-------------------------------------------------------------
----------------------- !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:    -1171.1841307404
# -----------------------------------------------------------
$ 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     6.1115     6.0000    -0.1115     3.9008     3.9008    -0.0000
  1   0     6.1765     6.0000    -0.1765     3.8765     3.8765    -0.0000
  2   0     6.2002     6.0000    -0.2002     3.8998     3.8998     0.0000
  3   0     6.0851     6.0000    -0.0851     3.8566     3.8566     0.0000
  4   0     6.2013     6.0000    -0.2013     3.9204     3.9204    -0.0000
  5   0     0.9306     1.0000     0.0694     0.9853     0.9853    -0.0000
  6   0     0.9391     1.0000     0.0609     0.9958     0.9958    -0.0000
  7   0     0.9238     1.0000     0.0762     0.9779     0.9779    -0.0000
  8   0     0.9080     1.0000     0.0920     0.9685     0.9685    -0.0000
  9   0     0.9115     1.0000     0.0885     0.9737     0.9737     0.0000
 10   0     0.9230     1.0000     0.0770     0.9780     0.9780     0.0000
 11   0     0.9188     1.0000     0.0812     0.9867     0.9867    -0.0000
 12   0     0.9305     1.0000     0.0695     0.9768     0.9768     0.0000
 13   0     0.9248     1.0000     0.0752     0.9768     0.9768     0.0000
 14   0     0.9139     1.0000     0.0861     0.9715     0.9715    -0.0000
 15   0     6.1538     6.0000    -0.1538     3.8867     3.8867     0.0000
 16   0     6.1140     6.0000    -0.1140     3.8638     3.8638    -0.0000
 17   0     6.1976     6.0000    -0.1976     3.8933     3.8933     0.0000
 18   0     6.1351     6.0000    -0.1351     3.9045     3.9045     0.0000
 19   0     6.1973     6.0000    -0.1973     3.8757     3.8757     0.0000
 20   0     0.9288     1.0000     0.0712     0.9835     0.9835    -0.0000
 21   0     0.9146     1.0000     0.0854     0.9692     0.9692    -0.0000
 22   0     0.9682     1.0000     0.0318     1.0071     1.0071    -0.0000
 23   0     0.9069     1.0000     0.0931     0.9670     0.9670    -0.0000
 24   0     0.8836     1.0000     0.1164     0.9670     0.9670    -0.0000
 25   0     0.9239     1.0000     0.0761     0.9717     0.9717    -0.0000
 26   0     0.9124     1.0000     0.0876     0.9843     0.9843     0.0000
 27   0     0.9186     1.0000     0.0814     0.9774     0.9774     0.0000
 28   0     0.9226     1.0000     0.0774     0.9746     0.9746     0.0000
 29   0     0.9232     1.0000     0.0768     0.9741     0.9741    -0.0000
 30   0     6.1780     6.0000    -0.1780     3.9014     3.9014     0.0000
 31   0     6.0680     6.0000    -0.0680     3.8530     3.8530     0.0000
 32   0     6.1786     6.0000    -0.1786     3.9033     3.9033    -0.0000
 33   0     6.1741     6.0000    -0.1741     3.8912     3.8912    -0.0000
 34   0     6.1676     6.0000    -0.1676     3.8861     3.8861    -0.0000
 35   0     0.9222     1.0000     0.0778     0.9744     0.9744     0.0000
 36   0     0.9139     1.0000     0.0861     0.9714     0.9714    -0.0000
 37   0     0.9605     1.0000     0.0395     0.9939     0.9939     0.0000
 38   0     0.9325     1.0000     0.0675     0.9781     0.9781     0.0000
 39   0     0.9277     1.0000     0.0723     0.9757     0.9757    -0.0000
 40   0     0.9175     1.0000     0.0825     0.9746     0.9746     0.0000
 41   0     0.9120     1.0000     0.0880     0.9725     0.9725    -0.0000
 42   0     0.9183     1.0000     0.0817     0.9773     0.9773    -0.0000
 43   0     0.9263     1.0000     0.0737     0.9721     0.9721     0.0000
 44   0     0.9026     1.0000     0.0974     0.9698     0.9698    -0.0000
 45   0     6.1471     6.0000    -0.1471     3.8133     3.8133     0.0000
 46   0     6.2098     6.0000    -0.2098     3.9099     3.9099     0.0000
 47   0     6.1326     6.0000    -0.1326     3.9008     3.9008     0.0000
 48   0     6.1393     6.0000    -0.1393     3.8847     3.8847     0.0000
 49   0     6.1991     6.0000    -0.1991     3.8787     3.8787    -0.0000
 50   0     0.9174     1.0000     0.0826     0.9736     0.9736     0.0000
 51   0     0.9395     1.0000     0.0605     0.9807     0.9807     0.0000
 52   0     0.9163     1.0000     0.0837     0.9715     0.9715     0.0000
 53   0     0.9037     1.0000     0.0963     0.9754     0.9754     0.0000
 54   0     0.9243     1.0000     0.0757     0.9773     0.9773    -0.0000
 55   0     0.9087     1.0000     0.0913     0.9767     0.9767    -0.0000
 56   0     0.9206     1.0000     0.0794     0.9793     0.9793     0.0000
 57   0     0.9149     1.0000     0.0851     0.9753     0.9753     0.0000
 58   0     0.9079     1.0000     0.0921     0.9726     0.9726    -0.0000
 59   0     0.9184     1.0000     0.0816     0.9862     0.9862    -0.0000
 60   0     6.1860     6.0000    -0.1860     3.8959     3.8959     0.0000
 61   0     6.1808     6.0000    -0.1808     3.8902     3.8902     0.0000
 62   0     6.1723     6.0000    -0.1723     3.8808     3.8808     0.0000
 63   0     6.1905     6.0000    -0.1905     3.8964     3.8964     0.0000
 64   0     6.1122     6.0000    -0.1122     3.8531     3.8531    -0.0000
 65   0     0.9138     1.0000     0.0862     0.9697     0.9697    -0.0000
 66   0     0.9193     1.0000     0.0807     0.9702     0.9702     0.0000
 67   0     0.9047     1.0000     0.0953     0.9727     0.9727     0.0000
 68   0     0.9172     1.0000     0.0828     0.9758     0.9758    -0.0000
 69   0     0.9154     1.0000     0.0846     0.9742     0.9742    -0.0000
 70   0     0.9100     1.0000     0.0900     0.9735     0.9735    -0.0000
 71   0     0.9107     1.0000     0.0893     0.9769     0.9769     0.0000
 72   0     0.9235     1.0000     0.0765     0.9741     0.9741    -0.0000
 73   0     0.9242     1.0000     0.0758     0.9873     0.9873    -0.0000
 74   0     0.9202     1.0000     0.0798     0.9780     0.9780    -0.0000
 75   0     6.1509     6.0000    -0.1509     3.9074     3.9074     0.0000
 76   0     6.1710     6.0000    -0.1710     3.8928     3.8928     0.0000
 77   0     6.1533     6.0000    -0.1533     3.8879     3.8879     0.0000
 78   0     6.1799     6.0000    -0.1799     3.9141     3.9141    -0.0000
 79   0     6.1495     6.0000    -0.1495     3.9053     3.9053     0.0000
 80   0     0.9039     1.0000     0.0961     0.9716     0.9716     0.0000
 81   0     0.9295     1.0000     0.0705     0.9817     0.9817     0.0000
 82   0     0.9102     1.0000     0.0898     0.9748     0.9748     0.0000
 83   0     0.9244     1.0000     0.0756     0.9756     0.9756     0.0000
