-------------------------------------------------------------
----------------------- !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:    -1171.2305321419
# -----------------------------------------------------------
$ 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     6.1822     6.0000    -0.1822     3.8957     3.8957    -0.0000
  1   0     6.1901     6.0000    -0.1901     3.8972     3.8972    -0.0000
  2   0     6.1775     6.0000    -0.1775     3.8872     3.8872    -0.0000
  3   0     6.1386     6.0000    -0.1386     3.9126     3.9126    -0.0000
  4   0     6.1733     6.0000    -0.1733     3.8838     3.8838    -0.0000
  5   0     0.8935     1.0000     0.1065     0.9664     0.9664     0.0000
  6   0     0.9172     1.0000     0.0828     0.9711     0.9711     0.0000
  7   0     0.9099     1.0000     0.0901     0.9700     0.9700     0.0000
  8   0     0.9141     1.0000     0.0859     0.9744     0.9744     0.0000
  9   0     0.9129     1.0000     0.0871     0.9730     0.9730    -0.0000
 10   0     0.9108     1.0000     0.0892     0.9707     0.9707    -0.0000
 11   0     0.9169     1.0000     0.0831     0.9718     0.9718     0.0000
 12   0     0.9048     1.0000     0.0952     0.9715     0.9715     0.0000
 13   0     0.9144     1.0000     0.0856     0.9820     0.9820    -0.0000
 14   0     0.9360     1.0000     0.0640     0.9729     0.9729    -0.0000
 15   0     6.1235     6.0000    -0.1235     3.8933     3.8933    -0.0000
 16   0     6.2034     6.0000    -0.2034     3.9528     3.9528    -0.0000
 17   0     6.1091     6.0000    -0.1091     3.8882     3.8882    -0.0000
 18   0     6.2035     6.0000    -0.2035     3.8888     3.8888    -0.0000
 19   0     6.1560     6.0000    -0.1560     3.8929     3.8929     0.0000
 20   0     0.9098     1.0000     0.0902     0.9743     0.9743     0.0000
 21   0     0.9284     1.0000     0.0716     0.9777     0.9777     0.0000
 22   0     0.9103     1.0000     0.0897     0.9760     0.9760    -0.0000
 23   0     0.9147     1.0000     0.0853     0.9768     0.9768    -0.0000
 24   0     0.9163     1.0000     0.0837     0.9832     0.9832     0.0000
 25   0     0.9182     1.0000     0.0818     0.9762     0.9762    -0.0000
 26   0     0.9304     1.0000     0.0696     0.9823     0.9823    -0.0000
 27   0     0.9266     1.0000     0.0734     0.9800     0.9800    -0.0000
 28   0     0.9258     1.0000     0.0742     0.9839     0.9839     0.0000
 29   0     0.9217     1.0000     0.0783     0.9770     0.9770     0.0000
 30   0     6.1114     6.0000    -0.1114     3.8649     3.8649    -0.0000
 31   0     6.1799     6.0000    -0.1799     3.8845     3.8845    -0.0000
 32   0     6.1919     6.0000    -0.1919     3.8664     3.8664    -0.0000
 33   0     6.1757     6.0000    -0.1757     3.8846     3.8846    -0.0000
 34   0     6.1503     6.0000    -0.1503     3.8993     3.8993    -0.0000
 35   0     0.9672     1.0000     0.0328     1.0080     1.0080     0.0000
 36   0     0.9190     1.0000     0.0810     0.9781     0.9781     0.0000
 37   0     0.9194     1.0000     0.0806     0.9744     0.9744    -0.0000
 38   0     0.9052     1.0000     0.0948     0.9710     0.9710     0.0000
 39   0     0.9117     1.0000     0.0883     0.9698     0.9698     0.0000
 40   0     0.9131     1.0000     0.0869     0.9742     0.9742     0.0000
 41   0     0.9109     1.0000     0.0891     0.9729     0.9729     0.0000
 42   0     0.9138     1.0000     0.0862     0.9791     0.9791    -0.0000
 43   0     0.9113     1.0000     0.0887     0.9787     0.9787    -0.0000
 44   0     0.9177     1.0000     0.0823     0.9767     0.9767    -0.0000
 45   0     6.1631     6.0000    -0.1631     3.9113     3.9113     0.0000
 46   0     6.1828     6.0000    -0.1828     3.9130     3.9130    -0.0000
 47   0     6.1379     6.0000    -0.1379     3.9097     3.9097    -0.0000
 48   0     6.1773     6.0000    -0.1773     3.9146     3.9146     0.0000
 49   0     6.1398     6.0000    -0.1398     3.8864     3.8864     0.0000
 50   0     0.9178     1.0000     0.0822     0.9739     0.9739    -0.0000
 51   0     0.9089     1.0000     0.0911     0.9721     0.9721    -0.0000
 52   0     0.9201     1.0000     0.0799     0.9740     0.9740    -0.0000
 53   0     0.9078     1.0000     0.0922     0.9738     0.9738    -0.0000
 54   0     0.9062     1.0000     0.0938     0.9799     0.9799    -0.0000
 55   0     0.9292     1.0000     0.0708     0.9786     0.9786     0.0000
 56   0     0.9256     1.0000     0.0744     0.9792     0.9792    -0.0000
 57   0     0.9219     1.0000     0.0781     0.9834     0.9834     0.0000
 58   0     0.9347     1.0000     0.0653     0.9820     0.9820     0.0000
 59   0     0.9360     1.0000     0.0640     0.9794     0.9794     0.0000
 60   0     6.1857     6.0000    -0.1857     3.8835     3.8835    -0.0000
 61   0     6.1226     6.0000    -0.1226     3.8748     3.8748    -0.0000
 62   0     6.1862     6.0000    -0.1862     3.8622     3.8622    -0.0000
 63   0     6.1679     6.0000    -0.1679     3.9114     3.9114    -0.0000
 64   0     6.1519     6.0000    -0.1519     3.8881     3.8881    -0.0000
 65   0     0.9150     1.0000     0.0850     0.9718     0.9718    -0.0000
 66   0     0.9154     1.0000     0.0846     0.9750     0.9750    -0.0000
 67   0     0.9534     1.0000     0.0466     0.9867     0.9867    -0.0000
 68   0     0.9153     1.0000     0.0847     0.9813     0.9813    -0.0000
 69   0     0.9193     1.0000     0.0807     0.9791     0.9791     0.0000
 70   0     0.8991     1.0000     0.1009     0.9734     0.9734     0.0000
 71   0     0.9231     1.0000     0.0769     0.9809     0.9809     0.0000
 72   0     0.9073     1.0000     0.0927     0.9788     0.9788    -0.0000
 73   0     0.9191     1.0000     0.0809     0.9755     0.9755    -0.0000
 74   0     0.9161     1.0000     0.0839     0.9768     0.9768    -0.0000
 75   0     6.1286     6.0000    -0.1286     3.8975     3.8975     0.0000
 76   0     6.2131     6.0000    -0.2131     3.9171     3.9171    -0.0000
 77   0     6.0650     6.0000    -0.0650     3.8126     3.8126    -0.0000
 78   0     6.2198     6.0000    -0.2198     3.9012     3.9012     0.0000
 79   0     6.1600     6.0000    -0.1600     3.8987     3.8987     0.0000
 80   0     0.9226     1.0000     0.0774     0.9754     0.9754    -0.0000
 81   0     0.9198     1.0000     0.0802     0.9759     0.9759     0.0000
 82   0     0.9232     1.0000     0.0768     0.9719     0.9719    -0.0000
 83   0     0.9161     1.0000     0.0839     0.9779     0.9779    -0.0000
