 53   0     0.8905     1.0000     0.1095     0.9771     0.9240     0.0531
 54   0     0.9021     1.0000     0.0979     0.9870     0.9343     0.0527
 55   0     0.8914     1.0000     0.1086     0.9823     0.9324     0.0499
 56   0     0.8918     1.0000     0.1082     0.9827     0.9304     0.0523
 57   0     0.9564     1.0000     0.0436     1.0236     0.9650     0.0586
 58   0     0.8908     1.0000     0.1092     0.9751     0.9234     0.0517
 59   0     0.8735     1.0000     0.1265     0.9732     0.9214     0.0518
 60   0     6.2465     6.0000    -0.2465     4.0115     3.6904     0.3211
 61   0     6.1651     6.0000    -0.1651     3.9747     3.6592     0.3155
 62   0     6.2285     6.0000    -0.2285     3.9781     3.6611     0.3170
 63   0     6.2229     6.0000    -0.2229     3.9651     3.6468     0.3183
 64   0     6.1827     6.0000    -0.1827     3.9977     3.6877     0.3100
 65   0     0.8796     1.0000     0.1204     0.9788     0.9288     0.0500
 66   0     0.9057     1.0000     0.0943     0.9896     0.9345     0.0551
 67   0     0.9431     1.0000     0.0569     1.0023     0.9456     0.0567
 68   0     0.8847     1.0000     0.1153     0.9762     0.9256     0.0506
 69   0     0.8944     1.0000     0.1056     0.9789     0.9274     0.0515
 70   0     0.8829     1.0000     0.1171     0.9791     0.9297     0.0494
 71   0     0.8867     1.0000     0.1133     0.9765     0.9254     0.0511
 72   0     0.8965     1.0000     0.1035     0.9782     0.9263     0.0519
 73   0     0.9061     1.0000     0.0939     0.9803     0.9244     0.0559
 74   0     0.8787     1.0000     0.1213     0.9807     0.9342     0.0465
 75   0     6.2002     6.0000    -0.2002     3.9642     3.6465     0.3177
 76   0     6.2297     6.0000    -0.2297     3.9854     3.6645     0.3209
 77   0     6.2302     6.0000    -0.2302     3.9847     3.6687     0.3160
 78   0     6.2156     6.0000    -0.2156     3.9648     3.6428     0.3220
 79   0     6.2378     6.0000    -0.2378     4.0011     3.6812     0.3199
 80   0     0.8953     1.0000     0.1047     0.9783     0.9265     0.0518
 81   0     0.8857     1.0000     0.1143     0.9784     0.9291     0.0493
 82   0     0.8903     1.0000     0.1097     0.9766     0.9257     0.0509
 83   0     0.8856     1.0000     0.1144     0.9753     0.9199     0.0554
 84   0     0.8936     1.0000     0.1064     0.9755     0.9236     0.0519
 85   0     0.8812     1.0000     0.1188     0.9755     0.9262     0.0493
 86   0     0.8902     1.0000     0.1098     0.9840     0.9326     0.0514
 87   0     0.8943     1.0000     0.1057     0.9817     0.9295     0.0522
 88   0     0.8911     1.0000     0.1089     0.9795     0.9275     0.0520
 89   0     0.8789     1.0000     0.1211     0.9798     0.9328     0.0470
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.929298
                0             6               4            6                0.914925
                0             6               5            1                0.935938
                0             6               6            1                0.936324
                1             6               2            6                0.909883
                1             6               7            1                0.936189
                1             6               8            1                0.944111
                2             6               3            6                0.917533
                2             6               9            1                0.929941
                2             6              10            1                0.955997
                3             6               4            6                0.910584
                3             6              11            1                0.931613
                3             6              12            1                0.934171
                4             6              13            1                0.937327
                4             6              14            1                0.936047
               15             6              16            6                0.912955
               15             6              19            6                0.920439
               15             6              20            1                0.947337
               15             6              21            1                0.932560
               16             6              17            6                0.900498
               16             6              22            1                0.925799
               16             6              23            1                0.945755
               17             6              18            6                0.920861
               17             6              24            1                0.932108
               17             6              25            1                0.932908
               18             6              19            6                0.894581
               18             6              26            1                0.938229
               18             6              27            1                0.949749
               19             6              28            1                0.922916
               19             6              29            1                0.949893
               30             6              31            6                0.933454
               30             6              34            6                0.936463
               30             6              35            1                0.936736
               30             6              36            1                0.924436
               31             6              32            6                0.928923
               31             6              37            1                0.937542
               31             6              38            1                0.935605
               32             6              33            6                0.926460
               32             6              39            1                0.931790
               32             6              40            1                0.931380
               33             6              34            6                0.910466
               33             6              41            1                0.936336