 84   0     0.9438     1.0000     0.0562     0.9798     0.9798    -0.0000
 85   0     0.9071     1.0000     0.0929     0.9762     0.9762    -0.0000
 86   0     0.9109     1.0000     0.0891     0.9748     0.9748    -0.0000
 87   0     0.9208     1.0000     0.0792     0.9756     0.9756    -0.0000
 88   0     0.9289     1.0000     0.0711     0.9741     0.9741     0.0000
 89   0     0.9165     1.0000     0.0835     0.9772     0.9772     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                0.964620
                0             6               4            6                0.985761
                0             6               5            1                1.003295
                0             6               6            1                0.991879
                1             6               2            6                0.964006
                1             6               7            1                0.999972
                1             6               8            1                0.992780
                2             6               3            6                0.969962
                2             6               9            1                0.989114
                2             6              10            1                0.994262
                3             6               4            6                0.950940
                3             6              11            1                0.998339
                3             6              12            1                1.001473
                4             6              13            1                0.996952
                4             6              14            1                1.000389
               15             6              16            6                0.968450
               15             6              19            6                0.953317
               15             6              20            1                1.002178
               15             6              21            1                0.995630
               16             6              17            6                0.957581
               16             6              22            1                0.993001
               16             6              23            1                0.989795
               17             6              18            6                0.975792
               17             6              24            1                0.978565
               17             6              25            1                1.005251
               18             6              19            6                0.967846
               18             6              26            1                0.993478
               18             6              27            1                0.994634
               19             6              28            1                0.994532
               19             6              29            1                0.999118
               30             6              31            6                0.967291
               30             6              34            6                0.967420
               30             6              35            1                1.000307
               30             6              36            1                0.989872
               31             6              32            6                0.963953
               31             6              37            1                0.984763
               31             6              38            1                0.992477
               32             6              33            6                0.972684
               32             6              39            1                0.997754
               32             6              40            1                0.994453
               33             6              34            6                0.963605
               33             6              41            1                0.993330
               33             6              42            1                0.990308
               34             6              43            1                0.996419
               34             6              44            1                0.983316
               45             6              46            6                0.952790
               45             6              49            6                0.944614
               45             6              50            1                0.993882
               45             6              51            1                1.002130
               46             6              47            6                0.981279
               46             6              52            1                0.997782
               46             6              53            1                0.984833
               47             6              48            6                0.971067
               47             6              54            1                0.998162
               47             6              55            1                0.983213
               48             6              49            6                0.965576
               48             6              56            1                0.996441
               48             6              57            1                0.992634
               49             6              58            1                0.982019
               49             6              59            1                0.999038
               60             6              61            6                0.967173
               60             6              64            6                0.964530
               60             6              65            1                0.990941
               60             6              66            1                0.995647
               61             6              62            6                0.966574
               61             6              67            1                0.987540
               61             6              68            1                0.996660
               62             6              63            6                0.968443
               62             6              69            1                0.988530
               62             6              70            1                0.993642
               63             6              64            6                0.961249