 84   0     0.9550     1.0000     0.0450     0.9940     0.9940     0.0000
 85   0     0.9265     1.0000     0.0735     0.9783     0.9783    -0.0000
 86   0     0.9146     1.0000     0.0854     0.9701     0.9701     0.0000
 87   0     0.9167     1.0000     0.0833     0.9741     0.9741     0.0000
 88   0     0.9190     1.0000     0.0810     0.9756     0.9756    -0.0000
 89   0     0.9050     1.0000     0.0950     0.9775     0.9775     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                0.981192
                0             6               4            6                0.960875
                0             6               5            1                0.980660
                0             6               6            1                0.993353
                1             6               2            6                0.967255
                1             6               7            1                0.996805
                1             6               8            1                0.992668
                2             6               3            6                0.969632
                2             6               9            1                1.000687
                2             6              10            1                0.992449
                3             6               4            6                0.972656
                3             6              11            1                0.996277
                3             6              12            1                0.985597
                4             6              13            1                0.991192
                4             6              14            1                0.988372
               15             6              16            6                0.977477
               15             6              19            6                0.970618
               15             6              20            1                0.989937
               15             6              21            1                1.001128
               16             6              17            6                0.991734
               16             6              22            1                0.994431
               16             6              23            1                0.989121
               17             6              18            6                0.962187
               17             6              24            1                0.993437
               17             6              25            1                0.986919
               18             6              19            6                0.973263
               18             6              26            1                0.994921
               18             6              27            1                0.987944
               19             6              28            1                0.992451
               19             6              29            1                0.984827
               30             6              31            6                0.953650
               30             6              34            6                0.967915
               30             6              35            1                1.007168
               30             6              36            1                0.994927
               31             6              32            6                0.964413
               31             6              37            1                0.994173
               31             6              38            1                0.984264
               32             6              33            6                0.958400
               32             6              39            1                0.991105
               32             6              40            1                0.994266
               33             6              34            6                0.971778
               33             6              41            1                0.989287
               33             6              42            1                0.989630
               34             6              43            1                0.986829
               34             6              44            1                0.991943
               45             6              46            6                0.977621
               45             6              49            6                0.968767
               45             6              50            1                0.999225
               45             6              51            1                0.996327
               46             6              47            6                0.979362
               46             6              52            1                0.997869
               46             6              53            1                0.992810
               47             6              48            6                0.980919
               47             6              54            1                0.993272
               47             6              55            1                0.994500
               48             6              49            6                0.970844
               48             6              56            1                0.995149
               48             6              57            1                0.986138
               49             6              58            1                0.999343
               49             6              59            1                0.990160
               60             6              61            6                0.962724
               60             6              64            6                0.965889
               60             6              65            1                0.990188
               60             6              66            1                1.005739
               61             6              62            6                0.961089
               61             6              67            1                0.991595
               61             6              68            1                0.995592
               62             6              63            6                0.959205
               62             6              69            1                0.992639
               62             6              70            1                0.990266
               63             6              64            6                0.977383
