-------------------------------------------------------------
----------------------- !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:    -1171.2167459771
# -----------------------------------------------------------
$ 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     6.1426     6.0000    -0.1426     3.9023     3.9023    -0.0000
  1   0     6.1019     6.0000    -0.1019     3.8904     3.8904     0.0000
  2   0     6.1729     6.0000    -0.1729     3.9112     3.9112    -0.0000
  3   0     6.1378     6.0000    -0.1378     3.8846     3.8846    -0.0000
  4   0     6.1889     6.0000    -0.1889     3.9005     3.9005    -0.0000
  5   0     0.9136     1.0000     0.0864     0.9745     0.9745    -0.0000
  6   0     0.9226     1.0000     0.0774     0.9795     0.9795    -0.0000
  7   0     0.9179     1.0000     0.0821     0.9752     0.9752     0.0000
  8   0     0.9694     1.0000     0.0306     0.9986     0.9986     0.0000
  9   0     0.9124     1.0000     0.0876     0.9771     0.9771    -0.0000
 10   0     0.9201     1.0000     0.0799     0.9752     0.9752     0.0000
 11   0     0.9228     1.0000     0.0772     0.9776     0.9776    -0.0000
 12   0     0.9416     1.0000     0.0584     0.9884     0.9884    -0.0000
 13   0     0.9176     1.0000     0.0824     0.9764     0.9764    -0.0000
 14   0     0.9230     1.0000     0.0770     0.9764     0.9764    -0.0000
 15   0     6.1570     6.0000    -0.1570     3.8890     3.8890     0.0000
 16   0     6.1424     6.0000    -0.1424     3.9021     3.9021     0.0000
 17   0     6.1758     6.0000    -0.1758     3.9076     3.9076    -0.0000
 18   0     6.1234     6.0000    -0.1234     3.8547     3.8547    -0.0000
 19   0     6.1873     6.0000    -0.1873     3.9081     3.9081    -0.0000
 20   0     0.9199     1.0000     0.0801     0.9754     0.9754     0.0000
 21   0     0.9161     1.0000     0.0839     0.9744     0.9744     0.0000
 22   0     0.9183     1.0000     0.0817     0.9781     0.9781     0.0000
 23   0     0.9151     1.0000     0.0849     0.9741     0.9741     0.0000
 24   0     0.9141     1.0000     0.0859     0.9744     0.9744    -0.0000
 25   0     0.9472     1.0000     0.0528     0.9825     0.9825    -0.0000
 26   0     0.9266     1.0000     0.0734     0.9795     0.9795    -0.0000
 27   0     0.9304     1.0000     0.0696     0.9802     0.9802    -0.0000
 28   0     0.9170     1.0000     0.0830     0.9751     0.9751    -0.0000
 29   0     0.9119     1.0000     0.0881     0.9729     0.9729     0.0000
 30   0     6.1525     6.0000    -0.1525     3.9087     3.9087    -0.0000
 31   0     6.1496     6.0000    -0.1496     3.9109     3.9109     0.0000
 32   0     6.1407     6.0000    -0.1407     3.8630     3.8630    -0.0000
 33   0     6.1815     6.0000    -0.1815     3.9099     3.9099     0.0000
 34   0     6.1599     6.0000    -0.1599     3.8993     3.8993    -0.0000
 35   0     0.9224     1.0000     0.0776     0.9785     0.9785     0.0000
 36   0     0.9181     1.0000     0.0819     0.9745     0.9745     0.0000
 37   0     0.9229     1.0000     0.0771     0.9793     0.9793     0.0000
 38   0     0.9154     1.0000     0.0846     0.9754     0.9754     0.0000
 39   0     0.9183     1.0000     0.0817     0.9737     0.9737    -0.0000
 40   0     0.9465     1.0000     0.0535     0.9854     0.9854    -0.0000
 41   0     0.9027     1.0000     0.0973     0.9756     0.9756     0.0000
 42   0     0.9268     1.0000     0.0732     0.9728     0.9728     0.0000
 43   0     0.9194     1.0000     0.0806     0.9770     0.9770     0.0000
 44   0     0.9205     1.0000     0.0795     0.9748     0.9748     0.0000
 45   0     6.1671     6.0000    -0.1671     3.8687     3.8687     0.0000
 46   0     6.1530     6.0000    -0.1530     3.8941     3.8941     0.0000
 47   0     6.1683     6.0000    -0.1683     3.9310     3.9310    -0.0000
 48   0     6.1497     6.0000    -0.1497     3.8817     3.8817    -0.0000
 49   0     6.2048     6.0000    -0.2048     3.8860     3.8860    -0.0000
 50   0     0.8973     1.0000     0.1027     0.9744     0.9744    -0.0000
 51   0     0.9267     1.0000     0.0733     0.9808     0.9808    -0.0000
 52   0     0.9169     1.0000     0.0831     0.9753     0.9753     0.0000
 53   0     0.9205     1.0000     0.0795     0.9755     0.9755    -0.0000
 54   0     0.9157     1.0000     0.0843     0.9715     0.9715     0.0000
 55   0     0.9093     1.0000     0.0907     0.9861     0.9861    -0.0000
 56   0     0.9483     1.0000     0.0517     0.9776     0.9776     0.0000
 57   0     0.8873     1.0000     0.1127     0.9665     0.9665    -0.0000
 58   0     0.9106     1.0000     0.0894     0.9664     0.9664    -0.0000
 59   0     0.9192     1.0000     0.0808     0.9806     0.9806    -0.0000
 60   0     6.1630     6.0000    -0.1630     3.9002     3.9002     0.0000
 61   0     6.1881     6.0000    -0.1881     3.9326     3.9326    -0.0000
 62   0     6.1038     6.0000    -0.1038     3.8528     3.8528    -0.0000
 63   0     6.1486     6.0000    -0.1486     3.8632     3.8632    -0.0000
 64   0     6.1923     6.0000    -0.1923     3.9081     3.9081     0.0000
 65   0     0.9266     1.0000     0.0734     0.9801     0.9801     0.0000
 66   0     0.9012     1.0000     0.0988     0.9742     0.9742    -0.0000
 67   0     0.9159     1.0000     0.0841     0.9739     0.9739    -0.0000
 68   0     0.9091     1.0000     0.0909     0.9735     0.9735    -0.0000
 69   0     0.9697     1.0000     0.0303     1.0169     1.0169    -0.0000
 70   0     0.9094     1.0000     0.0906     0.9733     0.9733    -0.0000
 71   0     0.9106     1.0000     0.0894     0.9786     0.9786    -0.0000
 72   0     0.9207     1.0000     0.0793     0.9825     0.9825    -0.0000
 73   0     0.9226     1.0000     0.0774     0.9730     0.9730     0.0000
 74   0     0.9199     1.0000     0.0801     0.9736     0.9736     0.0000
 75   0     6.1689     6.0000    -0.1689     3.8938     3.8938    -0.0000
 76   0     6.1432     6.0000    -0.1432     3.8510     3.8510    -0.0000
 77   0     6.1882     6.0000    -0.1882     3.8989     3.8989    -0.0000
 78   0     6.1068     6.0000    -0.1068     3.8737     3.8737     0.0000
 79   0     6.1847     6.0000    -0.1847     3.9192     3.9192    -0.0000
 80   0     0.9216     1.0000     0.0784     0.9738     0.9738    -0.0000
 81   0     0.9100     1.0000     0.0900     0.9752     0.9752    -0.0000
 82   0     0.9707     1.0000     0.0293     0.9972     0.9972    -0.0000
 83   0     0.8977     1.0000     0.1023     0.9728     0.9728    -0.0000