               63             6              71            1                0.991450
               63             6              72            1                0.994525
               64             6              73            1                0.995026
               64             6              74            1                0.990646
               75             6              76            6                0.975852
               75             6              79            6                0.971054
               75             6              80            1                0.979879
               75             6              81            1                1.000326
               76             6              77            6                0.965783
               76             6              82            1                0.989040
               76             6              83            1                0.986303
               77             6              78            6                0.975448
               77             6              84            1                0.995892
               77             6              85            1                0.986347
               78             6              79            6                0.977123
               78             6              86            1                0.987687
               78             6              87            1                0.990081
               79             6              88            1                0.994895
               79             6              89            1                0.991641
# -----------------------------------------------------------
$ 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     6.1192     6.0000    -0.1192     4.0062     3.6921     0.3141
  1   0     6.1842     6.0000    -0.1842     3.9874     3.6654     0.3220
  2   0     6.2080     6.0000    -0.2080     4.0106     3.6860     0.3246
  3   0     6.0927     6.0000    -0.0927     3.9618     3.6509     0.3109
  4   0     6.2099     6.0000    -0.2099     4.0317     3.7121     0.3196
  5   0     0.9267     1.0000     0.0733     0.9950     0.9411     0.0539
  6   0     0.9349     1.0000     0.0651     1.0056     0.9521     0.0535
  7   0     0.9197     1.0000     0.0803     0.9874     0.9343     0.0531
  8   0     0.9043     1.0000     0.0957     0.9781     0.9242     0.0539
  9   0     0.9075     1.0000     0.0925     0.9827     0.9316     0.0511
 10   0     0.9192     1.0000     0.0808     0.9875     0.9323     0.0552
 11   0     0.9150     1.0000     0.0850     0.9965     0.9469     0.0496
 12   0     0.9265     1.0000     0.0735     0.9866     0.9347     0.0519
 13   0     0.9209     1.0000     0.0791     0.9863     0.9336     0.0527
 14   0     0.9099     1.0000     0.0901     0.9804     0.9304     0.0500
 15   0     6.1616     6.0000    -0.1616     3.9953     3.6836     0.3117
 16   0     6.1224     6.0000    -0.1224     3.9728     3.6492     0.3236
 17   0     6.2049     6.0000    -0.2049     4.0046     3.6823     0.3223
 18   0     6.1425     6.0000    -0.1425     4.0102     3.6960     0.3142
 19   0     6.2052     6.0000    -0.2052     3.9862     3.6628     0.3234
 20   0     0.9249     1.0000     0.0751     0.9931     0.9430     0.0501
 21   0     0.9107     1.0000     0.0893     0.9786     0.9268     0.0518
 22   0     0.9639     1.0000     0.0361     1.0178     0.9621     0.0557
 23   0     0.9027     1.0000     0.0973     0.9759     0.9227     0.0532
 24   0     0.8798     1.0000     0.1202     0.9753     0.9263     0.0490
 25   0     0.9201     1.0000     0.0799     0.9815     0.9261     0.0554
 26   0     0.9087     1.0000     0.0913     0.9937     0.9444     0.0493
 27   0     0.9147     1.0000     0.0853     0.9866     0.9356     0.0510
 28   0     0.9189     1.0000     0.0811     0.9843     0.9302     0.0541
 29   0     0.9194     1.0000     0.0806     0.9836     0.9320     0.0516
 30   0     6.1862     6.0000    -0.1862     4.0109     3.6932     0.3177
 31   0     6.0754     6.0000    -0.0754     3.9550     3.6427     0.3123
 32   0     6.1864     6.0000    -0.1864     4.0120     3.6952     0.3168
 33   0     6.1820     6.0000    -0.1820     4.0008     3.6818     0.3190
 34   0     6.1757     6.0000    -0.1757     3.9955     3.6752     0.3203
 35   0     0.9182     1.0000     0.0818     0.9840     0.9313     0.0527
 36   0     0.9099     1.0000     0.0901     0.9805     0.9285     0.0520
 37   0     0.9573     1.0000     0.0427     1.0057     0.9519     0.0538
 38   0     0.9283     1.0000     0.0717     0.9876     0.9351     0.0525
 39   0     0.9239     1.0000     0.0761     0.9857     0.9313     0.0544
 40   0     0.9133     1.0000     0.0867     0.9838     0.9351     0.0487
 41   0     0.9081     1.0000     0.0919     0.9815     0.9297     0.0518
 42   0     0.9144     1.0000     0.0856     0.9868     0.9340     0.0528
 43   0     0.9224     1.0000     0.0776     0.9818     0.9269     0.0549
 44   0     0.8986     1.0000     0.1014     0.9785     0.9272     0.0513
 45   0     6.1545     6.0000    -0.1545     3.9247     3.5998     0.3249
 46   0     6.2178     6.0000    -0.2178     4.0218     3.6917     0.3301
 47   0     6.1399     6.0000    -0.1399     4.0053     3.6947     0.3106
 48   0     6.1475     6.0000    -0.1475     3.9928     3.6727     0.3201
 49   0     6.2063     6.0000    -0.2063     3.9917     3.6636     0.3281
 50   0     0.9135     1.0000     0.0865     0.9832     0.9291     0.0541
 51   0     0.9357     1.0000     0.0643     0.9912     0.9352     0.0560
 52   0     0.9126     1.0000     0.0874     0.9808     0.9254     0.0554
 53   0     0.9000     1.0000     0.1000     0.9843     0.9305     0.0538
 54   0     0.9204     1.0000     0.0796     0.9868     0.9359     0.0509
 55   0     0.9050     1.0000     0.0950     0.9859     0.9347     0.0512
 56   0     0.9168     1.0000     0.0832     0.9887     0.9369     0.0518
 57   0     0.9111     1.0000     0.0889     0.9848     0.9326     0.0522
 58   0     0.9040     1.0000     0.0960     0.9816     0.9271     0.0545
 59   0     0.9144     1.0000     0.0856     0.9951     0.9443     0.0508
 60   0     6.1941     6.0000    -0.1941     4.0064     3.6820     0.3244
 61   0     6.1879     6.0000    -0.1879     4.0005     3.6750     0.3255
 62   0     6.1796     6.0000    -0.1796     3.9916     3.6653     0.3263
 63   0     6.1977     6.0000    -0.1977     4.0069     3.6818     0.3251