               63             6              71            1                1.002141
               63             6              72            1                0.987802
               64             6              73            1                0.994707
               64             6              74            1                0.987405
               75             6              76            6                0.974340
               75             6              79            6                0.977656
               75             6              80            1                0.992965
               75             6              81            1                0.989645
               76             6              77            6                0.965454
               76             6              82            1                0.992440
               76             6              83            1                0.994882
               77             6              78            6                0.943769
               77             6              84            1                0.985186
               77             6              85            1                0.992835
               78             6              79            6                0.976825
               78             6              86            1                0.993843
               78             6              87            1                1.000463
               79             6              88            1                0.987657
               79             6              89            1                0.986474
# -----------------------------------------------------------
$ 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     6.1912     6.0000    -0.1912     4.0112     3.6738     0.3374
  1   0     6.1978     6.0000    -0.1978     4.0088     3.6817     0.3271
  2   0     6.1864     6.0000    -0.1864     4.0014     3.6749     0.3265
  3   0     6.1476     6.0000    -0.1476     4.0246     3.7008     0.3238
  4   0     6.1800     6.0000    -0.1800     3.9958     3.6645     0.3313
  5   0     0.8895     1.0000     0.1105     0.9750     0.9228     0.0522
  6   0     0.9130     1.0000     0.0870     0.9806     0.9258     0.0548
  7   0     0.9059     1.0000     0.0941     0.9792     0.9273     0.0519
  8   0     0.9101     1.0000     0.0899     0.9836     0.9306     0.0530
  9   0     0.9088     1.0000     0.0912     0.9822     0.9286     0.0536
 10   0     0.9068     1.0000     0.0932     0.9798     0.9272     0.0526
 11   0     0.9125     1.0000     0.0875     0.9811     0.9295     0.0516
 12   0     0.9003     1.0000     0.0997     0.9801     0.9298     0.0503
 13   0     0.9099     1.0000     0.0901     0.9910     0.9395     0.0515
 14   0     0.9327     1.0000     0.0673     0.9850     0.9254     0.0596
 15   0     6.1313     6.0000    -0.1313     3.9988     3.6869     0.3119
 16   0     6.2108     6.0000    -0.2108     4.0613     3.7419     0.3194
 17   0     6.1175     6.0000    -0.1175     3.9956     3.6742     0.3214
 18   0     6.2105     6.0000    -0.2105     4.0013     3.6739     0.3274
 19   0     6.1645     6.0000    -0.1645     4.0026     3.6825     0.3201
 20   0     0.9059     1.0000     0.0941     0.9834     0.9320     0.0514
 21   0     0.9244     1.0000     0.0756     0.9873     0.9353     0.0520
 22   0     0.9065     1.0000     0.0935     0.9851     0.9356     0.0495
 23   0     0.9110     1.0000     0.0890     0.9862     0.9332     0.0530
 24   0     0.9123     1.0000     0.0877     0.9923     0.9424     0.0499
 25   0     0.9143     1.0000     0.0857     0.9856     0.9325     0.0531
 26   0     0.9265     1.0000     0.0735     0.9923     0.9400     0.0523
 27   0     0.9226     1.0000     0.0774     0.9899     0.9372     0.0527
 28   0     0.9215     1.0000     0.0785     0.9929     0.9421     0.0508
 29   0     0.9177     1.0000     0.0823     0.9866     0.9342     0.0524
 30   0     6.1192     6.0000    -0.1192     3.9728     3.6496     0.3232
 31   0     6.1877     6.0000    -0.1877     3.9955     3.6678     0.3277
 32   0     6.2000     6.0000    -0.2000     3.9815     3.6510     0.3305
 33   0     6.1831     6.0000    -0.1831     3.9948     3.6684     0.3264
 34   0     6.1579     6.0000    -0.1579     4.0080     3.6848     0.3232
 35   0     0.9634     1.0000     0.0366     1.0193     0.9640     0.0553
 36   0     0.9149     1.0000     0.0851     0.9875     0.9375     0.0500
 37   0     0.9154     1.0000     0.0846     0.9838     0.9311     0.0527
 38   0     0.9015     1.0000     0.0985     0.9802     0.9279     0.0523
 39   0     0.9076     1.0000     0.0924     0.9791     0.9255     0.0536
 40   0     0.9092     1.0000     0.0908     0.9836     0.9300     0.0536
 41   0     0.9071     1.0000     0.0929     0.9822     0.9291     0.0531
 42   0     0.9100     1.0000     0.0900     0.9883     0.9363     0.0520
 43   0     0.9072     1.0000     0.0928     0.9877     0.9367     0.0510
 44   0     0.9142     1.0000     0.0858     0.9867     0.9347     0.0520
 45   0     6.1710     6.0000    -0.1710     4.0200     3.7033     0.3167
 46   0     6.1906     6.0000    -0.1906     4.0231     3.6996     0.3235
 47   0     6.1456     6.0000    -0.1456     4.0175     3.7008     0.3167
 48   0     6.1842     6.0000    -0.1842     4.0243     3.7038     0.3205
 49   0     6.1481     6.0000    -0.1481     3.9988     3.6712     0.3276
 50   0     0.9141     1.0000     0.0859     0.9835     0.9302     0.0533
 51   0     0.9050     1.0000     0.0950     0.9810     0.9321     0.0489
 52   0     0.9164     1.0000     0.0836     0.9837     0.9299     0.0538
 53   0     0.9040     1.0000     0.0960     0.9828     0.9315     0.0513
 54   0     0.9022     1.0000     0.0978     0.9888     0.9410     0.0478
 55   0     0.9254     1.0000     0.0746     0.9886     0.9356     0.0530
 56   0     0.9216     1.0000     0.0784     0.9889     0.9382     0.0507
 57   0     0.9179     1.0000     0.0821     0.9930     0.9417     0.0513
 58   0     0.9297     1.0000     0.0703     0.9914     0.9377     0.0537
 59   0     0.9330     1.0000     0.0670     0.9911     0.9349     0.0562
 60   0     6.1948     6.0000    -0.1948     3.9972     3.6776     0.3196
 61   0     6.1297     6.0000    -0.1297     3.9817     3.6584     0.3233
 62   0     6.1938     6.0000    -0.1938     3.9772     3.6458     0.3314
 63   0     6.1760     6.0000    -0.1760     4.0224     3.6968     0.3256