 84   0     0.9137     1.0000     0.0863     0.9746     0.9746    -0.0000
 85   0     0.9190     1.0000     0.0810     0.9762     0.9762    -0.0000
 86   0     0.9219     1.0000     0.0781     0.9774     0.9774     0.0000
 87   0     0.9184     1.0000     0.0816     0.9754     0.9754     0.0000
 88   0     0.9123     1.0000     0.0877     0.9736     0.9736    -0.0000
 89   0     0.9219     1.0000     0.0781     0.9776     0.9776    -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                0.977018
                0             6               4            6                0.969991
                0             6               5            1                0.989243
                0             6               6            1                0.993056
                1             6               2            6                0.970488
                1             6               7            1                0.989230
                1             6               8            1                0.996150
                2             6               3            6                0.965477
                2             6               9            1                0.990797
                2             6              10            1                0.999016
                3             6               4            6                0.969698
                3             6              11            1                0.990170
                3             6              12            1                0.996737
                4             6              13            1                0.992152
                4             6              14            1                0.992798
               15             6              16            6                0.973529
               15             6              19            6                0.971722
               15             6              20            1                0.993271
               15             6              21            1                0.992469
               16             6              17            6                0.973983
               16             6              22            1                0.990660
               16             6              23            1                0.992526
               17             6              18            6                0.962284
               17             6              24            1                0.988850
               17             6              25            1                1.002581
               18             6              19            6                0.961774
               18             6              26            1                0.993824
               18             6              27            1                0.994402
               19             6              28            1                0.996189
               19             6              29            1                0.991825
               30             6              31            6                0.985173
               30             6              34            6                0.971734
               30             6              35            1                0.994255
               30             6              36            1                0.995614
               31             6              32            6                0.965877
               31             6              37            1                0.991260
               31             6              38            1                0.991778
               32             6              33            6                0.971810
               32             6              39            1                0.990375
               32             6              40            1                0.986684
               33             6              34            6                0.976169
               33             6              41            1                0.987954
               33             6              42            1                0.996950
               34             6              43            1                0.990570
               34             6              44            1                0.995472
               45             6              46            6                0.959948
               45             6              49            6                0.958767
               45             6              50            1                0.981489
               45             6              51            1                0.999968
               46             6              47            6                0.979240
               46             6              52            1                1.003858
               46             6              53            1                0.993811
               47             6              48            6                0.984658
               47             6              54            1                0.994789
               47             6              55            1                0.984868
               48             6              49            6                0.970774
               48             6              56            1                0.999558
               48             6              57            1                0.968670
               49             6              58            1                0.987944
               49             6              59            1                0.988622
               60             6              61            6                0.972967
               60             6              64            6                0.975852
               60             6              65            1                0.999847
               60             6              66            1                0.986598
               61             6              62            6                0.975944
               61             6              67            1                0.995773
               61             6              68            1                0.990572
               62             6              63            6                0.954305
               62             6              69            1                1.001026
               62             6              70            1                0.980239
               63             6              64            6                0.974218