 64   0     6.1197     6.0000    -0.1197     3.9594     3.6452     0.3142
 65   0     0.9100     1.0000     0.0900     0.9790     0.9227     0.0563
 66   0     0.9156     1.0000     0.0844     0.9797     0.9258     0.0539
 67   0     0.9011     1.0000     0.0989     0.9818     0.9279     0.0539
 68   0     0.9136     1.0000     0.0864     0.9855     0.9330     0.0525
 69   0     0.9118     1.0000     0.0882     0.9838     0.9293     0.0545
 70   0     0.9062     1.0000     0.0938     0.9827     0.9313     0.0514
 71   0     0.9070     1.0000     0.0930     0.9862     0.9381     0.0481
 72   0     0.9198     1.0000     0.0802     0.9839     0.9296     0.0543
 73   0     0.9204     1.0000     0.0796     0.9969     0.9440     0.0529
 74   0     0.9162     1.0000     0.0838     0.9873     0.9369     0.0504
 75   0     6.1583     6.0000    -0.1583     4.0142     3.6960     0.3182
 76   0     6.1794     6.0000    -0.1794     4.0042     3.6771     0.3271
 77   0     6.1598     6.0000    -0.1598     3.9950     3.6737     0.3213
 78   0     6.1885     6.0000    -0.1885     4.0259     3.6990     0.3269
 79   0     6.1570     6.0000    -0.1570     4.0107     3.7004     0.3103
 80   0     0.9000     1.0000     0.1000     0.9806     0.9278     0.0528
 81   0     0.9259     1.0000     0.0741     0.9917     0.9398     0.0519
 82   0     0.9062     1.0000     0.0938     0.9839     0.9303     0.0536
 83   0     0.9205     1.0000     0.0795     0.9854     0.9311     0.0543
 84   0     0.9406     1.0000     0.0594     0.9914     0.9346     0.0568
 85   0     0.9030     1.0000     0.0970     0.9851     0.9339     0.0512
 86   0     0.9071     1.0000     0.0929     0.9840     0.9315     0.0525
 87   0     0.9170     1.0000     0.0830     0.9852     0.9325     0.0527
 88   0     0.9251     1.0000     0.0749     0.9841     0.9323     0.0518
 89   0     0.9125     1.0000     0.0875     0.9864     0.9379     0.0485
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.905039
                0             6               4            6                0.924942
                0             6               5            1                0.960024
                0             6               6            1                0.949794
                1             6               2            6                0.900800
                1             6               7            1                0.957364
                1             6               8            1                0.949692
                2             6               3            6                0.908279
                2             6               9            1                0.948357
                2             6              10            1                0.949765
                3             6               4            6                0.889192
                3             6              11            1                0.959567
                3             6              12            1                0.959893
                4             6              13            1                0.954822
                4             6              14            1                0.960338
               15             6              16            6                0.907998
               15             6              19            6                0.893494
               15             6              20            1                0.962902
               15             6              21            1                0.954581
               16             6              17            6                0.894880
               16             6              22            1                0.949217
               16             6              23            1                0.946185
               17             6              18            6                0.915508
               17             6              24            1                0.939568
               17             6              25            1                0.960113
               18             6              19            6                0.902007
               18             6              26            1                0.955062
               18             6              27            1                0.954028
               19             6              28            1                0.951403
               19             6              29            1                0.958184
               30             6              31            6                0.905664
               30             6              34            6                0.907093
               30             6              35            1                0.958367
               30             6              36            1                0.948377
               31             6              32            6                0.901124
               31             6              37            1                0.944016
               31             6              38            1                0.950623
               32             6              33            6                0.911938
               32             6              39            1                0.954470
               32             6              40            1                0.956254
               33             6              34            6                0.902090
               33             6              41            1                0.951839
               33             6              42            1                0.948403
               34             6              43            1                0.952352
               34             6              44            1                0.942290
               45             6              46            6                0.888418
               45             6              49            6                0.885100
               45             6              50            1                0.950645
               45             6              51            1                0.957588
               46             6              47            6                0.919722
               46             6              52            1                0.952856
               46             6              53            1                0.941668
               47             6              48            6                0.910984
               47             6              54            1                0.957813