               33             6              42            1                0.923249
               34             6              43            1                0.932421
               34             6              44            1                0.939263
               45             6              46            6                0.939285
               45             6              49            6                0.926707
               45             6              50            1                0.937791
               45             6              51            1                0.939985
               46             6              47            6                0.897253
               46             6              52            1                0.945955
               46             6              53            1                0.927137
               47             6              48            6                0.899643
               47             6              54            1                0.937015
               47             6              55            1                0.939940
               48             6              49            6                0.938964
               48             6              56            1                0.938817
               48             6              57            1                0.932781
               49             6              58            1                0.937979
               49             6              59            1                0.928315
               60             6              61            6                0.915352
               60             6              64            6                0.922307
               60             6              65            1                0.922049
               60             6              66            1                0.948662
               61             6              62            6                0.917989
               61             6              67            1                0.947999
               61             6              68            1                0.925869
               62             6              63            6                0.903262
               62             6              69            1                0.943587
               62             6              70            1                0.938523
               63             6              64            6                0.920859
               63             6              71            1                0.939296
               63             6              72            1                0.935652
               64             6              73            1                0.937191
               64             6              74            1                0.939951
               75             6              76            6                0.913507
               75             6              79            6                0.910584
               75             6              80            1                0.939418
               75             6              81            1                0.939402
               76             6              77            6                0.920089
               76             6              82            1                0.941634
               76             6              83            1                0.921293
               77             6              78            6                0.907522
               77             6              84            1                0.945351
               77             6              85            1                0.935447
               78             6              79            6                0.907135
               78             6              86            1                0.939441
               78             6              87            1                0.938119
               79             6              88            1                0.937587
               79             6              89            1                0.943730
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2167069458
        Correlation Energy:       -5.0753537616
        Total MP2 Energy:      -1176.2920607073
# -----------------------------------------------------------
$ 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) :        0.1609019644
        Electronic Contribution:
                  0    
      0      -0.437513
      1      -0.210841
      2       0.462491
        Nuclear Contribution:
                  0    
      0       0.490037
      1       0.232968
      2      -0.490037
        Total Dipole moment:
                  0    
      0       0.052524
      1       0.022128
      2      -0.027546
# -----------------------------------------------------------
$ 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) :        0.1637145016
        Electronic Contribution:
                  0    
      0      -0.436703
      1      -0.211159
      2       0.461256
        Nuclear Contribution:
                  0    
      0       0.490037
      1       0.232968
      2      -0.490037
        Total Dipole moment:
                  0    
      0       0.053334
      1       0.021810
      2      -0.028781
# -----------------------------------------------------------
$ 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) :        0.1927431688
        Electronic Contribution:
                  0    
      0      -0.436630
      1      -0.216961
      2       0.438641
        Nuclear Contribution:
                  0    
      0       0.490037
      1       0.232968
      2      -0.490037
        Total Dipole moment:
                  0    
      0       0.053407
      1       0.016007
      2      -0.051396
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     22.220000000000   19.900000000000   15.310000000000
               1 C     21.590000000000   20.900000000000   14.380000000000
               2 C     20.140000000000   21.200000000000   14.920000000000
               3 C     19.770000000000   20.100000000000   15.920000000000
               4 C     20.970000000000   19.120000000000   16.000000000000
               5 H     22.840000000000   20.480000000000   16.040000000000