               63             6              71            1                0.987893
               63             6              72            1                0.991112
               64             6              73            1                0.991537
               64             6              74            1                0.997814
               75             6              76            6                0.956081
               75             6              79            6                0.976525
               75             6              80            1                0.996582
               75             6              81            1                0.992323
               76             6              77            6                0.962845
               76             6              82            1                1.000412
               76             6              83            1                0.980263
               77             6              78            6                0.959506
               77             6              84            1                0.998574
               77             6              85            1                0.992459
               78             6              79            6                0.978325
               78             6              86            1                0.992134
               78             6              87            1                0.994125
               79             6              88            1                0.988516
               79             6              89            1                0.995037
# -----------------------------------------------------------
$ 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     6.1506     6.0000    -0.1506     4.0097     3.6908     0.3189
  1   0     6.1098     6.0000    -0.1098     3.9950     3.6751     0.3199
  2   0     6.1808     6.0000    -0.1808     4.0207     3.7004     0.3203
  3   0     6.1447     6.0000    -0.1447     3.9904     3.6739     0.3165
  4   0     6.1960     6.0000    -0.1960     4.0095     3.6868     0.3227
  5   0     0.9098     1.0000     0.0902     0.9837     0.9316     0.0521
  6   0     0.9185     1.0000     0.0815     0.9889     0.9376     0.0513
  7   0     0.9139     1.0000     0.0861     0.9845     0.9325     0.0520
  8   0     0.9662     1.0000     0.0338     1.0103     0.9534     0.0569
  9   0     0.9085     1.0000     0.0915     0.9862     0.9334     0.0528
 10   0     0.9164     1.0000     0.0836     0.9850     0.9332     0.0518
 11   0     0.9189     1.0000     0.0811     0.9872     0.9347     0.0525
 12   0     0.9382     1.0000     0.0618     0.9995     0.9453     0.0542
 13   0     0.9136     1.0000     0.0864     0.9857     0.9332     0.0525
 14   0     0.9195     1.0000     0.0805     0.9866     0.9333     0.0533
 15   0     6.1644     6.0000    -0.1644     3.9961     3.6776     0.3185
 16   0     6.1503     6.0000    -0.1503     4.0093     3.6919     0.3174
 17   0     6.1836     6.0000    -0.1836     4.0174     3.6930     0.3244
 18   0     6.1299     6.0000    -0.1299     3.9590     3.6507     0.3083
 19   0     6.1956     6.0000    -0.1956     4.0192     3.6951     0.3241
 20   0     0.9161     1.0000     0.0839     0.9849     0.9312     0.0537
 21   0     0.9124     1.0000     0.0876     0.9839     0.9319     0.0520
 22   0     0.9144     1.0000     0.0856     0.9875     0.9345     0.0530
 23   0     0.9113     1.0000     0.0887     0.9834     0.9319     0.0515
 24   0     0.9103     1.0000     0.0897     0.9837     0.9314     0.0523
 25   0     0.9435     1.0000     0.0565     0.9932     0.9374     0.0558
 26   0     0.9227     1.0000     0.0773     0.9890     0.9383     0.0507
 27   0     0.9265     1.0000     0.0735     0.9901     0.9377     0.0524
 28   0     0.9132     1.0000     0.0868     0.9845     0.9317     0.0528
 29   0     0.9082     1.0000     0.0918     0.9822     0.9289     0.0533
 30   0     6.1602     6.0000    -0.1602     4.0153     3.7023     0.3130
 31   0     6.1572     6.0000    -0.1572     4.0182     3.7012     0.3170
 32   0     6.1485     6.0000    -0.1485     3.9731     3.6490     0.3241
 33   0     6.1889     6.0000    -0.1889     4.0185     3.6993     0.3192
 34   0     6.1680     6.0000    -0.1680     4.0077     3.6872     0.3205
 35   0     0.9186     1.0000     0.0814     0.9880     0.9350     0.0530
 36   0     0.9142     1.0000     0.0858     0.9839     0.9331     0.0508
 37   0     0.9188     1.0000     0.0812     0.9887     0.9372     0.0515
 38   0     0.9116     1.0000     0.0884     0.9849     0.9339     0.0510
 39   0     0.9141     1.0000     0.0859     0.9830     0.9311     0.0519
 40   0     0.9429     1.0000     0.0571     0.9966     0.9425     0.0541
 41   0     0.8989     1.0000     0.1011     0.9844     0.9347     0.0497
 42   0     0.9230     1.0000     0.0770     0.9826     0.9278     0.0548
 43   0     0.9156     1.0000     0.0844     0.9865     0.9321     0.0544
 44   0     0.9166     1.0000     0.0834     0.9842     0.9330     0.0512
 45   0     6.1746     6.0000    -0.1746     3.9813     3.6516     0.3297
 46   0     6.1624     6.0000    -0.1624     4.0087     3.6724     0.3363
 47   0     6.1756     6.0000    -0.1756     4.0393     3.7204     0.3189
 48   0     6.1583     6.0000    -0.1583     3.9965     3.6552     0.3413
 49   0     6.2115     6.0000    -0.2115     3.9978     3.6642     0.3336
 50   0     0.8935     1.0000     0.1065     0.9831     0.9308     0.0523
 51   0     0.9226     1.0000     0.0774     0.9905     0.9341     0.0564
 52   0     0.9127     1.0000     0.0873     0.9845     0.9310     0.0535
 53   0     0.9165     1.0000     0.0835     0.9854     0.9301     0.0553
 54   0     0.9118     1.0000     0.0882     0.9813     0.9300     0.0513
 55   0     0.9054     1.0000     0.0946     0.9950     0.9468     0.0482
 56   0     0.9444     1.0000     0.0556     0.9887     0.9300     0.0587
 57   0     0.8833     1.0000     0.1167     0.9747     0.9210     0.0537
 58   0     0.9068     1.0000     0.0932     0.9757     0.9178     0.0579
 59   0     0.9154     1.0000     0.0846     0.9902     0.9381     0.0521
 60   0     6.1700     6.0000    -0.1700     4.0079     3.6906     0.3173
 61   0     6.1960     6.0000    -0.1960     4.0421     3.7184     0.3237
 62   0     6.1114     6.0000    -0.1114     3.9609     3.6373     0.3236
 63   0     6.1558     6.0000    -0.1558     3.9728     3.6520     0.3208
