-------------------------------------------------------------
----------------------- !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:    -1171.2312284365
# -----------------------------------------------------------
$ 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     6.1495     6.0000    -0.1495     3.8873     3.8873     0.0000
  1   0     6.1716     6.0000    -0.1716     3.8911     3.8911     0.0000
  2   0     6.1617     6.0000    -0.1617     3.8776     3.8776     0.0000
  3   0     6.1557     6.0000    -0.1557     3.8826     3.8826     0.0000
  4   0     6.1629     6.0000    -0.1629     3.8951     3.8951     0.0000
  5   0     0.9112     1.0000     0.0888     0.9792     0.9792    -0.0000
  6   0     0.9339     1.0000     0.0661     0.9867     0.9867    -0.0000
  7   0     0.9253     1.0000     0.0747     0.9761     0.9761     0.0000
  8   0     0.9108     1.0000     0.0892     0.9747     0.9747     0.0000
  9   0     0.9240     1.0000     0.0760     0.9751     0.9751     0.0000
 10   0     0.9180     1.0000     0.0820     0.9758     0.9758     0.0000
 11   0     0.9109     1.0000     0.0891     0.9785     0.9785    -0.0000
 12   0     0.9237     1.0000     0.0763     0.9757     0.9757    -0.0000
 13   0     0.9217     1.0000     0.0783     0.9780     0.9780     0.0000
 14   0     0.9191     1.0000     0.0809     0.9746     0.9746     0.0000
 15   0     6.2175     6.0000    -0.2175     3.8952     3.8952     0.0000
 16   0     6.1685     6.0000    -0.1685     3.8848     3.8848    -0.0000
 17   0     6.1276     6.0000    -0.1276     3.8482     3.8482     0.0000
 18   0     6.1579     6.0000    -0.1579     3.9060     3.9060    -0.0000
 19   0     6.1655     6.0000    -0.1655     3.8727     3.8727     0.0000
 20   0     0.9050     1.0000     0.0950     0.9750     0.9750    -0.0000
 21   0     0.9226     1.0000     0.0774     0.9717     0.9717     0.0000
 22   0     0.9122     1.0000     0.0878     0.9727     0.9727     0.0000
 23   0     0.9095     1.0000     0.0905     0.9735     0.9735     0.0000
 24   0     0.9265     1.0000     0.0735     0.9941     0.9941    -0.0000
 25   0     0.9340     1.0000     0.0660     0.9957     0.9957     0.0000
 26   0     0.9314     1.0000     0.0686     0.9814     0.9814    -0.0000
 27   0     0.9024     1.0000     0.0976     0.9736     0.9736     0.0000
 28   0     0.9061     1.0000     0.0939     0.9709     0.9709     0.0000
 29   0     0.9074     1.0000     0.0926     0.9703     0.9703    -0.0000
 30   0     6.1534     6.0000    -0.1534     3.9032     3.9032    -0.0000
 31   0     6.1557     6.0000    -0.1557     3.9034     3.9034    -0.0000
 32   0     6.1792     6.0000    -0.1792     3.8922     3.8922     0.0000
 33   0     6.1367     6.0000    -0.1367     3.8968     3.8968     0.0000
 34   0     6.1855     6.0000    -0.1855     3.8939     3.8939    -0.0000
 35   0     0.9097     1.0000     0.0903     0.9760     0.9760     0.0000
 36   0     0.9136     1.0000     0.0864     0.9758     0.9758     0.0000
 37   0     0.9115     1.0000     0.0885     0.9756     0.9756    -0.0000
 38   0     0.9189     1.0000     0.0811     0.9801     0.9801    -0.0000
 39   0     0.9164     1.0000     0.0836     0.9757     0.9757    -0.0000
 40   0     0.9238     1.0000     0.0762     0.9749     0.9749    -0.0000
 41   0     0.9238     1.0000     0.0762     0.9810     0.9810    -0.0000
 42   0     0.9112     1.0000     0.0888     0.9729     0.9729     0.0000
 43   0     0.9191     1.0000     0.0809     0.9739     0.9739    -0.0000
 44   0     0.9470     1.0000     0.0530     0.9954     0.9954    -0.0000
 45   0     6.1168     6.0000    -0.1168     3.9195     3.9195     0.0000
 46   0     6.1463     6.0000    -0.1463     3.8897     3.8897    -0.0000
 47   0     6.1768     6.0000    -0.1768     3.9328     3.9328     0.0000
 48   0     6.1676     6.0000    -0.1676     3.8737     3.8737     0.0000
 49   0     6.1621     6.0000    -0.1621     3.9348     3.9348    -0.0000
 50   0     0.9438     1.0000     0.0562     0.9849     0.9849     0.0000
 51   0     0.9071     1.0000     0.0929     0.9828     0.9828     0.0000
 52   0     0.9201     1.0000     0.0799     0.9829     0.9829     0.0000
 53   0     0.9251     1.0000     0.0749     0.9789     0.9789     0.0000
 54   0     0.9239     1.0000     0.0761     0.9806     0.9806     0.0000
 55   0     0.9303     1.0000     0.0697     0.9796     0.9796    -0.0000
 56   0     0.9230     1.0000     0.0770     0.9803     0.9803    -0.0000
 57   0     0.9233     1.0000     0.0767     0.9749     0.9749    -0.0000
 58   0     0.9028     1.0000     0.0972     0.9733     0.9733    -0.0000
 59   0     0.9307     1.0000     0.0693     0.9786     0.9786    -0.0000
 60   0     6.1877     6.0000    -0.1877     3.8827     3.8827    -0.0000
 61   0     6.1554     6.0000    -0.1554     3.8990     3.8990    -0.0000
 62   0     6.1485     6.0000    -0.1485     3.9084     3.9084     0.0000
 63   0     6.1742     6.0000    -0.1742     3.9012     3.9012    -0.0000
 64   0     6.1470     6.0000    -0.1470     3.8804     3.8804    -0.0000
 65   0     0.9244     1.0000     0.0756     0.9716     0.9716     0.0000
 66   0     0.9062     1.0000     0.0938     0.9744     0.9744    -0.0000
 67   0     0.9142     1.0000     0.0858     0.9789     0.9789     0.0000
 68   0     0.9171     1.0000     0.0829     0.9744     0.9744     0.0000
 69   0     0.9337     1.0000     0.0663     0.9792     0.9792     0.0000
 70   0     0.9100     1.0000     0.0900     0.9794     0.9794     0.0000
 71   0     0.9350     1.0000     0.0650     0.9836     0.9836    -0.0000
 72   0     0.9076     1.0000     0.0924     0.9715     0.9715    -0.0000
 73   0     0.9160     1.0000     0.0840     0.9749     0.9749    -0.0000
 74   0     0.9213     1.0000     0.0787     0.9768     0.9768    -0.0000
 75   0     6.1523     6.0000    -0.1523     3.8814     3.8814     0.0000
 76   0     6.2018     6.0000    -0.2018     3.8767     3.8767    -0.0000
 77   0     6.0918     6.0000    -0.0918     3.8721     3.8721     0.0000
 78   0     6.1937     6.0000    -0.1937     3.8983     3.8983    -0.0000
 79   0     6.1481     6.0000    -0.1481     3.8981     3.8981     0.0000
 80   0     0.9118     1.0000     0.0882     0.9800     0.9800     0.0000
 81   0     0.9238     1.0000     0.0762     0.9765     0.9765     0.0000
 82   0     0.9240     1.0000     0.0760     0.9758     0.9758    -0.0000
 83   0     0.9134     1.0000     0.0866     0.9761     0.9761    -0.0000