               6 H     22.890000000000   19.230000000000   14.770000000000
               7 H     21.570000000000   20.590000000000   13.340000000000
               8 H     22.110000000000   21.840000000000   14.310000000000
               9 H     19.410000000000   21.420000000000   14.130000000000
              10 H     20.200000000000   22.070000000000   15.470000000000
              11 H     18.900000000000   19.500000000000   15.580000000000
              12 H     19.580000000000   20.600000000000   16.940000000000
              13 H     20.880000000000   18.130000000000   15.700000000000
              14 H     21.180000000000   18.990000000000   17.120000000000
              15 C     13.150000000000   17.100000000000   18.250000000000
              16 C     13.800000000000   18.280000000000   19.030000000000
              17 C     14.680000000000   17.750000000000   20.190000000000
              18 C     14.790000000000   16.280000000000   19.970000000000
              19 C     13.850000000000   15.820000000000   18.730000000000
              20 H     13.340000000000   17.130000000000   17.200000000000
              21 H     12.090000000000   17.070000000000   18.440000000000
              22 H     13.120000000000   19.070000000000   19.420000000000
              23 H     14.490000000000   18.780000000000   18.320000000000
              24 H     14.300000000000   17.860000000000   21.190000000000
              25 H     15.650000000000   18.270000000000   20.190000000000
              26 H     14.700000000000   15.730000000000   20.870000000000
              27 H     15.810000000000   16.010000000000   19.660000000000
              28 H     13.100000000000   15.040000000000   19.040000000000
              29 H     14.510000000000   15.520000000000   17.930000000000
              30 C     15.290000000000   22.270000000000   19.540000000000
              31 C     16.500000000000   21.540000000000   20.260000000000
              32 C     17.570000000000   21.420000000000   19.190000000000
              33 C     16.910000000000   21.620000000000   17.800000000000
              34 C     15.700000000000   22.470000000000   18.100000000000
              35 H     15.140000000000   23.300000000000   19.890000000000
              36 H     14.300000000000   21.700000000000   19.540000000000
              37 H     16.240000000000   20.580000000000   20.710000000000
              38 H     16.860000000000   22.150000000000   21.110000000000
              39 H     18.010000000000   20.390000000000   19.140000000000
              40 H     18.460000000000   22.030000000000   19.370000000000
              41 H     16.520000000000   20.640000000000   17.400000000000
              42 H     17.520000000000   22.060000000000   16.960000000000
              43 H     14.960000000000   22.240000000000   17.310000000000
              44 H     15.950000000000   23.510000000000   17.880000000000
              45 C     17.820000000000   14.880000000000   16.340000000000
              46 C     18.340000000000   15.350000000000   17.670000000000
              47 C     18.040000000000   16.820000000000   17.780000000000
              48 C     16.880000000000   17.080000000000   16.800000000000
              49 C     16.730000000000   15.930000000000   15.870000000000
              50 H     17.390000000000   13.900000000000   16.340000000000
              51 H     18.680000000000   14.830000000000   15.680000000000
              52 H     19.380000000000   15.200000000000   17.800000000000
              53 H     17.840000000000   14.940000000000   18.580000000000
              54 H     18.960000000000   17.370000000000   17.460000000000
              55 H     17.750000000000   17.220000000000   18.720000000000
              56 H     17.070000000000   17.990000000000   16.240000000000
              57 H     15.920000000000   17.240000000000   17.370000000000
              58 H     17.050000000000   16.260000000000   14.870000000000
              59 H     15.710000000000   15.480000000000   15.710000000000
              60 C     19.830000000000   18.590000000000   20.420000000000
              61 C     18.660000000000   18.580000000000   21.440000000000
              62 C     18.640000000000   17.220000000000   22.190000000000
              63 C     19.980000000000   16.550000000000   21.840000000000
              64 C     20.670000000000   17.380000000000   20.750000000000
              65 H     20.420000000000   19.520000000000   20.360000000000
              66 H     19.350000000000   18.440000000000   19.440000000000
              67 H     17.760000000000   18.640000000000   20.890000000000
              68 H     18.680000000000   19.420000000000   22.150000000000
              69 H     17.860000000000   16.550000000000   21.830000000000
              70 H     18.430000000000   17.350000000000   23.240000000000
              71 H     19.840000000000   15.500000000000   21.530000000000
              72 H     20.480000000000   16.570000000000   22.810000000000
              73 H     20.580000000000   16.680000000000   19.860000000000
              74 H     21.660000000000   17.510000000000   21.040000000000
              75 C     13.130000000000   20.310000000000   12.310000000000
              76 C     14.420000000000   20.140000000000   11.450000000000
              77 C     15.120000000000   18.920000000000   12.040000000000
              78 C     14.500000000000   18.600000000000   13.450000000000
              79 C     13.180000000000   19.440000000000   13.640000000000
              80 H     12.290000000000   19.890000000000   11.760000000000
              81 H     12.920000000000   21.340000000000   12.510000000000
              82 H     15.050000000000   21.030000000000   11.540000000000
              83 H     14.140000000000   20.060000000000   10.310000000000
              84 H     16.160000000000   19.230000000000   12.150000000000
              85 H     15.170000000000   18.060000000000   11.400000000000
              86 H     15.280000000000   18.810000000000   14.190000000000
              87 H     14.230000000000   17.530000000000   13.470000000000
              88 H     13.310000000000   20.100000000000   14.520000000000
              89 H     12.360000000000   18.820000000000   13.810000000000