 64   0     6.2010     6.0000    -0.2010     4.0207     3.6935     0.3272
 65   0     0.9229     1.0000     0.0771     0.9899     0.9394     0.0505
 66   0     0.8976     1.0000     0.1024     0.9832     0.9327     0.0505
 67   0     0.9121     1.0000     0.0879     0.9833     0.9317     0.0516
 68   0     0.9053     1.0000     0.0947     0.9827     0.9300     0.0527
 69   0     0.9657     1.0000     0.0343     1.0276     0.9755     0.0521
 70   0     0.9053     1.0000     0.0947     0.9825     0.9274     0.0551
 71   0     0.9066     1.0000     0.0934     0.9874     0.9370     0.0504
 72   0     0.9167     1.0000     0.0833     0.9920     0.9413     0.0507
 73   0     0.9187     1.0000     0.0813     0.9828     0.9293     0.0535
 74   0     0.9160     1.0000     0.0840     0.9831     0.9296     0.0535
 75   0     6.1766     6.0000    -0.1766     4.0040     3.6784     0.3256
 76   0     6.1497     6.0000    -0.1497     3.9597     3.6345     0.3252
 77   0     6.1974     6.0000    -0.1974     4.0125     3.6830     0.3295
 78   0     6.1145     6.0000    -0.1145     3.9786     3.6675     0.3111
 79   0     6.1923     6.0000    -0.1923     4.0279     3.7095     0.3184
 80   0     0.9178     1.0000     0.0822     0.9836     0.9285     0.0551
 81   0     0.9062     1.0000     0.0938     0.9844     0.9347     0.0497
 82   0     0.9673     1.0000     0.0327     1.0096     0.9504     0.0592
 83   0     0.8937     1.0000     0.1063     0.9814     0.9307     0.0507
 84   0     0.9098     1.0000     0.0902     0.9838     0.9292     0.0546
 85   0     0.9148     1.0000     0.0852     0.9856     0.9350     0.0506
 86   0     0.9179     1.0000     0.0821     0.9868     0.9359     0.0509
 87   0     0.9144     1.0000     0.0856     0.9848     0.9340     0.0508
 88   0     0.9086     1.0000     0.0914     0.9830     0.9319     0.0511
 89   0     0.9180     1.0000     0.0820     0.9871     0.9354     0.0517
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.913974
                0             6               4            6                0.906771
                0             6               5            1                0.947648
                0             6               6            1                0.952438
                1             6               2            6                0.906975
                1             6               7            1                0.947698
                1             6               8            1                0.952170
                2             6               3            6                0.904938
                2             6               9            1                0.948664
                2             6              10            1                0.958129
                3             6               4            6                0.906298
                3             6              11            1                0.948463
                3             6              12            1                0.954974
                4             6              13            1                0.950193
                4             6              14            1                0.950918
               15             6              16            6                0.914027
               15             6              19            6                0.907311
               15             6              20            1                0.950298
               15             6              21            1                0.951149
               16             6              17            6                0.909874
               16             6              22            1                0.948505
               16             6              23            1                0.951570
               17             6              18            6                0.901811
               17             6              24            1                0.947135
               17             6              25            1                0.958304
               18             6              19            6                0.902081
               18             6              26            1                0.953813
               18             6              27            1                0.953136
               19             6              28            1                0.953987
               19             6              29            1                0.949027
               30             6              31            6                0.926105
               30             6              34            6                0.909969
               30             6              35            1                0.952087
               30             6              36            1                0.955470
               31             6              32            6                0.899676
               31             6              37            1                0.950350
               31             6              38            1                0.951544
               32             6              33            6                0.910604
               32             6              39            1                0.948443
               32             6              40            1                0.945147
               33             6              34            6                0.913235
               33             6              41            1                0.948648
               33             6              42            1                0.952905
               34             6              43            1                0.947149
               34             6              44            1                0.954910
               45             6              46            6                0.895159
               45             6              49            6                0.897716
               45             6              50            1                0.939647
               45             6              51            1                0.954270
               46             6              47            6                0.913449
               46             6              52            1                0.960334
               46             6              53            1                0.949566
               47             6              48            6                0.921515
               47             6              54            1                0.954114