 84   0     0.9579     1.0000     0.0421     0.9998     0.9998     0.0000
 85   0     0.9134     1.0000     0.0866     0.9826     0.9826     0.0000
 86   0     0.9216     1.0000     0.0784     0.9710     0.9710    -0.0000
 87   0     0.9129     1.0000     0.0871     0.9798     0.9798    -0.0000
 88   0     0.9239     1.0000     0.0761     0.9791     0.9791    -0.0000
 89   0     0.9119     1.0000     0.0881     0.9754     0.9754    -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                0.970287
                0             6               4            6                0.959704
                0             6               5            1                0.985437
                0             6               6            1                1.002473
                1             6               2            6                0.964560
                1             6               7            1                0.996987
                1             6               8            1                0.983171
                2             6               3            6                0.961048
                2             6               9            1                0.996130
                2             6              10            1                0.995147
                3             6               4            6                0.972890
                3             6              11            1                0.988067
                3             6              12            1                0.990265
                4             6              13            1                0.998152
                4             6              14            1                0.991327
               15             6              16            6                0.973359
               15             6              19            6                0.965007
               15             6              20            1                0.987714
               15             6              21            1                0.996274
               16             6              17            6                0.949232
               16             6              22            1                0.994830
               16             6              23            1                0.991094
               17             6              18            6                0.965350
               17             6              24            1                0.994903
               17             6              25            1                0.993238
               18             6              19            6                0.971947
               18             6              26            1                1.000239
               18             6              27            1                0.986778
               19             6              28            1                0.986931
               19             6              29            1                0.987124
               30             6              31            6                0.984301
               30             6              34            6                0.961870
               30             6              35            1                0.995346
               30             6              36            1                0.987768
               31             6              32            6                0.974415
               31             6              37            1                0.983416
               31             6              38            1                0.991502
               32             6              33            6                0.974208
               32             6              39            1                0.986888
               32             6              40            1                0.994116
               33             6              34            6                0.976470
               33             6              41            1                0.991673
               33             6              42            1                0.986994
               34             6              43            1                0.991356
               34             6              44            1                0.990826
               45             6              46            6                0.967686
               45             6              49            6                0.995071
               45             6              50            1                0.992402
               45             6              51            1                0.985089
               46             6              47            6                0.983701
               46             6              52            1                0.988913
               46             6              53            1                0.986808
               47             6              48            6                0.964634
               47             6              54            1                0.991396
               47             6              55            1                0.997326
               48             6              49            6                0.970842
               48             6              56            1                0.994484
               48             6              57            1                0.989626
               49             6              58            1                0.982454
               49             6              59            1                0.996516
               60             6              61            6                0.969113
               60             6              64            6                0.960817
               60             6              65            1                0.999560
               60             6              66            1                0.990058
               61             6              62            6                0.974579
               61             6              67            1                0.987955
               61             6              68            1                0.989269
               62             6              63            6                0.979405
               62             6              69            1                0.994196
               62             6              70            1                0.986076
               63             6              64            6                0.964931
