-------------------------------------------------------------
----------------------- !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:    -1171.2164518937
# -----------------------------------------------------------
$ 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     6.2008     6.0000    -0.2008     3.9104     3.9104    -0.0000
  1   0     6.1149     6.0000    -0.1149     3.9076     3.9076    -0.0000
  2   0     6.1985     6.0000    -0.1985     3.8855     3.8855     0.0000
  3   0     6.1237     6.0000    -0.1237     3.8909     3.8909    -0.0000
  4   0     6.1742     6.0000    -0.1742     3.8976     3.8976    -0.0000
  5   0     0.9174     1.0000     0.0826     0.9747     0.9747    -0.0000
  6   0     0.9116     1.0000     0.0884     0.9737     0.9737    -0.0000
  7   0     0.9240     1.0000     0.0760     0.9847     0.9847    -0.0000
  8   0     0.9120     1.0000     0.0880     0.9788     0.9788    -0.0000
  9   0     0.9323     1.0000     0.0677     0.9791     0.9791    -0.0000
 10   0     0.9094     1.0000     0.0906     0.9800     0.9800     0.0000
 11   0     0.9286     1.0000     0.0714     0.9864     0.9864    -0.0000
 12   0     0.9197     1.0000     0.0803     0.9753     0.9753     0.0000
 13   0     0.9145     1.0000     0.0855     0.9742     0.9742    -0.0000
 14   0     0.9205     1.0000     0.0795     0.9751     0.9751    -0.0000
 15   0     6.1918     6.0000    -0.1918     3.9213     3.9213    -0.0000
 16   0     6.1481     6.0000    -0.1481     3.8752     3.8752    -0.0000
 17   0     6.1632     6.0000    -0.1632     3.8486     3.8486     0.0000
 18   0     6.1772     6.0000    -0.1772     3.9149     3.9149    -0.0000
 19   0     6.1226     6.0000    -0.1226     3.9162     3.9162    -0.0000
 20   0     0.9215     1.0000     0.0785     0.9786     0.9786    -0.0000
 21   0     0.9078     1.0000     0.0922     0.9710     0.9710     0.0000
 22   0     0.9214     1.0000     0.0786     0.9822     0.9822    -0.0000
 23   0     0.9022     1.0000     0.0978     0.9672     0.9672     0.0000
 24   0     0.9333     1.0000     0.0667     0.9758     0.9758    -0.0000
 25   0     0.9282     1.0000     0.0718     0.9874     0.9874     0.0000
 26   0     0.9204     1.0000     0.0796     0.9714     0.9714    -0.0000
 27   0     0.9192     1.0000     0.0808     0.9727     0.9727     0.0000
 28   0     0.9182     1.0000     0.0818     0.9775     0.9775    -0.0000
 29   0     0.9169     1.0000     0.0831     0.9772     0.9772    -0.0000
 30   0     6.0913     6.0000    -0.0913     3.8522     3.8522    -0.0000
 31   0     6.1463     6.0000    -0.1463     3.9291     3.9291     0.0000
 32   0     6.1372     6.0000    -0.1372     3.9209     3.9209    -0.0000
 33   0     6.1430     6.0000    -0.1430     3.8470     3.8470     0.0000
 34   0     6.2903     6.0000    -0.2903     3.8803     3.8803    -0.0000
 35   0     0.9298     1.0000     0.0702     0.9813     0.9813    -0.0000
 36   0     0.9584     1.0000     0.0416     1.0204     1.0204    -0.0000
 37   0     0.9271     1.0000     0.0729     0.9742     0.9742     0.0000
 38   0     0.9016     1.0000     0.0984     0.9769     0.9769     0.0000
 39   0     0.9128     1.0000     0.0872     0.9753     0.9753    -0.0000
 40   0     0.9368     1.0000     0.0632     0.9828     0.9828    -0.0000
 41   0     0.9084     1.0000     0.0916     0.9726     0.9726     0.0000
 42   0     0.9114     1.0000     0.0886     0.9709     0.9709     0.0000
 43   0     0.8930     1.0000     0.1070     0.9579     0.9579     0.0000
 44   0     0.9123     1.0000     0.0877     0.9697     0.9697    -0.0000
 45   0     6.2244     6.0000    -0.2244     3.8768     3.8768    -0.0000
 46   0     6.1085     6.0000    -0.1085     3.8633     3.8633    -0.0000
 47   0     6.1699     6.0000    -0.1699     3.9399     3.9399    -0.0000
 48   0     6.1386     6.0000    -0.1386     3.8561     3.8561    -0.0000
 49   0     6.1794     6.0000    -0.1794     3.8962     3.8962    -0.0000
 50   0     0.9117     1.0000     0.0883     0.9639     0.9639    -0.0000
 51   0     0.9024     1.0000     0.0976     0.9673     0.9673     0.0000
 52   0     0.9484     1.0000     0.0516     1.0111     1.0111    -0.0000
 53   0     0.9213     1.0000     0.0787     0.9740     0.9740     0.0000
 54   0     0.9062     1.0000     0.0938     0.9796     0.9796    -0.0000
 55   0     0.9097     1.0000     0.0903     0.9756     0.9756    -0.0000
 56   0     0.9363     1.0000     0.0637     0.9780     0.9780    -0.0000
 57   0     0.9125     1.0000     0.0875     0.9794     0.9794     0.0000
 58   0     0.9218     1.0000     0.0782     0.9734     0.9734    -0.0000
 59   0     0.9089     1.0000     0.0911     0.9687     0.9687    -0.0000
 60   0     6.1807     6.0000    -0.1807     3.8962     3.8962    -0.0000
 61   0     6.1256     6.0000    -0.1256     3.8986     3.8986    -0.0000
 62   0     6.1905     6.0000    -0.1905     3.9181     3.9181    -0.0000
 63   0     6.1256     6.0000    -0.1256     3.8577     3.8577    -0.0000
 64   0     6.1607     6.0000    -0.1607     3.9153     3.9153    -0.0000
 65   0     0.9159     1.0000     0.0841     0.9736     0.9736    -0.0000
 66   0     0.9194     1.0000     0.0806     0.9722     0.9722     0.0000
 67   0     0.9181     1.0000     0.0819     0.9791     0.9791    -0.0000
 68   0     0.9212     1.0000     0.0788     0.9795     0.9795    -0.0000
 69   0     0.9230     1.0000     0.0770     0.9785     0.9785    -0.0000