               47             6              55            1                0.947572
               48             6              49            6                0.901591
               48             6              56            1                0.952190
               48             6              57            1                0.925116
               49             6              58            1                0.940715
               49             6              59            1                0.947673
               60             6              61            6                0.909133
               60             6              64            6                0.913455
               60             6              65            1                0.960123
               60             6              66            1                0.946483
               61             6              62            6                0.912357
               61             6              67            1                0.954751
               61             6              68            1                0.948435
               62             6              63            6                0.890743
               62             6              69            1                0.960613
               62             6              70            1                0.935690
               63             6              64            6                0.909986
               63             6              71            1                0.947424
               63             6              72            1                0.951264
               64             6              73            1                0.949072
               64             6              74            1                0.954961
               75             6              76            6                0.892852
               75             6              79            6                0.910847
               75             6              80            1                0.952475
               75             6              81            1                0.953148
               76             6              77            6                0.898997
               76             6              82            1                0.954638
               76             6              83            1                0.939552
               77             6              78            6                0.895236
               77             6              84            1                0.954189
               77             6              85            1                0.952551
               78             6              79            6                0.919489
               78             6              86            1                0.952002
               78             6              87            1                0.953894
               79             6              88            1                0.948208
               79             6              89            1                0.953951
# -----------------------------------------------------------
$ 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     6.2006     6.0000    -0.2006     3.9841     3.6693     0.3148
  1   0     6.1724     6.0000    -0.1724     3.9728     3.6569     0.3159
  2   0     6.2290     6.0000    -0.2290     4.0014     3.6855     0.3159
  3   0     6.2022     6.0000    -0.2022     3.9727     3.6603     0.3124
  4   0     6.2412     6.0000    -0.2412     3.9866     3.6682     0.3184
  5   0     0.8853     1.0000     0.1147     0.9786     0.9276     0.0510
  6   0     0.8937     1.0000     0.1063     0.9811     0.9308     0.0503
  7   0     0.8904     1.0000     0.1096     0.9767     0.9257     0.0510
  8   0     0.9309     1.0000     0.0691     1.0054     0.9501     0.0553
  9   0     0.8855     1.0000     0.1145     0.9777     0.9259     0.0518
 10   0     0.8904     1.0000     0.1096     0.9820     0.9314     0.0506
 11   0     0.8930     1.0000     0.1070     0.9779     0.9264     0.0515
 12   0     0.9081     1.0000     0.0919     0.9963     0.9435     0.0528
 13   0     0.8880     1.0000     0.1120     0.9779     0.9266     0.0513
 14   0     0.8937     1.0000     0.1063     0.9810     0.9289     0.0521
 15   0     6.2152     6.0000    -0.2152     3.9845     3.6701     0.3144
 16   0     6.2016     6.0000    -0.2016     3.9948     3.6815     0.3133
 17   0     6.2359     6.0000    -0.2359     3.9937     3.6735     0.3202
 18   0     6.1866     6.0000    -0.1866     3.9549     3.6507     0.3042
 19   0     6.2399     6.0000    -0.2399     3.9998     3.6799     0.3199
 20   0     0.8913     1.0000     0.1087     0.9766     0.9239     0.0527
 21   0     0.8887     1.0000     0.1113     0.9759     0.9249     0.0510
 22   0     0.8896     1.0000     0.1104     0.9788     0.9268     0.0520
 23   0     0.8874     1.0000     0.1126     0.9766     0.9261     0.0505
 24   0     0.8857     1.0000     0.1143     0.9760     0.9247     0.0513
 25   0     0.9136     1.0000     0.0864     0.9906     0.9363     0.0543
 26   0     0.8958     1.0000     0.1042     0.9806     0.9310     0.0496
 27   0     0.8980     1.0000     0.1020     0.9814     0.9302     0.0512
 28   0     0.8887     1.0000     0.1113     0.9757     0.9239     0.0518
 29   0     0.8843     1.0000     0.1157     0.9743     0.9220     0.0523
 30   0     6.2129     6.0000    -0.2129     3.9986     3.6897     0.3089
 31   0     6.2070     6.0000    -0.2070     3.9987     3.6856     0.3131
 32   0     6.2118     6.0000    -0.2118     3.9740     3.6543     0.3197
 33   0     6.2299     6.0000    -0.2299     3.9971     3.6823     0.3148
 34   0     6.2163     6.0000    -0.2163     3.9887     3.6723     0.3164
 35   0     0.8917     1.0000     0.1083     0.9783     0.9264     0.0519
 36   0     0.8897     1.0000     0.1103     0.9756     0.9258     0.0498
 37   0     0.8916     1.0000     0.1084     0.9795     0.9291     0.0504
 38   0     0.8883     1.0000     0.1117     0.9786     0.9286     0.0500
 39   0     0.8889     1.0000     0.1111     0.9765     0.9258     0.0507
 40   0     0.9156     1.0000     0.0844     0.9915     0.9387     0.0528
 41   0     0.8756     1.0000     0.1244     0.9775     0.9289     0.0486
 42   0     0.8961     1.0000     0.1039     0.9741     0.9205     0.0536
 43   0     0.8917     1.0000     0.1083     0.9783     0.9249     0.0534
 44   0     0.8920     1.0000     0.1080     0.9763     0.9262     0.0501