               63             6              71            1                1.001451
               63             6              72            1                0.983560
               64             6              73            1                0.993348
               64             6              74            1                0.991703
               75             6              76            6                0.952469
               75             6              79            6                0.986148
               75             6              80            1                0.982538
               75             6              81            1                0.992711
               76             6              77            6                0.965921
               76             6              82            1                0.996576
               76             6              83            1                0.985280
               77             6              78            6                0.962902
               77             6              84            1                1.004714
               77             6              85            1                0.987554
               78             6              79            6                0.972352
               78             6              86            1                0.994907
               78             6              87            1                0.989770
               79             6              88            1                0.990744
               79             6              89            1                0.980094
# -----------------------------------------------------------
$ 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     6.1571     6.0000    -0.1571     3.9953     3.6768     0.3185
  1   0     6.1793     6.0000    -0.1793     4.0000     3.6772     0.3228
  2   0     6.1694     6.0000    -0.1694     3.9861     3.6701     0.3160
  3   0     6.1630     6.0000    -0.1630     3.9896     3.6725     0.3171
  4   0     6.1704     6.0000    -0.1704     4.0030     3.6875     0.3155
  5   0     0.9075     1.0000     0.0925     0.9883     0.9370     0.0513
  6   0     0.9300     1.0000     0.0700     0.9964     0.9435     0.0529
  7   0     0.9214     1.0000     0.0786     0.9857     0.9336     0.0521
  8   0     0.9071     1.0000     0.0929     0.9841     0.9310     0.0531
  9   0     0.9203     1.0000     0.0797     0.9849     0.9330     0.0519
 10   0     0.9142     1.0000     0.0858     0.9853     0.9354     0.0499
 11   0     0.9073     1.0000     0.0927     0.9877     0.9372     0.0505
 12   0     0.9199     1.0000     0.0801     0.9852     0.9309     0.0543
 13   0     0.9179     1.0000     0.0821     0.9877     0.9374     0.0503
 14   0     0.9153     1.0000     0.0847     0.9843     0.9324     0.0519
 15   0     6.2242     6.0000    -0.2242     4.0075     3.6793     0.3282
 16   0     6.1771     6.0000    -0.1771     3.9977     3.6681     0.3296
 17   0     6.1342     6.0000    -0.1342     3.9562     3.6311     0.3251
 18   0     6.1667     6.0000    -0.1667     4.0175     3.6885     0.3290
 19   0     6.1739     6.0000    -0.1739     3.9856     3.6586     0.3270
 20   0     0.9012     1.0000     0.0988     0.9841     0.9303     0.0538
 21   0     0.9188     1.0000     0.0812     0.9816     0.9267     0.0549
 22   0     0.9083     1.0000     0.0917     0.9821     0.9295     0.0526
 23   0     0.9057     1.0000     0.0943     0.9828     0.9298     0.0530
 24   0     0.9223     1.0000     0.0777     1.0035     0.9541     0.0494
 25   0     0.9309     1.0000     0.0691     1.0070     0.9539     0.0531
 26   0     0.9271     1.0000     0.0729     0.9910     0.9391     0.0519
 27   0     0.8983     1.0000     0.1017     0.9822     0.9310     0.0512
 28   0     0.9020     1.0000     0.0980     0.9799     0.9271     0.0528
 29   0     0.9034     1.0000     0.0966     0.9795     0.9278     0.0517
 30   0     6.1617     6.0000    -0.1617     4.0134     3.6870     0.3264
 31   0     6.1632     6.0000    -0.1632     4.0117     3.6874     0.3243
 32   0     6.1874     6.0000    -0.1874     4.0041     3.6787     0.3254
 33   0     6.1444     6.0000    -0.1444     4.0043     3.6881     0.3162
 34   0     6.1924     6.0000    -0.1924     4.0044     3.6795     0.3249
 35   0     0.9058     1.0000     0.0942     0.9850     0.9347     0.0503
 36   0     0.9098     1.0000     0.0902     0.9851     0.9304     0.0547
 37   0     0.9077     1.0000     0.0923     0.9848     0.9343     0.0505
 38   0     0.9150     1.0000     0.0850     0.9894     0.9365     0.0529
 39   0     0.9125     1.0000     0.0875     0.9851     0.9307     0.0544
 40   0     0.9199     1.0000     0.0801     0.9846     0.9316     0.0530
 41   0     0.9198     1.0000     0.0802     0.9905     0.9396     0.0509
 42   0     0.9071     1.0000     0.0929     0.9820     0.9326     0.0494
 43   0     0.9150     1.0000     0.0850     0.9832     0.9297     0.0535
 44   0     0.9434     1.0000     0.0566     1.0064     0.9529     0.0535
 45   0     6.1240     6.0000    -0.1240     4.0229     3.7117     0.3112
 46   0     6.1543     6.0000    -0.1543     3.9980     3.6774     0.3206
 47   0     6.1851     6.0000    -0.1851     4.0413     3.7223     0.3190
 48   0     6.1751     6.0000    -0.1751     3.9829     3.6667     0.3162
 49   0     6.1712     6.0000    -0.1712     4.0455     3.7240     0.3215
 50   0     0.9399     1.0000     0.0601     0.9952     0.9421     0.0531
 51   0     0.9030     1.0000     0.0970     0.9914     0.9439     0.0475
 52   0     0.9162     1.0000     0.0838     0.9923     0.9428     0.0495
 53   0     0.9211     1.0000     0.0789     0.9885     0.9335     0.0550
 54   0     0.9197     1.0000     0.0803     0.9899     0.9395     0.0504
 55   0     0.9262     1.0000     0.0738     0.9890     0.9363     0.0527
 56   0     0.9188     1.0000     0.0812     0.9897     0.9390     0.0507
 57   0     0.9195     1.0000     0.0805     0.9851     0.9324     0.0527
 58   0     0.8988     1.0000     0.1012     0.9820     0.9303     0.0517
 59   0     0.9268     1.0000     0.0732     0.9882     0.9348     0.0534
 60   0     6.1960     6.0000    -0.1960     3.9957     3.6727     0.3230
 61   0     6.1633     6.0000    -0.1633     4.0076     3.6877     0.3199
 62   0     6.1560     6.0000    -0.1560     4.0160     3.6930     0.3230
 63   0     6.1822     6.0000    -0.1822     4.0120     3.6873     0.3247