 70   0     0.9129     1.0000     0.0871     0.9731     0.9731    -0.0000
 71   0     0.9235     1.0000     0.0765     0.9788     0.9788    -0.0000
 72   0     0.9622     1.0000     0.0378     0.9969     0.9969    -0.0000
 73   0     0.8953     1.0000     0.1047     0.9781     0.9781    -0.0000
 74   0     0.9307     1.0000     0.0693     0.9790     0.9790     0.0000
 75   0     6.1686     6.0000    -0.1686     3.8881     3.8881    -0.0000
 76   0     6.1448     6.0000    -0.1448     3.8925     3.8925     0.0000
 77   0     6.1547     6.0000    -0.1547     3.9007     3.9007    -0.0000
 78   0     6.1807     6.0000    -0.1807     3.8967     3.8967     0.0000
 79   0     6.1566     6.0000    -0.1566     3.8812     3.8812    -0.0000
 80   0     0.9181     1.0000     0.0819     0.9808     0.9808     0.0000
 81   0     0.9297     1.0000     0.0703     0.9792     0.9792     0.0000
 82   0     0.9262     1.0000     0.0738     0.9720     0.9720     0.0000
 83   0     0.9187     1.0000     0.0813     0.9782     0.9782     0.0000
 84   0     0.9217     1.0000     0.0783     0.9768     0.9768     0.0000
 85   0     0.9124     1.0000     0.0876     0.9746     0.9746     0.0000
 86   0     0.9194     1.0000     0.0806     0.9715     0.9715    -0.0000
 87   0     0.9149     1.0000     0.0851     0.9774     0.9774     0.0000
 88   0     0.9305     1.0000     0.0695     0.9822     0.9822     0.0000
 89   0     0.9034     1.0000     0.0966     0.9774     0.9774     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                0.987420
                0             6               4            6                0.964342
                0             6               5            1                0.999540
                0             6               6            1                0.991006
                1             6               2            6                0.972330
                1             6               7            1                0.987805
                1             6               8            1                0.984101
                2             6               3            6                0.962716
                2             6               9            1                0.993649
                2             6              10            1                0.988421
                3             6               4            6                0.980830
                3             6              11            1                0.994320
                3             6              12            1                0.988654
                4             6              13            1                0.990886
                4             6              14            1                1.000080
               15             6              16            6                0.973442
               15             6              19            6                0.983354
               15             6              20            1                0.996982
               15             6              21            1                0.989970
               16             6              17            6                0.949492
               16             6              22            1                0.996760
               16             6              23            1                0.986038
               17             6              18            6                0.956990
               17             6              24            1                0.999649
               17             6              25            1                0.999284
               18             6              19            6                0.987703
               18             6              26            1                0.999769
               18             6              27            1                0.998377
               19             6              28            1                0.987465
               19             6              29            1                0.989556
               30             6              31            6                0.969685
               30             6              34            6                0.951637
               30             6              35            1                0.987231
               30             6              36            1                1.001935
               31             6              32            6                0.978255
               31             6              37            1                1.004250
               31             6              38            1                0.981248
               32             6              33            6                0.973202
               32             6              39            1                0.992085
               32             6              40            1                0.998051
               33             6              34            6                0.952973
               33             6              41            1                0.989715
               33             6              42            1                0.988098
               34             6              43            1                0.993446
               34             6              44            1                0.993098
               45             6              46            6                0.955704
               45             6              49            6                0.970440