 45   0     6.2225     6.0000    -0.2225     3.9754     3.6506     0.3248
 46   0     6.2139     6.0000    -0.2139     3.9763     3.6443     0.3320
 47   0     6.2273     6.0000    -0.2273     4.0174     3.7030     0.3144
 48   0     6.2102     6.0000    -0.2102     3.9767     3.6400     0.3367
 49   0     6.2480     6.0000    -0.2480     3.9827     3.6542     0.3285
 50   0     0.8735     1.0000     0.1265     0.9774     0.9261     0.0513
 51   0     0.8926     1.0000     0.1074     0.9813     0.9263     0.0550
 52   0     0.8890     1.0000     0.1110     0.9764     0.9241     0.0523
 53   0     0.8940     1.0000     0.1060     0.9874     0.9334     0.0540
 54   0     0.8856     1.0000     0.1144     0.9788     0.9287     0.0501
 55   0     0.8828     1.0000     0.1172     0.9868     0.9397     0.0471
 56   0     0.9131     1.0000     0.0869     0.9824     0.9253     0.0571
 57   0     0.8655     1.0000     0.1345     0.9710     0.9183     0.0527
 58   0     0.8846     1.0000     0.1154     0.9705     0.9137     0.0568
 59   0     0.8906     1.0000     0.1094     0.9810     0.9301     0.0509
 60   0     6.2228     6.0000    -0.2228     3.9962     3.6827     0.3135
 61   0     6.2362     6.0000    -0.2362     4.0251     3.7055     0.3196
 62   0     6.1760     6.0000    -0.1760     3.9656     3.6466     0.3190
 63   0     6.2063     6.0000    -0.2063     3.9572     3.6406     0.3166
 64   0     6.2448     6.0000    -0.2448     3.9990     3.6761     0.3229
 65   0     0.8951     1.0000     0.1049     0.9778     0.9284     0.0494
 66   0     0.8756     1.0000     0.1244     0.9752     0.9256     0.0496
 67   0     0.8872     1.0000     0.1128     0.9752     0.9247     0.0505
 68   0     0.8841     1.0000     0.1159     0.9749     0.9231     0.0518
 69   0     0.9345     1.0000     0.0655     1.0162     0.9653     0.0509
 70   0     0.8817     1.0000     0.1183     0.9738     0.9198     0.0540
 71   0     0.8823     1.0000     0.1177     0.9823     0.9331     0.0492
 72   0     0.8926     1.0000     0.1074     0.9834     0.9338     0.0496
 73   0     0.8937     1.0000     0.1063     0.9750     0.9225     0.0525
 74   0     0.8900     1.0000     0.1100     0.9743     0.9219     0.0524
 75   0     6.2226     6.0000    -0.2226     3.9841     3.6626     0.3215
 76   0     6.2047     6.0000    -0.2047     3.9541     3.6334     0.3207
 77   0     6.2468     6.0000    -0.2468     3.9885     3.6633     0.3252
 78   0     6.1688     6.0000    -0.1688     3.9613     3.6543     0.3070
 79   0     6.2424     6.0000    -0.2424     4.0068     3.6924     0.3144
 80   0     0.8925     1.0000     0.1075     0.9748     0.9208     0.0540
 81   0     0.8821     1.0000     0.1179     0.9769     0.9283     0.0486
 82   0     0.9328     1.0000     0.0672     1.0026     0.9449     0.0577
 83   0     0.8710     1.0000     0.1290     0.9747     0.9251     0.0496
 84   0     0.8803     1.0000     0.1197     0.9763     0.9231     0.0532
 85   0     0.8940     1.0000     0.1060     0.9807     0.9312     0.0495
 86   0     0.8925     1.0000     0.1075     0.9809     0.9311     0.0498
 87   0     0.8926     1.0000     0.1074     0.9799     0.9301     0.0498
 88   0     0.8837     1.0000     0.1163     0.9762     0.9261     0.0501
 89   0     0.8906     1.0000     0.1094     0.9768     0.9262     0.0506
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.918565
                0             6               4            6                0.912546
                0             6               5            1                0.936556
                0             6               6            1                0.939665
                1             6               2            6                0.914276
                1             6               7            1                0.933594
                1             6               8            1                0.938730
                2             6               3            6                0.916192
                2             6               9            1                0.931259
                2             6              10            1                0.947137
                3             6               4            6                0.909839
                3             6              11            1                0.933786
                3             6              12            1                0.944335
                4             6              13            1                0.938223
                4             6              14            1                0.940331
               15             6              16            6                0.926252
               15             6              19            6                0.915087
               15             6              20            1                0.936959
               15             6              21            1                0.937727
               16             6              17            6                0.914922
               16             6              22            1                0.933452
               16             6              23            1                0.940771
               17             6              18            6                0.911061
               17             6              24            1                0.934062
               17             6              25            1                0.941770
               18             6              19            6                0.914700
               18             6              26            1                0.943109
               18             6              27            1                0.940088
               19             6              28            1                0.939156
               19             6              29            1                0.935025
               30             6              31            6                0.937131
               30             6              34            6                0.918568
               30             6              35            1                0.936538
               30             6              36            1                0.940719
               31             6              32            6                0.905057
               31             6              37            1                0.938216
               31             6              38            1                0.937366