 64   0     6.1545     6.0000    -0.1545     3.9863     3.6766     0.3097
 65   0     0.9202     1.0000     0.0798     0.9812     0.9278     0.0534
 66   0     0.9024     1.0000     0.0976     0.9836     0.9326     0.0510
 67   0     0.9104     1.0000     0.0896     0.9882     0.9375     0.0507
 68   0     0.9131     1.0000     0.0869     0.9837     0.9314     0.0523
 69   0     0.9303     1.0000     0.0697     0.9898     0.9352     0.0546
 70   0     0.9061     1.0000     0.0939     0.9885     0.9365     0.0520
 71   0     0.9310     1.0000     0.0690     0.9936     0.9412     0.0524
 72   0     0.9037     1.0000     0.0963     0.9806     0.9294     0.0512
 73   0     0.9122     1.0000     0.0878     0.9842     0.9353     0.0489
 74   0     0.9172     1.0000     0.0828     0.9860     0.9352     0.0508
 75   0     6.1593     6.0000    -0.1593     3.9891     3.6655     0.3236
 76   0     6.2094     6.0000    -0.2094     3.9894     3.6612     0.3282
 77   0     6.1000     6.0000    -0.1000     3.9785     3.6556     0.3229
 78   0     6.2012     6.0000    -0.2012     4.0075     3.6865     0.3210
 79   0     6.1562     6.0000    -0.1562     4.0072     3.6841     0.3231
 80   0     0.9079     1.0000     0.0921     0.9891     0.9369     0.0522
 81   0     0.9200     1.0000     0.0800     0.9863     0.9306     0.0557
 82   0     0.9201     1.0000     0.0799     0.9855     0.9322     0.0533
 83   0     0.9096     1.0000     0.0904     0.9855     0.9345     0.0510
 84   0     0.9544     1.0000     0.0456     1.0109     0.9535     0.0574
 85   0     0.9094     1.0000     0.0906     0.9917     0.9416     0.0501
 86   0     0.9178     1.0000     0.0822     0.9807     0.9255     0.0552
 87   0     0.9091     1.0000     0.0909     0.9888     0.9367     0.0521
 88   0     0.9199     1.0000     0.0801     0.9886     0.9357     0.0529
 89   0     0.9081     1.0000     0.0919     0.9847     0.9306     0.0541
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.907596
                0             6               4            6                0.898342
                0             6               5            1                0.944833
                0             6               6            1                0.960271
                1             6               2            6                0.900697
                1             6               7            1                0.955478
                1             6               8            1                0.941035
                2             6               3            6                0.900212
                2             6               9            1                0.955257
                2             6              10            1                0.955877
                3             6               4            6                0.910470
                3             6              11            1                0.948296
                3             6              12            1                0.946833
                4             6              13            1                0.958645
                4             6              14            1                0.950369
               15             6              16            6                0.911097
               15             6              19            6                0.901738
               15             6              20            1                0.944640
               15             6              21            1                0.952514
               16             6              17            6                0.882603
               16             6              22            1                0.952672
               16             6              23            1                0.948771
               17             6              18            6                0.897052
               17             6              24            1                0.956151
               17             6              25            1                0.952510
               18             6              19            6                0.908478
               18             6              26            1                0.958753
               18             6              27            1                0.945696
               19             6              28            1                0.944602
               19             6              29            1                0.945802
               30             6              31            6                0.917565
               30             6              34            6                0.899712
               30             6              35            1                0.955185
               30             6              36            1                0.943883
               31             6              32            6                0.910956
               31             6              37            1                0.943620
               31             6              38            1                0.949309
               32             6              33            6                0.912406
               32             6              39            1                0.943722
               32             6              40            1                0.952017
               33             6              34            6                0.912189
               33             6              41            1                0.951504
               33             6              42            1                0.948074
               34             6              43            1                0.948058
               34             6              44            1                0.949694
               45             6              46            6                0.904558
               45             6              49            6                0.933354
               45             6              50            1                0.950930
               45             6              51            1                0.948119
               46             6              47            6                0.920218
               46             6              52            1                0.950370
               46             6              53            1                0.943156
               47             6              48            6                0.903420
               47             6              54            1                0.951747