               45             6              50            1                0.997190
               45             6              51            1                0.993476
               46             6              47            6                0.978693
               46             6              52            1                0.991115
               46             6              53            1                0.999805
               47             6              48            6                0.966569
               47             6              54            1                0.991989
               47             6              55            1                0.999365
               48             6              49            6                0.964780
               48             6              56            1                0.995207
               48             6              57            1                0.997398
               49             6              58            1                0.995930
               49             6              59            1                0.992612
               60             6              61            6                0.972937
               60             6              64            6                0.976753
               60             6              65            1                0.989970
               60             6              66            1                0.990709
               61             6              62            6                0.973600
               61             6              67            1                0.989631
               61             6              68            1                0.996111
               62             6              63            6                0.964681
               62             6              69            1                0.999030
               62             6              70            1                0.992341
               63             6              64            6                0.974417
               63             6              71            1                0.984283
               63             6              72            1                0.992968
               64             6              73            1                0.979422
               64             6              74            1                0.993832
               75             6              76            6                0.969320
               75             6              79            6                0.968194
               75             6              80            1                0.990505
               75             6              81            1                0.996300
               76             6              77            6                0.974710
               76             6              82            1                0.994666
               76             6              83            1                0.991405
               77             6              78            6                0.974404
               77             6              84            1                0.993793
               77             6              85            1                0.987563
               78             6              79            6                0.969417
               78             6              86            1                0.995634
               78             6              87            1                0.995324
               79             6              88            1                0.993981
               79             6              89            1                0.979971
# -----------------------------------------------------------
$ 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     6.2087     6.0000    -0.2087     4.0226     3.6946     0.3280
  1   0     6.1227     6.0000    -0.1227     4.0146     3.6954     0.3192
  2   0     6.2050     6.0000    -0.2050     3.9972     3.6744     0.3228
  3   0     6.1322     6.0000    -0.1322     3.9995     3.6781     0.3214
  4   0     6.1819     6.0000    -0.1819     4.0065     3.6844     0.3221
  5   0     0.9136     1.0000     0.0864     0.9842     0.9299     0.0543
  6   0     0.9078     1.0000     0.0922     0.9830     0.9303     0.0527
  7   0     0.9199     1.0000     0.0801     0.9939     0.9434     0.0505
  8   0     0.9081     1.0000     0.0919     0.9880     0.9373     0.0507
  9   0     0.9284     1.0000     0.0716     0.9894     0.9348     0.0546
 10   0     0.9055     1.0000     0.0945     0.9893     0.9404     0.0489
 11   0     0.9247     1.0000     0.0753     0.9961     0.9438     0.0523
 12   0     0.9159     1.0000     0.0841     0.9848     0.9312     0.0536
 13   0     0.9107     1.0000     0.0893     0.9835     0.9325     0.0510
 14   0     0.9167     1.0000     0.0833     0.9846     0.9323     0.0523
 15   0     6.1997     6.0000    -0.1997     4.0320     3.7086     0.3234
 16   0     6.1557     6.0000    -0.1557     3.9846     3.6696     0.3150
 17   0     6.1712     6.0000    -0.1712     3.9603     3.6433     0.3170
 18   0     6.1859     6.0000    -0.1859     4.0247     3.7112     0.3135
 19   0     6.1305     6.0000    -0.1305     4.0206     3.7074     0.3132
 20   0     0.9176     1.0000     0.0824     0.9881     0.9353     0.0528
 21   0     0.9040     1.0000     0.0960     0.9802     0.9264     0.0538