               47             6              55            1                0.942833
               48             6              49            6                0.899327
               48             6              56            1                0.955339
               48             6              57            1                0.951199
               49             6              58            1                0.937997
               49             6              59            1                0.958237
               60             6              61            6                0.903593
               60             6              64            6                0.906405
               60             6              65            1                0.945571
               60             6              66            1                0.952364
               61             6              62            6                0.903682
               61             6              67            1                0.944286
               61             6              68            1                0.954966
               62             6              63            6                0.903358
               62             6              69            1                0.945113
               62             6              70            1                0.952684
               63             6              64            6                0.896298
               63             6              71            1                0.953952
               63             6              72            1                0.951218
               64             6              73            1                0.952886
               64             6              74            1                0.950689
               75             6              76            6                0.911240
               75             6              79            6                0.911110
               75             6              80            1                0.937722
               75             6              81            1                0.959510
               76             6              77            6                0.904330
               76             6              82            1                0.946130
               76             6              83            1                0.943370
               77             6              78            6                0.910976
               77             6              84            1                0.951916
               77             6              85            1                0.945771
               78             6              79            6                0.914066
               78             6              86            1                0.945847
               78             6              87            1                0.948434
               79             6              88            1                0.954393
               79             6              89            1                0.953732
# -----------------------------------------------------------
$ 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     6.1826     6.0000    -0.1826     3.9868     3.6769     0.3099
  1   0     6.2354     6.0000    -0.2354     3.9713     3.6538     0.3175
  2   0     6.2505     6.0000    -0.2505     3.9806     3.6605     0.3201
  3   0     6.1612     6.0000    -0.1612     3.9477     3.6407     0.3070
  4   0     6.2656     6.0000    -0.2656     4.0039     3.6885     0.3154
  5   0     0.8965     1.0000     0.1035     0.9862     0.9337     0.0525
  6   0     0.9049     1.0000     0.0951     1.0007     0.9485     0.0522
  7   0     0.8931     1.0000     0.1069     0.9791     0.9272     0.0519
  8   0     0.8784     1.0000     0.1216     0.9752     0.9226     0.0526
  9   0     0.8847     1.0000     0.1153     0.9778     0.9278     0.0500
 10   0     0.8903     1.0000     0.1097     0.9803     0.9265     0.0538
 11   0     0.8861     1.0000     0.1139     0.9893     0.9409     0.0484
 12   0     0.8981     1.0000     0.1019     0.9793     0.9286     0.0507
 13   0     0.8912     1.0000     0.1088     0.9775     0.9260     0.0515
 14   0     0.8833     1.0000     0.1167     0.9745     0.9256     0.0489
 15   0     6.2119     6.0000    -0.2119     3.9683     3.6607     0.3076
 16   0     6.2004     6.0000    -0.2004     3.9794     3.6598     0.3196
 17   0     6.2542     6.0000    -0.2542     3.9896     3.6716     0.3180
 18   0     6.1899     6.0000    -0.1899     3.9911     3.6808     0.3103
 19   0     6.2523     6.0000    -0.2523     3.9627     3.6434     0.3193
 20   0     0.8945     1.0000     0.1055     0.9827     0.9338     0.0489
 21   0     0.8869     1.0000     0.1131     0.9724     0.9216     0.0508
 22   0     0.9172     1.0000     0.0828     0.9987     0.9447     0.0540
 23   0     0.8798     1.0000     0.1202     0.9701     0.9181     0.0520
 24   0     0.8600     1.0000     0.1400     0.9719     0.9239     0.0480
 25   0     0.8890     1.0000     0.1110     0.9699     0.9157     0.0542
 26   0     0.8871     1.0000     0.1129     0.9858     0.9374     0.0484
 27   0     0.8908     1.0000     0.1092     0.9794     0.9294     0.0500
 28   0     0.8927     1.0000     0.1073     0.9754     0.9224     0.0530
 29   0     0.8928     1.0000     0.1072     0.9753     0.9248     0.0505
 30   0     6.2291     6.0000    -0.2291     3.9827     3.6694     0.3133
 31   0     6.1448     6.0000    -0.1448     3.9423     3.6340     0.3083
 32   0     6.2352     6.0000    -0.2352     3.9794     3.6667     0.3127
 33   0     6.2300     6.0000    -0.2300     3.9817     3.6669     0.3148
 34   0     6.2261     6.0000    -0.2261     3.9841     3.6680     0.3161
 35   0     0.8938     1.0000     0.1062     0.9769     0.9253     0.0516
 36   0     0.8852     1.0000     0.1148     0.9755     0.9247     0.0508
 37   0     0.9228     1.0000     0.0772     1.0051     0.9527     0.0524
 38   0     0.9013     1.0000     0.0987     0.9795     0.9281     0.0514
 39   0     0.8950     1.0000     0.1050     0.9790     0.9259     0.0531
 40   0     0.8876     1.0000     0.1124     0.9775     0.9299     0.0476
 41   0     0.8835     1.0000     0.1165     0.9756     0.9249     0.0507
 42   0     0.8897     1.0000     0.1103     0.9779     0.9261     0.0518
 43   0     0.8948     1.0000     0.1052     0.9755     0.9218     0.0537
 44   0     0.8797     1.0000     0.1203     0.9736     0.9232     0.0504