               47             6              55            1                0.955231
               48             6              49            6                0.909783
               48             6              56            1                0.954410
               48             6              57            1                0.948312
               49             6              58            1                0.941287
               49             6              59            1                0.953972
               60             6              61            6                0.905052
               60             6              64            6                0.901315
               60             6              65            1                0.956540
               60             6              66            1                0.949714
               61             6              62            6                0.912873
               61             6              67            1                0.948203
               61             6              68            1                0.947592
               62             6              63            6                0.913471
               62             6              69            1                0.951452
               62             6              70            1                0.944740
               63             6              64            6                0.902519
               63             6              71            1                0.959916
               63             6              72            1                0.942911
               64             6              73            1                0.955017
               64             6              74            1                0.951529
               75             6              76            6                0.890235
               75             6              79            6                0.921814
               75             6              80            1                0.941243
               75             6              81            1                0.948180
               76             6              77            6                0.898790
               76             6              82            1                0.954046
               76             6              83            1                0.945177
               77             6              78            6                0.901396
               77             6              84            1                0.959509
               77             6              85            1                0.947948
               78             6              79            6                0.911451
               78             6              86            1                0.950689
               78             6              87            1                0.948376
               79             6              88            1                0.948778
               79             6              89            1                0.937182
# -----------------------------------------------------------
$ 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     6.2176     6.0000    -0.2176     3.9809     3.6662     0.3147
  1   0     6.2253     6.0000    -0.2253     3.9750     3.6563     0.3187
  2   0     6.2234     6.0000    -0.2234     3.9625     3.6504     0.3121
  3   0     6.2117     6.0000    -0.2117     3.9717     3.6588     0.3129
  4   0     6.2211     6.0000    -0.2211     3.9792     3.6676     0.3116
  5   0     0.8837     1.0000     0.1163     0.9802     0.9300     0.0502
  6   0     0.8968     1.0000     0.1032     0.9860     0.9344     0.0516
  7   0     0.8950     1.0000     0.1050     0.9787     0.9277     0.0510
  8   0     0.8848     1.0000     0.1152     0.9777     0.9255     0.0522
  9   0     0.8935     1.0000     0.1065     0.9780     0.9273     0.0507
 10   0     0.8882     1.0000     0.1118     0.9775     0.9287     0.0488
 11   0     0.8826     1.0000     0.1174     0.9835     0.9341     0.0494
 12   0     0.8956     1.0000     0.1044     0.9773     0.9240     0.0533
 13   0     0.8906     1.0000     0.1094     0.9801     0.9309     0.0492
 14   0     0.8898     1.0000     0.1102     0.9763     0.9254     0.0509
 15   0     6.2628     6.0000    -0.2628     3.9907     3.6673     0.3234
 16   0     6.2234     6.0000    -0.2234     3.9811     3.6559     0.3252
 17   0     6.2046     6.0000    -0.2046     3.9453     3.6241     0.3212
 18   0     6.2147     6.0000    -0.2147     3.9891     3.6644     0.3247
 19   0     6.2217     6.0000    -0.2217     3.9689     3.6462     0.3227
 20   0     0.8781     1.0000     0.1219     0.9759     0.9232     0.0527
 21   0     0.8924     1.0000     0.1076     0.9733     0.9196     0.0537
 22   0     0.8851     1.0000     0.1149     0.9750     0.9235     0.0515
 23   0     0.8828     1.0000     0.1172     0.9766     0.9247     0.0519
 24   0     0.8915     1.0000     0.1085     0.9960     0.9479     0.0481
 25   0     0.8979     1.0000     0.1021     0.9934     0.9417     0.0517
 26   0     0.9059     1.0000     0.0941     0.9938     0.9431     0.0507
 27   0     0.8754     1.0000     0.1246     0.9765     0.9264     0.0501
 28   0     0.8793     1.0000     0.1207     0.9736     0.9220     0.0516
 29   0     0.8796     1.0000     0.1204     0.9738     0.9233     0.0505
 30   0     6.2068     6.0000    -0.2068     3.9983     3.6763     0.3220
 31   0     6.2152     6.0000    -0.2152     3.9996     3.6792     0.3204
 32   0     6.2330     6.0000    -0.2330     3.9881     3.6672     0.3209
 33   0     6.1944     6.0000    -0.1944     3.9874     3.6753     0.3121
 34   0     6.2386     6.0000    -0.2386     3.9978     3.6774     0.3204
 35   0     0.8833     1.0000     0.1167     0.9775     0.9282     0.0493
 36   0     0.8880     1.0000     0.1120     0.9772     0.9235     0.0537
 37   0     0.8865     1.0000     0.1135     0.9778     0.9282     0.0496
 38   0     0.8906     1.0000     0.1094     0.9804     0.9285     0.0519
 39   0     0.8871     1.0000     0.1129     0.9759     0.9226     0.0533
 40   0     0.8945     1.0000     0.1055     0.9763     0.9243     0.0520
 41   0     0.8954     1.0000     0.1046     0.9812     0.9313     0.0499
 42   0     0.8848     1.0000     0.1152     0.9777     0.9295     0.0482
 43   0     0.8909     1.0000     0.1091     0.9750     0.9226     0.0524
 44   0     0.9160     1.0000     0.0840     1.0002     0.9480     0.0522