 64   0     6.1596     6.0000    -0.1596     3.9963     3.6770     0.3193
 65   0     0.9109     1.0000     0.0891     0.9811     0.9307     0.0504
 66   0     0.9112     1.0000     0.0888     0.9840     0.9347     0.0493
 67   0     0.9499     1.0000     0.0501     0.9980     0.9422     0.0558
 68   0     0.9110     1.0000     0.0890     0.9903     0.9393     0.0510
 69   0     0.9154     1.0000     0.0846     0.9888     0.9346     0.0542
 70   0     0.8951     1.0000     0.1049     0.9821     0.9313     0.0508
 71   0     0.9195     1.0000     0.0805     0.9908     0.9373     0.0535
 72   0     0.9033     1.0000     0.0967     0.9877     0.9383     0.0494
 73   0     0.9152     1.0000     0.0848     0.9850     0.9326     0.0524
 74   0     0.9121     1.0000     0.0879     0.9861     0.9332     0.0529
 75   0     6.1366     6.0000    -0.1366     4.0039     3.6888     0.3151
 76   0     6.2207     6.0000    -0.2207     4.0284     3.7047     0.3237
 77   0     6.0722     6.0000    -0.0722     3.9174     3.6026     0.3148
 78   0     6.2276     6.0000    -0.2276     4.0141     3.6859     0.3282
 79   0     6.1675     6.0000    -0.1675     4.0073     3.6836     0.3237
 80   0     0.9187     1.0000     0.0813     0.9851     0.9327     0.0524
 81   0     0.9159     1.0000     0.0841     0.9853     0.9330     0.0523
 82   0     0.9194     1.0000     0.0806     0.9819     0.9264     0.0555
 83   0     0.9122     1.0000     0.0878     0.9871     0.9357     0.0514
 84   0     0.9518     1.0000     0.0482     1.0059     0.9508     0.0551
 85   0     0.9224     1.0000     0.0776     0.9878     0.9377     0.0501
 86   0     0.9108     1.0000     0.0892     0.9796     0.9266     0.0530
 87   0     0.9129     1.0000     0.0871     0.9838     0.9323     0.0515
 88   0     0.9152     1.0000     0.0848     0.9851     0.9309     0.0542
 89   0     0.9013     1.0000     0.0987     0.9865     0.9350     0.0515
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.914310
                0             6               4            6                0.895786
                0             6               5            1                0.938463
                0             6               6            1                0.949137
                1             6               2            6                0.905310
                1             6               7            1                0.955270
                1             6               8            1                0.950216
                2             6               3            6                0.907774
                2             6               9            1                0.957422
                2             6              10            1                0.950126
                3             6               4            6                0.909300
                3             6              11            1                0.954626
                3             6              12            1                0.945061
                4             6              13            1                0.949963
                4             6              14            1                0.942074
               15             6              16            6                0.916749
               15             6              19            6                0.910254
               15             6              20            1                0.948945
               15             6              21            1                0.959616
               16             6              17            6                0.927070
               16             6              22            1                0.955282
               16             6              23            1                0.946936
               17             6              18            6                0.897714
               17             6              24            1                0.953885
               17             6              25            1                0.944508
               18             6              19            6                0.908744
               18             6              26            1                0.953668
               18             6              27            1                0.946438
               19             6              28            1                0.951894
               19             6              29            1                0.943349
               30             6              31            6                0.887753
               30             6              34            6                0.903659
               30             6              35            1                0.964047
               30             6              36            1                0.955312
               31             6              32            6                0.901590
               31             6              37            1                0.951995
               31             6              38            1                0.942612
               32             6              33            6                0.894839
               32             6              39            1                0.948033
               32             6              40            1                0.951189
               33             6              34            6                0.906843
               33             6              41            1                0.946913
               33             6              42            1                0.948331
               34             6              43            1                0.946330
               34             6              44            1                0.951000
               45             6              46            6                0.915365
               45             6              49            6                0.907429
               45             6              50            1                0.956815
               45             6              51            1                0.957224
               46             6              47            6                0.915277
               46             6              52            1                0.954962
               46             6              53            1                0.951772
               47             6              48            6                0.918462
               47             6              54            1                0.955782