 45   0     6.2130     6.0000    -0.2130     3.9191     3.5987     0.3204
 46   0     6.2525     6.0000    -0.2525     3.9941     3.6686     0.3255
 47   0     6.1984     6.0000    -0.1984     3.9942     3.6876     0.3066
 48   0     6.1995     6.0000    -0.1995     3.9783     3.6622     0.3161
 49   0     6.2528     6.0000    -0.2528     3.9771     3.6536     0.3235
 50   0     0.8875     1.0000     0.1125     0.9753     0.9224     0.0529
 51   0     0.9058     1.0000     0.0942     0.9837     0.9290     0.0547
 52   0     0.8894     1.0000     0.1106     0.9743     0.9199     0.0544
 53   0     0.8786     1.0000     0.1214     0.9772     0.9243     0.0529
 54   0     0.8935     1.0000     0.1065     0.9781     0.9283     0.0498
 55   0     0.8822     1.0000     0.1178     0.9786     0.9284     0.0502
 56   0     0.8915     1.0000     0.1085     0.9812     0.9305     0.0507
 57   0     0.8878     1.0000     0.1122     0.9781     0.9269     0.0512
 58   0     0.8809     1.0000     0.1191     0.9761     0.9226     0.0535
 59   0     0.8862     1.0000     0.1138     0.9845     0.9349     0.0496
 60   0     6.2350     6.0000    -0.2350     3.9920     3.6724     0.3196
 61   0     6.2358     6.0000    -0.2358     3.9905     3.6690     0.3215
 62   0     6.2287     6.0000    -0.2287     3.9864     3.6642     0.3222
 63   0     6.2450     6.0000    -0.2450     3.9882     3.6672     0.3210
 64   0     6.1809     6.0000    -0.1809     3.9540     3.6437     0.3103
 65   0     0.8878     1.0000     0.1122     0.9720     0.9167     0.0553
 66   0     0.8906     1.0000     0.1094     0.9724     0.9195     0.0529
 67   0     0.8792     1.0000     0.1208     0.9735     0.9206     0.0529
 68   0     0.8881     1.0000     0.1119     0.9744     0.9230     0.0514
 69   0     0.8870     1.0000     0.1130     0.9750     0.9215     0.0535
 70   0     0.8823     1.0000     0.1177     0.9732     0.9228     0.0504
 71   0     0.8840     1.0000     0.1160     0.9801     0.9330     0.0471
 72   0     0.8932     1.0000     0.1068     0.9744     0.9212     0.0532
 73   0     0.8914     1.0000     0.1086     0.9878     0.9362     0.0516
 74   0     0.8913     1.0000     0.1087     0.9788     0.9294     0.0494
 75   0     6.2040     6.0000    -0.2040     3.9957     3.6817     0.3140
 76   0     6.2244     6.0000    -0.2244     3.9918     3.6691     0.3227
 77   0     6.2115     6.0000    -0.2115     3.9908     3.6738     0.3170
 78   0     6.2310     6.0000    -0.2310     4.0030     3.6803     0.3227
 79   0     6.2111     6.0000    -0.2111     4.0004     3.6941     0.3063
 80   0     0.8810     1.0000     0.1190     0.9745     0.9226     0.0519
 81   0     0.8986     1.0000     0.1014     0.9849     0.9342     0.0507
 82   0     0.8830     1.0000     0.1170     0.9774     0.9249     0.0525
 83   0     0.8978     1.0000     0.1022     0.9768     0.9235     0.0533
 84   0     0.9120     1.0000     0.0880     0.9868     0.9313     0.0555
 85   0     0.8809     1.0000     0.1191     0.9762     0.9260     0.0502
 86   0     0.8839     1.0000     0.1161     0.9758     0.9244     0.0514
 87   0     0.8931     1.0000     0.1069     0.9769     0.9251     0.0518
 88   0     0.8996     1.0000     0.1004     0.9777     0.9270     0.0507
 89   0     0.8881     1.0000     0.1119     0.9781     0.9307     0.0474
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.919848
                0             6               4            6                0.925143
                0             6               5            1                0.944164
                0             6               6            1                0.934570
                1             6               2            6                0.904546
                1             6               7            1                0.940824
                1             6               8            1                0.935299
                2             6               3            6                0.913622
                2             6               9            1                0.934610
                2             6              10            1                0.935838
                3             6               4            6                0.893704
                3             6              11            1                0.946605
                3             6              12            1                0.949286
                4             6              13            1                0.938526
                4             6              14            1                0.949522
               15             6              16            6                0.920522
               15             6              19            6                0.898789
               15             6              20            1                0.951690
               15             6              21            1                0.937297
               16             6              17            6                0.904452
               16             6              22            1                0.935746
               16             6              23            1                0.932631
               17             6              18            6                0.926776
               17             6              24            1                0.927944
               17             6              25            1                0.944201
               18             6              19            6                0.905515
               18             6              26            1                0.941106
               18             6              27            1                0.943929
               19             6              28            1                0.935407
               19             6              29            1                0.947527
               30             6              31            6                0.911081
               30             6              34            6                0.918901
               30             6              35            1                0.943330
               30             6              36            1                0.936185
               31             6              32            6                0.903673
               31             6              37            1                0.937175
               31             6              38            1                0.937266