 45   0     6.1793     6.0000    -0.1793     4.0061     3.6989     0.3072
 46   0     6.1990     6.0000    -0.1990     3.9738     3.6573     0.3165
 47   0     6.2368     6.0000    -0.2368     4.0179     3.7031     0.3148
 48   0     6.2280     6.0000    -0.2280     3.9794     3.6676     0.3118
 49   0     6.2138     6.0000    -0.2138     4.0209     3.7037     0.3172
 50   0     0.9116     1.0000     0.0884     0.9905     0.9386     0.0519
 51   0     0.8826     1.0000     0.1174     0.9841     0.9376     0.0465
 52   0     0.8950     1.0000     0.1050     0.9856     0.9370     0.0486
 53   0     0.8958     1.0000     0.1042     0.9805     0.9267     0.0538
 54   0     0.8927     1.0000     0.1073     0.9822     0.9330     0.0492
 55   0     0.8993     1.0000     0.1007     0.9833     0.9318     0.0515
 56   0     0.8947     1.0000     0.1053     0.9811     0.9315     0.0496
 57   0     0.8918     1.0000     0.1082     0.9774     0.9259     0.0515
 58   0     0.8799     1.0000     0.1201     0.9750     0.9242     0.0508
 59   0     0.8995     1.0000     0.1005     0.9836     0.9315     0.0521
 60   0     6.2451     6.0000    -0.2451     3.9702     3.6514     0.3188
 61   0     6.2124     6.0000    -0.2124     3.9879     3.6721     0.3158
 62   0     6.2033     6.0000    -0.2033     3.9922     3.6734     0.3188
 63   0     6.2416     6.0000    -0.2416     3.9907     3.6699     0.3208
 64   0     6.2037     6.0000    -0.2037     3.9628     3.6571     0.3057
 65   0     0.8938     1.0000     0.1062     0.9720     0.9197     0.0523
 66   0     0.8781     1.0000     0.1219     0.9794     0.9296     0.0498
 67   0     0.8868     1.0000     0.1132     0.9843     0.9348     0.0495
 68   0     0.8903     1.0000     0.1097     0.9757     0.9244     0.0513
 69   0     0.9056     1.0000     0.0944     0.9910     0.9377     0.0533
 70   0     0.8841     1.0000     0.1159     0.9797     0.9287     0.0510
 71   0     0.8954     1.0000     0.1046     0.9833     0.9323     0.0510
 72   0     0.8811     1.0000     0.1189     0.9738     0.9236     0.0502
 73   0     0.8864     1.0000     0.1136     0.9792     0.9314     0.0478
 74   0     0.8912     1.0000     0.1088     0.9780     0.9283     0.0497
 75   0     6.2016     6.0000    -0.2016     3.9731     3.6541     0.3190
 76   0     6.2578     6.0000    -0.2578     3.9723     3.6484     0.3239
 77   0     6.1656     6.0000    -0.1656     3.9572     3.6380     0.3192
 78   0     6.2460     6.0000    -0.2460     3.9901     3.6738     0.3163
 79   0     6.2050     6.0000    -0.2050     3.9868     3.6680     0.3188
 80   0     0.8857     1.0000     0.1143     0.9819     0.9307     0.0512
 81   0     0.8977     1.0000     0.1023     0.9804     0.9257     0.0547
 82   0     0.8934     1.0000     0.1066     0.9792     0.9271     0.0521
 83   0     0.8858     1.0000     0.1142     0.9789     0.9289     0.0500
 84   0     0.9172     1.0000     0.0828     1.0030     0.9471     0.0559
 85   0     0.8872     1.0000     0.1128     0.9850     0.9359     0.0491
 86   0     0.8920     1.0000     0.1080     0.9747     0.9206     0.0541
 87   0     0.8853     1.0000     0.1147     0.9804     0.9293     0.0511
 88   0     0.8943     1.0000     0.1057     0.9802     0.9285     0.0517
 89   0     0.8869     1.0000     0.1131     0.9786     0.9255     0.0531
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.913170
                0             6               4            6                0.907482
                0             6               5            1                0.931252
                0             6               6            1                0.949245
                1             6               2            6                0.904651
                1             6               7            1                0.945497
                1             6               8            1                0.928328
                2             6               3            6                0.906406
                2             6               9            1                0.943878
                2             6              10            1                0.945248
                3             6               4            6                0.917152
                3             6              11            1                0.940217
                3             6              12            1                0.931239
                4             6              13            1                0.947876
                4             6              14            1                0.936405
               15             6              16            6                0.922322
               15             6              19            6                0.910849
               15             6              20            1                0.928950
               15             6              21            1                0.938292
               16             6              17            6                0.891252
               16             6              22            1                0.938201
               16             6              23            1                0.934825
               17             6              18            6                0.895638
               17             6              24            1                0.948527
               17             6              25            1                0.938791
               18             6              19            6                0.915338
               18             6              26            1                0.947077
               18             6              27            1                0.932533
               19             6              28            1                0.930110
               19             6              29            1                0.933678
               30             6              31            6                0.925320
               30             6              34            6                0.913299
               30             6              35            1                0.942897
               30             6              36            1                0.928784
               31             6              32            6                0.920428
               31             6              37            1                0.931508
               31             6              38            1                0.935766