               47             6              55            1                0.952732
               48             6              49            6                0.906784
               48             6              56            1                0.955200
               48             6              57            1                0.945767
               49             6              58            1                0.956150
               49             6              59            1                0.946478
               60             6              61            6                0.898812
               60             6              64            6                0.905535
               60             6              65            1                0.950383
               60             6              66            1                0.966424
               61             6              62            6                0.897185
               61             6              67            1                0.948171
               61             6              68            1                0.954608
               62             6              63            6                0.894076
               62             6              69            1                0.949368
               62             6              70            1                0.949207
               63             6              64            6                0.913561
               63             6              71            1                0.959629
               63             6              72            1                0.948806
               64             6              73            1                0.953067
               64             6              74            1                0.945321
               75             6              76            6                0.913145
               75             6              79            6                0.916576
               75             6              80            1                0.951717
               75             6              81            1                0.948046
               76             6              77            6                0.903262
               76             6              82            1                0.948212
               76             6              83            1                0.953990
               77             6              78            6                0.880342
               77             6              84            1                0.942994
               77             6              85            1                0.953264
               78             6              79            6                0.910891
               78             6              86            1                0.951522
               78             6              87            1                0.959818
               79             6              88            1                0.944326
               79             6              89            1                0.945480
# -----------------------------------------------------------
$ 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     6.2368     6.0000    -0.2368     3.9927     3.6600     0.3327
  1   0     6.2419     6.0000    -0.2419     3.9809     3.6582     0.3227
  2   0     6.2408     6.0000    -0.2408     3.9855     3.6635     0.3220
  3   0     6.2086     6.0000    -0.2086     4.0137     3.6941     0.3196
  4   0     6.2221     6.0000    -0.2221     3.9780     3.6518     0.3262
  5   0     0.8672     1.0000     0.1328     0.9698     0.9189     0.0509
  6   0     0.8912     1.0000     0.1088     0.9771     0.9235     0.0536
  7   0     0.8815     1.0000     0.1185     0.9727     0.9220     0.0507
  8   0     0.8858     1.0000     0.1142     0.9759     0.9240     0.0519
  9   0     0.8816     1.0000     0.1184     0.9752     0.9229     0.0523
 10   0     0.8814     1.0000     0.1186     0.9713     0.9199     0.0514
 11   0     0.8861     1.0000     0.1139     0.9813     0.9311     0.0502
 12   0     0.8786     1.0000     0.1214     0.9751     0.9260     0.0491
 13   0     0.8863     1.0000     0.1137     0.9879     0.9377     0.0502
 14   0     0.9071     1.0000     0.0929     0.9837     0.9258     0.0579
 15   0     6.1826     6.0000    -0.1826     3.9875     3.6798     0.3077
 16   0     6.2537     6.0000    -0.2537     4.0428     3.7274     0.3154
 17   0     6.1715     6.0000    -0.1715     3.9833     3.6658     0.3175
 18   0     6.2618     6.0000    -0.2618     3.9845     3.6615     0.3230
 19   0     6.2219     6.0000    -0.2219     3.9824     3.6664     0.3160
 20   0     0.8825     1.0000     0.1175     0.9760     0.9256     0.0504
 21   0     0.8990     1.0000     0.1010     0.9791     0.9281     0.0510
 22   0     0.8830     1.0000     0.1170     0.9770     0.9285     0.0485
 23   0     0.8867     1.0000     0.1133     0.9767     0.9247     0.0520
 24   0     0.8881     1.0000     0.1119     0.9843     0.9354     0.0489
 25   0     0.8923     1.0000     0.1077     0.9785     0.9263     0.0522
 26   0     0.8992     1.0000     0.1008     0.9840     0.9329     0.0511
 27   0     0.8907     1.0000     0.1093     0.9824     0.9312     0.0512
 28   0     0.8922     1.0000     0.1078     0.9841     0.9345     0.0496
 29   0     0.8928     1.0000     0.1072     0.9789     0.9276     0.0513
 30   0     6.1963     6.0000    -0.1963     3.9558     3.6364     0.3194
 31   0     6.2278     6.0000    -0.2278     3.9687     3.6454     0.3233
 32   0     6.2492     6.0000    -0.2492     3.9644     3.6383     0.3261
 33   0     6.2289     6.0000    -0.2289     3.9818     3.6596     0.3222
 34   0     6.2069     6.0000    -0.2069     3.9854     3.6664     0.3190
 35   0     0.9123     1.0000     0.0877     1.0042     0.9508     0.0534
 36   0     0.8900     1.0000     0.1100     0.9800     0.9311     0.0489
 37   0     0.8926     1.0000     0.1074     0.9761     0.9244     0.0517
 38   0     0.8796     1.0000     0.1204     0.9773     0.9260     0.0513
 39   0     0.8845     1.0000     0.1155     0.9707     0.9181     0.0526
 40   0     0.8810     1.0000     0.1190     0.9751     0.9228     0.0523
 41   0     0.8849     1.0000     0.1151     0.9743     0.9222     0.0521
 42   0     0.8863     1.0000     0.1137     0.9805     0.9296     0.0509
 43   0     0.8857     1.0000     0.1143     0.9809     0.9309     0.0500
 44   0     0.8889     1.0000     0.1111     0.9843     0.9335     0.0508