               32             6              33            6                0.919682
               32             6              39            1                0.939786
               32             6              40            1                0.945459
               33             6              34            6                0.909864
               33             6              41            1                0.940563
               33             6              42            1                0.931962
               34             6              43            1                0.938715
               34             6              44            1                0.928159
               45             6              46            6                0.900429
               45             6              49            6                0.897079
               45             6              50            1                0.936699
               45             6              51            1                0.944568
               46             6              47            6                0.923413
               46             6              52            1                0.938534
               46             6              53            1                0.926194
               47             6              48            6                0.925324
               47             6              54            1                0.947045
               47             6              55            1                0.929505
               48             6              49            6                0.903426
               48             6              56            1                0.943778
               48             6              57            1                0.937077
               49             6              58            1                0.924069
               49             6              59            1                0.946768
               60             6              61            6                0.912164
               60             6              64            6                0.922567
               60             6              65            1                0.928431
               60             6              66            1                0.940137
               61             6              62            6                0.917939
               61             6              67            1                0.929863
               61             6              68            1                0.941130
               62             6              63            6                0.911173
               62             6              69            1                0.932813
               62             6              70            1                0.939171
               63             6              64            6                0.901105
               63             6              71            1                0.944545
               63             6              72            1                0.938560
               64             6              73            1                0.938953
               64             6              74            1                0.940851
               75             6              76            6                0.918940
               75             6              79            6                0.920675
               75             6              80            1                0.923786
               75             6              81            1                0.948954
               76             6              77            6                0.920671
               76             6              82            1                0.932528
               76             6              83            1                0.927874
               77             6              78            6                0.920053
               77             6              84            1                0.937369
               77             6              85            1                0.931734
               78             6              79            6                0.921690
               78             6              86            1                0.931315
               78             6              87            1                0.934657
               79             6              88            1                0.943465
               79             6              89            1                0.941575
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1841307404
        Correlation Energy:       -5.0649309840
        Total MP2 Energy:      -1176.2490617245
# -----------------------------------------------------------
$ 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) :        0.4031907379
        Electronic Contribution:
                  0    
      0       0.318155
      1       0.537852
      2       0.617777
        Nuclear Contribution:
                  0    
      0      -0.465937
      1      -0.578404
      2      -0.658738
        Total Dipole moment:
                  0    
      0      -0.147782
      1      -0.040552
      2      -0.040961
# -----------------------------------------------------------
$ 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) :        0.4053303468
        Electronic Contribution:
                  0    
      0       0.317769
      1       0.538272
      2       0.615551
        Nuclear Contribution:
                  0    
      0      -0.465937
      1      -0.578404
      2      -0.658738
        Total Dipole moment:
                  0    
      0      -0.148168
      1      -0.040132
      2      -0.043187
# -----------------------------------------------------------
$ 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) :        0.3747493613
        Electronic Contribution:
                  0    
      0       0.337767
      1       0.544462
      2       0.594259
        Nuclear Contribution:
                  0    
      0      -0.465937
      1      -0.578404
      2      -0.658738
        Total Dipole moment:
                  0    
      0      -0.128169
      1      -0.033942
      2      -0.064479
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     20.320000000000   20.660000000000   16.960000000000
               1 C     21.660000000000   20.980000000000   17.550000000000
               2 C     22.760000000000   20.570000000000   16.570000000000
               3 C     22.030000000000   20.060000000000   15.340000000000