               32             6              33            6                0.922385
               32             6              39            1                0.927673
               32             6              40            1                0.939157
               33             6              34            6                0.919558
               33             6              41            1                0.937925
               33             6              42            1                0.937015
               34             6              43            1                0.934639
               34             6              44            1                0.937136
               45             6              46            6                0.911704
               45             6              49            6                0.940185
               45             6              50            1                0.938041
               45             6              51            1                0.936560
               46             6              47            6                0.927386
               46             6              52            1                0.936455
               46             6              53            1                0.928737
               47             6              48            6                0.911807
               47             6              54            1                0.939002
               47             6              55            1                0.939831
               48             6              49            6                0.923456
               48             6              56            1                0.939678
               48             6              57            1                0.934937
               49             6              58            1                0.925409
               49             6              59            1                0.939096
               60             6              61            6                0.910701
               60             6              64            6                0.907258
               60             6              65            1                0.942119
               60             6              66            1                0.937703
               61             6              62            6                0.920801
               61             6              67            1                0.936253
               61             6              68            1                0.933832
               62             6              63            6                0.918556
               62             6              69            1                0.939313
               62             6              70            1                0.929587
               63             6              64            6                0.906778
               63             6              71            1                0.949264
               63             6              72            1                0.930603
               64             6              73            1                0.945121
               64             6              74            1                0.939147
               75             6              76            6                0.898580
               75             6              79            6                0.931715
               75             6              80            1                0.929511
               75             6              81            1                0.934194
               76             6              77            6                0.902392
               76             6              82            1                0.943823
               76             6              83            1                0.933809
               77             6              78            6                0.911446
               77             6              84            1                0.944626
               77             6              85            1                0.935563
               78             6              79            6                0.920866
               78             6              86            1                0.937409
               78             6              87            1                0.932721
               79             6              88            1                0.935634
               79             6              89            1                0.922410
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2312284365
        Correlation Energy:       -5.0618245934
        Total MP2 Energy:      -1176.2930530299
# -----------------------------------------------------------
$ 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) :        0.2862602081
        Electronic Contribution:
                  0    
      0       0.298742
      1      -0.237184
      2      -0.691353
        Nuclear Contribution:
                  0    
      0      -0.393636
      1       0.297235
      2       0.682838
        Total Dipole moment:
                  0    
      0      -0.094894
      1       0.060052
      2      -0.008515
# -----------------------------------------------------------
$ 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) :        0.2876832728
        Electronic Contribution:
                  0    
      0       0.298254
      1      -0.236625
      2      -0.689040
        Nuclear Contribution:
                  0    
      0      -0.393636
      1       0.297235
      2       0.682838
        Total Dipole moment:
                  0    
      0      -0.095382
      1       0.060611
      2      -0.006201
# -----------------------------------------------------------
$ 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) :        0.3113479587
        Electronic Contribution:
                  0    
      0       0.293869
      1      -0.232013
      2      -0.654612
        Nuclear Contribution:
                  0    
      0      -0.393636
      1       0.297235
      2       0.682838
        Total Dipole moment:
                  0    
      0      -0.099767
      1       0.065222
      2       0.028226
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     20.640000000000   17.930000000000   14.460000000000
               1 C     21.910000000000   18.640000000000   14.960000000000
               2 C     21.820000000000   18.640000000000   16.520000000000
               3 C     20.580000000000   17.930000000000   16.990000000000