               32             6              33            6                0.920998
               32             6              39            1                0.934068
               32             6              40            1                0.935776
               33             6              34            6                0.921255
               33             6              41            1                0.936587
               33             6              42            1                0.938655
               34             6              43            1                0.930604
               34             6              44            1                0.943266
               45             6              46            6                0.906903
               45             6              49            6                0.912941
               45             6              50            1                0.925182
               45             6              51            1                0.938020
               46             6              47            6                0.914079
               46             6              52            1                0.944161
               46             6              53            1                0.928543
               47             6              48            6                0.926100
               47             6              54            1                0.944098
               47             6              55            1                0.934740
               48             6              49            6                0.909893
               48             6              56            1                0.937671
               48             6              57            1                0.913014
               49             6              58            1                0.924639
               49             6              59            1                0.934177
               60             6              61            6                0.918168
               60             6              64            6                0.921662
               60             6              65            1                0.946766
               60             6              66            1                0.933720
               61             6              62            6                0.927054
               61             6              67            1                0.941090
               61             6              68            1                0.934003
               62             6              63            6                0.899340
               62             6              69            1                0.949657
               62             6              70            1                0.921393
               63             6              64            6                0.916882
               63             6              71            1                0.935908
               63             6              72            1                0.939634
               64             6              73            1                0.935866
               64             6              74            1                0.939778
               75             6              76            6                0.907562
               75             6              79            6                0.914327
               75             6              80            1                0.937404
               75             6              81            1                0.940920
               76             6              77            6                0.903627
               76             6              82            1                0.942489
               76             6              83            1                0.926546
               77             6              78            6                0.900385
               77             6              84            1                0.939744
               77             6              85            1                0.941152
               78             6              79            6                0.928802
               78             6              86            1                0.941079
               78             6              87            1                0.941377
               79             6              88            1                0.936082
               79             6              89            1                0.940280
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2167459771
        Correlation Energy:       -5.0684355946
        Total MP2 Energy:      -1176.2851815717
# -----------------------------------------------------------
$ 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) :        0.2308550025
        Electronic Contribution:
                  0    
      0      -0.263632
      1      -0.096315
      2      -0.319174
        Nuclear Contribution:
                  0    
      0       0.184768
      1       0.120501
      2       0.281169
        Total Dipole moment:
                  0    
      0      -0.078864
      1       0.024186
      2      -0.038005
# -----------------------------------------------------------
$ 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) :        0.2311957766
        Electronic Contribution:
                  0    
      0      -0.263279
      1      -0.095121
      2      -0.319447
        Nuclear Contribution:
                  0    
      0       0.184768
      1       0.120501
      2       0.281169
        Total Dipole moment:
                  0    
      0      -0.078511
      1       0.025380
      2      -0.038278
# -----------------------------------------------------------
$ 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) :        0.2017578764
        Electronic Contribution:
                  0    
      0      -0.236623
      1      -0.072764
      2      -0.317677
        Nuclear Contribution:
                  0    
      0       0.184768
      1       0.120501
      2       0.281169
        Total Dipole moment:
                  0    
      0      -0.051855
      1       0.047737
      2      -0.036509
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     19.800000000000   18.230000000000   23.360000000000
               1 C     20.520000000000   17.620000000000   22.150000000000
               2 C     19.510000000000   16.780000000000   21.330000000000
               3 C     18.240000000000   16.700000000000   22.150000000000