               4 C     20.530000000000   20.240000000000   15.550000000000
               5 H     19.680000000000   21.540000000000   16.870000000000
               6 H     19.750000000000   19.970000000000   17.610000000000
               7 H     21.880000000000   20.400000000000   18.450000000000
               8 H     21.860000000000   22.020000000000   17.880000000000
               9 H     23.450000000000   19.860000000000   17.020000000000
              10 H     23.340000000000   21.490000000000   16.270000000000
              11 H     22.310000000000   19.080000000000   15.080000000000
              12 H     22.150000000000   20.730000000000   14.520000000000
              13 H     20.010000000000   19.300000000000   15.410000000000
              14 H     20.120000000000   20.880000000000   14.800000000000
              15 C     16.420000000000   21.460000000000   13.580000000000
              16 C     16.600000000000   21.200000000000   15.060000000000
              17 C     16.260000000000   22.520000000000   15.750000000000
              18 C     15.540000000000   23.420000000000   14.760000000000
              19 C     15.630000000000   22.710000000000   13.360000000000
              20 H     15.870000000000   20.720000000000   13.100000000000
              21 H     17.330000000000   21.510000000000   12.980000000000
              22 H     17.680000000000   20.980000000000   15.220000000000
              23 H     15.940000000000   20.350000000000   15.410000000000
              24 H     16.970000000000   22.910000000000   16.450000000000
              25 H     15.460000000000   22.170000000000   16.430000000000
              26 H     15.950000000000   24.370000000000   14.570000000000
              27 H     14.470000000000   23.460000000000   14.920000000000
              28 H     16.090000000000   23.350000000000   12.560000000000
              29 H     14.660000000000   22.470000000000   12.950000000000
              30 C     16.910000000000   19.180000000000   19.200000000000
              31 C     16.070000000000   19.190000000000   17.950000000000
              32 C     16.560000000000   17.970000000000   17.190000000000
              33 C     17.740000000000   17.320000000000   17.880000000000
              34 C     17.880000000000   18.030000000000   19.220000000000
              35 H     16.180000000000   19.040000000000   20.010000000000
              36 H     17.390000000000   20.160000000000   19.310000000000
              37 H     16.170000000000   20.040000000000   17.310000000000
              38 H     15.050000000000   18.950000000000   18.280000000000
              39 H     16.900000000000   18.330000000000   16.200000000000
              40 H     15.750000000000   17.330000000000   17.050000000000
              41 H     18.690000000000   17.350000000000   17.330000000000
              42 H     17.520000000000   16.240000000000   17.980000000000
              43 H     18.930000000000   18.420000000000   19.220000000000
              44 H     17.770000000000   17.450000000000   20.160000000000
              45 C     23.260000000000   24.570000000000   15.450000000000
              46 C     23.240000000000   25.510000000000   14.210000000000
              47 C     22.320000000000   26.640000000000   14.660000000000
              48 C     21.760000000000   26.320000000000   16.010000000000
              49 C     22.220000000000   24.870000000000   16.490000000000
              50 H     24.290000000000   24.560000000000   15.870000000000
              51 H     23.120000000000   23.540000000000   15.060000000000
              52 H     22.850000000000   24.780000000000   13.420000000000
              53 H     24.260000000000   25.870000000000   13.840000000000
              54 H     21.490000000000   26.640000000000   13.990000000000
              55 H     22.770000000000   27.640000000000   14.670000000000
              56 H     20.690000000000   26.390000000000   15.870000000000
              57 H     22.090000000000   26.960000000000   16.840000000000
              58 H     21.400000000000   24.070000000000   16.600000000000
              59 H     22.720000000000   24.910000000000   17.440000000000
              60 C     25.020000000000   18.170000000000   11.920000000000
              61 C     26.130000000000   17.160000000000   12.360000000000
              62 C     25.580000000000   16.390000000000   13.610000000000
              63 C     24.070000000000   16.830000000000   13.800000000000
              64 C     23.820000000000   17.990000000000   12.750000000000
              65 H     24.800000000000   18.110000000000   10.770000000000
              66 H     25.420000000000   19.200000000000   12.070000000000
              67 H     27.180000000000   17.570000000000   12.470000000000
              68 H     26.320000000000   16.490000000000   11.530000000000
              69 H     26.150000000000   16.560000000000   14.570000000000
              70 H     25.610000000000   15.310000000000   13.550000000000
              71 H     23.830000000000   17.050000000000   14.770000000000
              72 H     23.380000000000   15.990000000000   13.530000000000
              73 H     23.630000000000   18.940000000000   13.280000000000
              74 H     23.000000000000   17.710000000000   12.120000000000
              75 C     25.990000000000   21.060000000000   19.360000000000
              76 C     25.720000000000   22.610000000000   19.340000000000
              77 C     24.440000000000   22.830000000000   20.120000000000
              78 C     24.360000000000   21.600000000000   21.100000000000
              79 C     25.110000000000   20.450000000000   20.400000000000
              80 H     27.080000000000   20.750000000000   19.460000000000
              81 H     25.580000000000   20.660000000000   18.470000000000
              82 H     25.660000000000   23.000000000000   18.280000000000
              83 H     26.540000000000   23.160000000000   19.880000000000
              84 H     23.630000000000   22.830000000000   19.360000000000
              85 H     24.370000000000   23.820000000000   20.590000000000
              86 H     23.330000000000   21.300000000000   21.380000000000
              87 H     24.820000000000   21.890000000000   22.060000000000
              88 H     24.380000000000   19.800000000000   19.940000000000
              89 H     25.610000000000   19.930000000000   21.150000000000