 22   0     0.9171     1.0000     0.0829     0.9912     0.9417     0.0495
 23   0     0.8986     1.0000     0.1014     0.9768     0.9251     0.0517
 24   0     0.9289     1.0000     0.0711     0.9854     0.9347     0.0507
 25   0     0.9244     1.0000     0.0756     0.9973     0.9454     0.0519
 26   0     0.9163     1.0000     0.0837     0.9807     0.9305     0.0502
 27   0     0.9152     1.0000     0.0848     0.9821     0.9291     0.0530
 28   0     0.9141     1.0000     0.0859     0.9866     0.9346     0.0520
 29   0     0.9131     1.0000     0.0869     0.9865     0.9359     0.0506
 30   0     6.0982     6.0000    -0.0982     3.9595     3.6370     0.3225
 31   0     6.1548     6.0000    -0.1548     4.0386     3.7131     0.3255
 32   0     6.1455     6.0000    -0.1455     4.0284     3.7080     0.3204
 33   0     6.1511     6.0000    -0.1511     3.9586     3.6343     0.3243
 34   0     6.2984     6.0000    -0.2984     4.0026     3.6608     0.3418
 35   0     0.9262     1.0000     0.0738     0.9922     0.9369     0.0553
 36   0     0.9543     1.0000     0.0457     1.0311     0.9803     0.0508
 37   0     0.9230     1.0000     0.0770     0.9838     0.9312     0.0526
 38   0     0.8975     1.0000     0.1025     0.9858     0.9339     0.0519
 39   0     0.9086     1.0000     0.0914     0.9843     0.9306     0.0537
 40   0     0.9331     1.0000     0.0669     0.9934     0.9393     0.0541
 41   0     0.9043     1.0000     0.0957     0.9818     0.9293     0.0525
 42   0     0.9072     1.0000     0.0928     0.9800     0.9267     0.0533
 43   0     0.8893     1.0000     0.1107     0.9672     0.9151     0.0521
 44   0     0.9082     1.0000     0.0918     0.9791     0.9243     0.0548
 45   0     6.2333     6.0000    -0.2333     3.9946     3.6623     0.3323
 46   0     6.1146     6.0000    -0.1146     3.9679     3.6510     0.3169
 47   0     6.1782     6.0000    -0.1782     4.0502     3.7303     0.3199
 48   0     6.1469     6.0000    -0.1469     3.9666     3.6490     0.3176
 49   0     6.1865     6.0000    -0.1865     4.0044     3.6867     0.3177
 50   0     0.9076     1.0000     0.0924     0.9731     0.9188     0.0543
 51   0     0.8987     1.0000     0.1013     0.9763     0.9211     0.0552
 52   0     0.9453     1.0000     0.0547     1.0229     0.9700     0.0529
 53   0     0.9171     1.0000     0.0829     0.9834     0.9295     0.0539
 54   0     0.9024     1.0000     0.0976     0.9886     0.9382     0.0504
 55   0     0.9058     1.0000     0.0942     0.9847     0.9348     0.0499
 56   0     0.9329     1.0000     0.0671     0.9892     0.9342     0.0550
 57   0     0.9081     1.0000     0.0919     0.9881     0.9406     0.0475
 58   0     0.9180     1.0000     0.0820     0.9830     0.9296     0.0534
 59   0     0.9049     1.0000     0.0951     0.9778     0.9271     0.0507
 60   0     6.1888     6.0000    -0.1888     4.0073     3.6815     0.3258
 61   0     6.1333     6.0000    -0.1333     4.0041     3.6895     0.3146
 62   0     6.1977     6.0000    -0.1977     4.0262     3.7104     0.3158
 63   0     6.1336     6.0000    -0.1336     3.9672     3.6392     0.3280
 64   0     6.1684     6.0000    -0.1684     4.0247     3.6973     0.3274
 65   0     0.9120     1.0000     0.0880     0.9830     0.9290     0.0540
 66   0     0.9155     1.0000     0.0845     0.9819     0.9270     0.0549
 67   0     0.9142     1.0000     0.0858     0.9884     0.9379     0.0505
 68   0     0.9175     1.0000     0.0825     0.9891     0.9391     0.0500
 69   0     0.9191     1.0000     0.0809     0.9880     0.9381     0.0499
 70   0     0.9093     1.0000     0.0907     0.9827     0.9325     0.0502
 71   0     0.9194     1.0000     0.0806     0.9883     0.9337     0.0546
 72   0     0.9585     1.0000     0.0415     1.0085     0.9516     0.0569
 73   0     0.8915     1.0000     0.1085     0.9866     0.9363     0.0503
 74   0     0.9265     1.0000     0.0735     0.9885     0.9324     0.0561
 75   0     6.1761     6.0000    -0.1761     3.9982     3.6784     0.3198
 76   0     6.1531     6.0000    -0.1531     4.0007     3.6802     0.3205
 77   0     6.1621     6.0000    -0.1621     4.0069     3.6936     0.3133
 78   0     6.1887     6.0000    -0.1887     4.0078     3.6831     0.3247
 79   0     6.1638     6.0000    -0.1638     3.9898     3.6671     0.3227
 80   0     0.9144     1.0000     0.0856     0.9905     0.9402     0.0503
 81   0     0.9257     1.0000     0.0743     0.9891     0.9363     0.0528
 82   0     0.9223     1.0000     0.0777     0.9818     0.9267     0.0551
 83   0     0.9148     1.0000     0.0852     0.9876     0.9344     0.0532
 84   0     0.9179     1.0000     0.0821     0.9862     0.9341     0.0521
 85   0     0.9086     1.0000     0.0914     0.9838     0.9332     0.0506
 86   0     0.9156     1.0000     0.0844     0.9812     0.9271     0.0541
 87   0     0.9111     1.0000     0.0889     0.9868     0.9356     0.0512
 88   0     0.9266     1.0000     0.0734     0.9921     0.9394     0.0527
 89   0     0.8995     1.0000     0.1005     0.9862     0.9359     0.0503
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.924168
                0             6               4            6                0.900244
                0             6               5            1                0.955929
                0             6               6            1                0.948808
                1             6               2            6                0.907665