 45   0     6.2190     6.0000    -0.2190     4.0091     3.6966     0.3125
 46   0     6.2348     6.0000    -0.2348     4.0070     3.6875     0.3195
 47   0     6.1991     6.0000    -0.1991     4.0056     3.6928     0.3128
 48   0     6.2393     6.0000    -0.2393     4.0113     3.6951     0.3162
 49   0     6.2091     6.0000    -0.2091     3.9945     3.6713     0.3232
 50   0     0.8883     1.0000     0.1117     0.9744     0.9222     0.0522
 51   0     0.8812     1.0000     0.1188     0.9725     0.9246     0.0479
 52   0     0.8916     1.0000     0.1084     0.9742     0.9214     0.0528
 53   0     0.8807     1.0000     0.1193     0.9740     0.9237     0.0503
 54   0     0.8783     1.0000     0.1217     0.9797     0.9330     0.0467
 55   0     0.8991     1.0000     0.1009     0.9806     0.9288     0.0518
 56   0     0.8954     1.0000     0.1046     0.9800     0.9305     0.0495
 57   0     0.8870     1.0000     0.1130     0.9832     0.9332     0.0500
 58   0     0.8978     1.0000     0.1022     0.9780     0.9257     0.0523
 59   0     0.9064     1.0000     0.0936     0.9878     0.9331     0.0547
 60   0     6.2470     6.0000    -0.2470     3.9724     3.6569     0.3155
 61   0     6.1898     6.0000    -0.1898     3.9598     3.6407     0.3191
 62   0     6.2342     6.0000    -0.2342     3.9599     3.6332     0.3267
 63   0     6.2273     6.0000    -0.2273     4.0059     3.6844     0.3215
 64   0     6.2042     6.0000    -0.2042     3.9755     3.6606     0.3149
 65   0     0.8865     1.0000     0.1135     0.9740     0.9247     0.0493
 66   0     0.8818     1.0000     0.1182     0.9749     0.9269     0.0480
 67   0     0.9202     1.0000     0.0798     1.0001     0.9457     0.0544
 68   0     0.8868     1.0000     0.1132     0.9818     0.9319     0.0499
 69   0     0.8897     1.0000     0.1103     0.9818     0.9288     0.0530
 70   0     0.8718     1.0000     0.1282     0.9744     0.9247     0.0497
 71   0     0.8949     1.0000     0.1051     0.9849     0.9325     0.0524
 72   0     0.8814     1.0000     0.1186     0.9793     0.9309     0.0484
 73   0     0.8921     1.0000     0.1079     0.9795     0.9282     0.0513
 74   0     0.8903     1.0000     0.1097     0.9791     0.9272     0.0519
 75   0     6.1932     6.0000    -0.1932     3.9938     3.6828     0.3110
 76   0     6.2614     6.0000    -0.2614     4.0038     3.6847     0.3191
 77   0     6.1450     6.0000    -0.1450     3.9280     3.6172     0.3108
 78   0     6.2614     6.0000    -0.2614     3.9883     3.6643     0.3240
 79   0     6.2118     6.0000    -0.2118     3.9983     3.6789     0.3194
 80   0     0.8948     1.0000     0.1052     0.9771     0.9257     0.0514
 81   0     0.8896     1.0000     0.1104     0.9759     0.9247     0.0512
 82   0     0.8944     1.0000     0.1056     0.9738     0.9194     0.0544
 83   0     0.8856     1.0000     0.1144     0.9772     0.9269     0.0503
 84   0     0.9211     1.0000     0.0789     0.9969     0.9432     0.0537
 85   0     0.8965     1.0000     0.1035     0.9797     0.9307     0.0490
 86   0     0.8871     1.0000     0.1129     0.9729     0.9210     0.0519
 87   0     0.8888     1.0000     0.1112     0.9759     0.9255     0.0504
 88   0     0.8928     1.0000     0.1072     0.9770     0.9237     0.0533
 89   0     0.8812     1.0000     0.1188     0.9786     0.9280     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                0.917912
                0             6               4            6                0.904013
                0             6               5            1                0.924629
                0             6               6            1                0.935535
                1             6               2            6                0.913285
                1             6               7            1                0.940556
                1             6               8            1                0.934785
                2             6               3            6                0.916600
                2             6               9            1                0.939718
                2             6              10            1                0.934962
                3             6               4            6                0.919399
                3             6              11            1                0.937762
                3             6              12            1                0.931894
                4             6              13            1                0.937876
                4             6              14            1                0.925205
               15             6              16            6                0.929136
               15             6              19            6                0.920480
               15             6              20            1                0.934528
               15             6              21            1                0.944278
               16             6              17            6                0.935140
               16             6              22            1                0.942457
               16             6              23            1                0.931443
               17             6              18            6                0.907896
               17             6              24            1                0.943137
               17             6              25            1                0.928945
               18             6              19            6                0.910491
               18             6              26            1                0.942531
               18             6              27            1                0.934102
               19             6              28            1                0.940317
               19             6              29            1                0.930342
               30             6              31            6                0.889825
               30             6              34            6                0.908433
               30             6              35            1                0.951523
               30             6              36            1                0.944931
               31             6              32            6                0.910185
               31             6              37            1                0.938624
               31             6              38            1                0.931152