               4 C     19.930000000000   17.390000000000   15.710000000000
               5 H     20.750000000000   17.150000000000   13.700000000000
               6 H     19.990000000000   18.680000000000   14.000000000000
               7 H     21.830000000000   19.670000000000   14.630000000000
               8 H     22.830000000000   18.170000000000   14.510000000000
               9 H     21.820000000000   19.670000000000   16.840000000000
              10 H     22.720000000000   18.210000000000   16.870000000000
              11 H     19.950000000000   18.590000000000   17.570000000000
              12 H     21.050000000000   17.110000000000   17.600000000000
              13 H     18.930000000000   17.680000000000   15.810000000000
              14 H     19.900000000000   16.300000000000   15.740000000000
              15 C     18.700000000000   21.740000000000   18.000000000000
              16 C     18.660000000000   23.250000000000   18.320000000000
              17 C     17.200000000000   23.780000000000   17.960000000000
              18 C     16.340000000000   22.490000000000   17.570000000000
              19 C     17.240000000000   21.250000000000   17.800000000000
              20 H     19.320000000000   21.170000000000   18.750000000000
              21 H     19.250000000000   21.540000000000   17.050000000000
              22 H     19.290000000000   23.900000000000   17.700000000000
              23 H     18.970000000000   23.440000000000   19.370000000000
              24 H     17.300000000000   24.490000000000   17.190000000000
              25 H     16.700000000000   24.180000000000   18.800000000000
              26 H     16.200000000000   22.650000000000   16.520000000000
              27 H     15.390000000000   22.380000000000   18.120000000000
              28 H     17.220000000000   20.550000000000   16.930000000000
              29 H     16.880000000000   20.720000000000   18.690000000000
              30 C     15.860000000000   21.500000000000   22.580000000000
              31 C     15.090000000000   22.390000000000   23.660000000000
              32 C     14.610000000000   23.590000000000   22.810000000000
              33 C     15.630000000000   23.780000000000   21.690000000000
              34 C     16.290000000000   22.400000000000   21.400000000000
              35 H     15.190000000000   20.740000000000   22.230000000000
              36 H     16.770000000000   21.030000000000   23.090000000000
              37 H     15.700000000000   22.730000000000   24.490000000000
              38 H     14.200000000000   21.820000000000   24.010000000000
              39 H     14.460000000000   24.540000000000   23.410000000000
              40 H     13.590000000000   23.360000000000   22.460000000000
              41 H     16.420000000000   24.410000000000   22.060000000000
              42 H     15.080000000000   24.190000000000   20.890000000000
              43 H     17.400000000000   22.530000000000   21.360000000000
              44 H     16.020000000000   22.060000000000   20.420000000000
              45 C     18.290000000000   29.520000000000   15.000000000000
              46 C     17.780000000000   28.700000000000   13.810000000000
              47 C     17.150000000000   27.470000000000   14.470000000000
              48 C     17.980000000000   27.190000000000   15.690000000000
              49 C     18.800000000000   28.450000000000   15.930000000000
              50 H     17.380000000000   29.970000000000   15.380000000000
              51 H     18.970000000000   30.210000000000   14.620000000000
              52 H     18.560000000000   28.400000000000   13.160000000000
              53 H     16.900000000000   29.210000000000   13.300000000000
              54 H     17.170000000000   26.590000000000   13.870000000000
              55 H     16.110000000000   27.690000000000   14.740000000000
              56 H     18.580000000000   26.320000000000   15.490000000000
              57 H     17.330000000000   26.970000000000   16.530000000000
              58 H     19.910000000000   28.350000000000   15.870000000000
              59 H     18.590000000000   28.870000000000   16.910000000000
              60 C     16.200000000000   29.740000000000   18.720000000000
              61 C     15.030000000000   29.870000000000   17.690000000000
              62 C     14.490000000000   28.450000000000   17.540000000000
              63 C     14.980000000000   27.720000000000   18.860000000000
              64 C     16.200000000000   28.430000000000   19.430000000000
              65 H     15.950000000000   30.470000000000   19.500000000000
              66 H     17.170000000000   30.070000000000   18.380000000000
              67 H     15.370000000000   30.330000000000   16.780000000000
              68 H     14.230000000000   30.490000000000   18.140000000000
              69 H     14.920000000000   27.970000000000   16.650000000000
              70 H     13.390000000000   28.330000000000   17.460000000000
              71 H     15.370000000000   26.760000000000   18.620000000000
              72 H     14.200000000000   27.560000000000   19.610000000000
              73 H     17.050000000000   27.840000000000   19.260000000000
              74 H     16.060000000000   28.600000000000   20.490000000000
              75 C     18.340000000000   22.070000000000   12.280000000000
              76 C     17.610000000000   21.040000000000   13.130000000000
              77 C     16.150000000000   21.670000000000   13.350000000000
              78 C     16.020000000000   22.970000000000   12.590000000000
              79 C     17.260000000000   23.060000000000   11.730000000000
              80 H     18.870000000000   21.580000000000   11.440000000000
              81 H     19.000000000000   22.530000000000   13.090000000000
              82 H     18.200000000000   20.970000000000   14.060000000000
              83 H     17.450000000000   20.070000000000   12.680000000000
              84 H     16.080000000000   21.990000000000   14.420000000000
              85 H     15.400000000000   20.960000000000   13.060000000000
              86 H     15.970000000000   23.810000000000   13.360000000000
              87 H     15.090000000000   23.000000000000   11.990000000000
              88 H     17.670000000000   24.070000000000   11.840000000000
              89 H     17.010000000000   22.830000000000   10.640000000000