               4 C     18.370000000000   17.650000000000   23.360000000000
               5 H     19.750000000000   19.330000000000   23.310000000000
               6 H     20.290000000000   17.880000000000   24.260000000000
               7 H     21.370000000000   16.990000000000   22.460000000000
               8 H     20.910000000000   18.450000000000   21.550000000000
               9 H     20.030000000000   15.840000000000   21.020000000000
              10 H     19.270000000000   17.240000000000   20.400000000000
              11 H     18.120000000000   15.680000000000   22.530000000000
              12 H     17.340000000000   16.960000000000   21.610000000000
              13 H     18.210000000000   17.080000000000   24.290000000000
              14 H     17.640000000000   18.460000000000   23.290000000000
              15 C     13.420000000000   20.990000000000   13.770000000000
              16 C     14.750000000000   20.330000000000   13.860000000000
              17 C     15.260000000000   20.590000000000   15.330000000000
              18 C     14.090000000000   21.050000000000   16.150000000000
              19 C     12.940000000000   21.350000000000   15.230000000000
              20 H     12.690000000000   20.300000000000   13.270000000000
              21 H     13.450000000000   21.900000000000   13.160000000000
              22 H     15.450000000000   20.750000000000   13.100000000000
              23 H     14.610000000000   19.280000000000   13.600000000000
              24 H     16.130000000000   21.260000000000   15.400000000000
              25 H     15.640000000000   19.660000000000   15.790000000000
              26 H     14.390000000000   21.910000000000   16.700000000000
              27 H     13.870000000000   20.260000000000   16.860000000000
              28 H     12.660000000000   22.410000000000   15.360000000000
              29 H     11.980000000000   20.840000000000   15.500000000000
              30 C     22.190000000000   22.550000000000   19.090000000000
              31 C     21.130000000000   21.520000000000   18.930000000000
              32 C     20.970000000000   20.780000000000   20.320000000000
              33 C     21.630000000000   21.680000000000   21.340000000000
              34 C     22.300000000000   22.850000000000   20.580000000000
              35 H     21.960000000000   23.460000000000   18.500000000000
              36 H     23.160000000000   22.250000000000   18.730000000000
              37 H     21.450000000000   20.780000000000   18.210000000000
              38 H     20.150000000000   21.890000000000   18.660000000000
              39 H     21.500000000000   19.820000000000   20.310000000000
              40 H     19.910000000000   20.660000000000   20.450000000000
              41 H     22.270000000000   21.180000000000   22.040000000000
              42 H     20.840000000000   22.170000000000   21.960000000000
              43 H     23.380000000000   23.020000000000   20.890000000000
              44 H     21.790000000000   23.780000000000   20.770000000000
              45 C     17.430000000000   19.830000000000   18.760000000000
              46 C     16.380000000000   18.680000000000   18.500000000000
              47 C     15.210000000000   18.720000000000   19.540000000000
              48 C     15.300000000000   20.150000000000   20.060000000000
              49 C     16.810000000000   20.690000000000   19.830000000000
              50 H     17.780000000000   20.430000000000   17.890000000000
              51 H     18.360000000000   19.400000000000   19.260000000000
              52 H     16.880000000000   17.710000000000   18.670000000000
              53 H     16.040000000000   18.680000000000   17.420000000000
              54 H     15.510000000000   17.980000000000   20.260000000000
              55 H     14.300000000000   18.480000000000   19.100000000000
              56 H     15.240000000000   19.920000000000   21.160000000000
              57 H     14.450000000000   20.860000000000   19.730000000000
              58 H     17.460000000000   20.680000000000   20.820000000000
              59 H     16.650000000000   21.710000000000   19.540000000000
              60 C     13.510000000000   23.320000000000   25.040000000000
              61 C     14.560000000000   22.320000000000   25.640000000000
              62 C     14.890000000000   21.270000000000   24.550000000000
              63 C     14.490000000000   21.900000000000   23.180000000000
              64 C     13.390000000000   22.920000000000   23.560000000000
              65 H     13.920000000000   24.280000000000   25.090000000000
              66 H     12.600000000000   23.490000000000   25.610000000000
              67 H     14.150000000000   21.780000000000   26.480000000000
              68 H     15.510000000000   22.780000000000   26.010000000000
              69 H     14.310000000000   20.410000000000   24.660000000000
              70 H     16.000000000000   20.960000000000   24.470000000000
              71 H     13.990000000000   21.230000000000   22.510000000000
              72 H     15.230000000000   22.510000000000   22.700000000000
              73 H     12.370000000000   22.530000000000   23.370000000000
              74 H     13.460000000000   23.820000000000   22.910000000000
              75 C     12.750000000000   17.060000000000   22.970000000000
              76 C     14.270000000000   17.240000000000   23.260000000000
              77 C     14.360000000000   17.470000000000   24.790000000000
              78 C     12.930000000000   17.560000000000   25.370000000000
              79 C     11.930000000000   17.430000000000   24.280000000000
              80 H     12.510000000000   15.980000000000   22.730000000000
              81 H     12.440000000000   17.580000000000   22.110000000000
              82 H     14.590000000000   18.220000000000   22.810000000000
              83 H     14.920000000000   16.460000000000   22.850000000000
              84 H     14.930000000000   18.440000000000   24.940000000000
              85 H     14.790000000000   16.650000000000   25.330000000000
              86 H     12.860000000000   18.520000000000   25.840000000000
              87 H     12.940000000000   16.720000000000   26.050000000000
              88 H     11.270000000000   18.280000000000   24.160000000000
              89 H     11.220000000000   16.630000000000   24.450000000000