               32             6              33            6                0.907198
               32             6              39            1                0.932531
               32             6              40            1                0.937837
               33             6              34            6                0.912520
               33             6              41            1                0.933185
               33             6              42            1                0.936105
               34             6              43            1                0.934184
               34             6              44            1                0.941310
               45             6              46            6                0.924269
               45             6              49            6                0.922556
               45             6              50            1                0.938244
               45             6              51            1                0.944885
               46             6              47            6                0.926312
               46             6              52            1                0.938375
               46             6              53            1                0.937407
               47             6              48            6                0.926190
               47             6              54            1                0.943043
               47             6              55            1                0.938473
               48             6              49            6                0.914503
               48             6              56            1                0.942260
               48             6              57            1                0.932977
               49             6              58            1                0.936533
               49             6              59            1                0.934516
               60             6              61            6                0.898845
               60             6              64            6                0.914871
               60             6              65            1                0.938591
               60             6              66            1                0.951941
               61             6              62            6                0.905436
               61             6              67            1                0.934041
               61             6              68            1                0.940646
               62             6              63            6                0.903415
               62             6              69            1                0.936434
               62             6              70            1                0.935210
               63             6              64            6                0.920307
               63             6              71            1                0.943303
               63             6              72            1                0.936587
               64             6              73            1                0.940076
               64             6              74            1                0.930741
               75             6              76            6                0.921900
               75             6              79            6                0.931778
               75             6              80            1                0.936910
               75             6              81            1                0.934278
               76             6              77            6                0.915444
               76             6              82            1                0.931060
               76             6              83            1                0.941580
               77             6              78            6                0.891456
               77             6              84            1                0.930898
               77             6              85            1                0.945231
               78             6              79            6                0.917499
               78             6              86            1                0.940088
               78             6              87            1                0.944187
               79             6              88            1                0.930911
               79             6              89            1                0.931789
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2305321419
        Correlation Energy:       -5.0749139150
        Total MP2 Energy:      -1176.3054460570
# -----------------------------------------------------------
$ 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) :        0.1205310524
        Electronic Contribution:
                  0    
      0       0.243850
      1      -0.095425
      2      -0.319085
        Nuclear Contribution:
                  0    
      0      -0.289202
      1       0.096401
      2       0.305269
        Total Dipole moment:
                  0    
      0      -0.045352
      1       0.000975
      2      -0.013816
# -----------------------------------------------------------
$ 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) :        0.1228460181
        Electronic Contribution:
                  0    
      0       0.242756
      1      -0.094135
      2      -0.318440
        Nuclear Contribution:
                  0    
      0      -0.289202
      1       0.096401
      2       0.305269
        Total Dipole moment:
                  0    
      0      -0.046446
      1       0.002266
      2      -0.013171
# -----------------------------------------------------------
$ 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) :        0.1567247574
        Electronic Contribution:
                  0    
      0       0.232102
      1      -0.073562
      2      -0.309727
        Nuclear Contribution:
                  0    
      0      -0.289202
      1       0.096401
      2       0.305269
        Total Dipole moment:
                  0    
      0      -0.057100
      1       0.022838
      2      -0.004458
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     16.520000000000   21.020000000000   18.190000000000
               1 C     15.360000000000   20.170000000000   18.870000000000
               2 C     15.990000000000   19.050000000000   19.680000000000
               3 C     17.510000000000   19.100000000000   19.490000000000
               4 C     17.820000000000   20.210000000000   18.460000000000
               5 H     16.460000000000   22.060000000000   18.580000000000
               6 H     16.370000000000   21.010000000000   17.070000000000
               7 H     14.670000000000   19.800000000000   18.120000000000
               8 H     14.700000000000   20.740000000000   19.550000000000
               9 H     15.560000000000   18.060000000000   19.410000000000
              10 H     15.630000000000   19.110000000000   20.720000000000
              11 H     17.850000000000   18.170000000000   19.040000000000
              12 H     17.950000000000   19.300000000000   20.460000000000
              13 H     18.180000000000   19.920000000000   17.480000000000
              14 H     18.540000000000   21.000000000000   18.850000000000
              15 C     18.350000000000   26.580000000000   17.740000000000
              16 C     19.700000000000   26.560000000000   17.040000000000
              17 C     20.300000000000   25.120000000000   17.220000000000
              18 C     19.430000000000   24.470000000000   18.330000000000
              19 C     18.070000000000   25.240000000000   18.330000000000
              20 H     17.470000000000   26.870000000000   17.150000000000
              21 H     18.360000000000   27.210000000000   18.620000000000
              22 H     20.330000000000   27.320000000000   17.420000000000
              23 H     19.630000000000   26.820000000000   15.960000000000
              24 H     21.310000000000   25.160000000000   17.570000000000
              25 H     20.150000000000   24.470000000000   16.320000000000
              26 H     20.020000000000   24.630000000000   19.210000000000
              27 H     19.290000000000   23.400000000000   18.180000000000
              28 H     17.750000000000   25.320000000000   19.350000000000
              29 H     17.350000000000   24.660000000000   17.730000000000
              30 C     21.320000000000   19.260000000000   20.030000000000
              31 C     21.520000000000   19.490000000000   21.560000000000
              32 C     22.480000000000   20.700000000000   21.590000000000
              33 C     22.860000000000   21.250000000000   20.170000000000
              34 C     21.960000000000   20.420000000000   19.190000000000
              35 H     20.240000000000   19.200000000000   19.890000000000
              36 H     21.770000000000   18.330000000000   19.800000000000
              37 H     22.030000000000   18.550000000000   21.820000000000
              38 H     20.550000000000   19.570000000000   22.090000000000
              39 H     23.350000000000   20.380000000000   22.210000000000
              40 H     22.050000000000   21.500000000000   22.220000000000
              41 H     23.950000000000   21.080000000000   19.970000000000
              42 H     22.680000000000   22.330000000000   20.100000000000
              43 H     22.630000000000   20.030000000000   18.420000000000
              44 H     21.160000000000   21.060000000000   18.850000000000
              45 C     16.830000000000   23.610000000000   22.070000000000
              46 C     17.850000000000   24.230000000000   23.030000000000
              47 C     19.250000000000   23.600000000000   22.700000000000
              48 C     19.000000000000   22.300000000000   21.920000000000
              49 C     17.620000000000   22.600000000000   21.250000000000
              50 H     16.340000000000   24.380000000000   21.450000000000
              51 H     15.980000000000   23.190000000000   22.530000000000
              52 H     17.480000000000   24.000000000000   24.050000000000
              53 H     17.870000000000   25.320000000000   23.070000000000
              54 H     19.860000000000   23.500000000000   23.530000000000
              55 H     19.780000000000   24.310000000000   22.070000000000
              56 H     19.000000000000   21.520000000000   22.640000000000
              57 H     19.690000000000   22.010000000000   21.160000000000
              58 H     17.000000000000   21.690000000000   21.110000000000
              59 H     17.790000000000   22.940000000000   20.230000000000
              60 C     18.440000000000   17.690000000000   15.370000000000
              61 C     17.660000000000   16.910000000000   16.450000000000
              62 C     16.170000000000   17.150000000000   16.050000000000
              63 C     16.070000000000   18.390000000000   15.060000000000
              64 C     17.540000000000   18.660000000000   14.650000000000
              65 H     18.950000000000   16.980000000000   14.750000000000
              66 H     19.230000000000   18.200000000000   15.820000000000
              67 H     17.960000000000   17.310000000000   17.430000000000
              68 H     17.980000000000   15.880000000000   16.340000000000
              69 H     15.520000000000   17.410000000000   16.910000000000
              70 H     15.810000000000   16.220000000000   15.620000000000
              71 H     15.620000000000   19.220000000000   15.630000000000
              72 H     15.500000000000   18.270000000000   14.170000000000
              73 H     17.810000000000   19.680000000000   14.950000000000
              74 H     17.660000000000   18.450000000000   13.560000000000
              75 C     14.270000000000   13.060000000000   19.340000000000
              76 C     14.480000000000   14.390000000000   18.640000000000
              77 C     15.210000000000   14.100000000000   17.320000000000
              78 C     15.840000000000   12.700000000000   17.480000000000
              79 C     15.300000000000   12.060000000000   18.840000000000
              80 H     13.240000000000   12.740000000000   19.140000000000
              81 H     14.340000000000   13.190000000000   20.430000000000
              82 H     15.060000000000   15.130000000000   19.280000000000
              83 H     13.530000000000   14.900000000000   18.540000000000
              84 H     16.060000000000   14.740000000000   17.100000000000
              85 H     14.460000000000   14.050000000000   16.570000000000
              86 H     16.950000000000   12.710000000000   17.440000000000
              87 H     15.540000000000   12.230000000000   16.570000000000
              88 H     16.150000000000   12.040000000000   19.590000000000
              89 H     14.940000000000   11.030000000000   18.660000000000