                1             6               7            1                0.947800
                1             6               8            1                0.943965
                2             6               3            6                0.901103
                2             6               9            1                0.950479
                2             6              10            1                0.950304
                3             6               4            6                0.916765
                3             6              11            1                0.953091
                3             6              12            1                0.945952
                4             6              13            1                0.950508
                4             6              14            1                0.958369
               15             6              16            6                0.913448
               15             6              19            6                0.919098
               15             6              20            1                0.955031
               15             6              21            1                0.946885
               16             6              17            6                0.887922
               16             6              22            1                0.957454
               16             6              23            1                0.945224
               17             6              18            6                0.897253
               17             6              24            1                0.959252
               17             6              25            1                0.958525
               18             6              19            6                0.928445
               18             6              26            1                0.959893
               18             6              27            1                0.955987
               19             6              28            1                0.945976
               19             6              29            1                0.949737
               30             6              31            6                0.904570
               30             6              34            6                0.886969
               30             6              35            1                0.943938
               30             6              36            1                0.962954
               31             6              32            6                0.915096
               31             6              37            1                0.962117
               31             6              38            1                0.940021
               32             6              33            6                0.913144
               32             6              39            1                0.948894
               32             6              40            1                0.955953
               33             6              34            6                0.887839
               33             6              41            1                0.947615
               33             6              42            1                0.945241
               34             6              43            1                0.951332
               34             6              44            1                0.948733
               45             6              46            6                0.893984
               45             6              49            6                0.909002
               45             6              50            1                0.953019
               45             6              51            1                0.948548
               46             6              47            6                0.914662
               46             6              52            1                0.951462
               46             6              53            1                0.955868
               47             6              48            6                0.904502
               47             6              54            1                0.952123
               47             6              55            1                0.959637
               48             6              49            6                0.902881
               48             6              56            1                0.952441
               48             6              57            1                0.959857
               49             6              58            1                0.953300
               49             6              59            1                0.952389
               60             6              61            6                0.910140
               60             6              64            6                0.915070
               60             6              65            1                0.946791
               60             6              66            1                0.947065
               61             6              62            6                0.909766
               61             6              67            1                0.949883
               61             6              68            1                0.956767
               62             6              63            6                0.903083
               62             6              69            1                0.959611
               62             6              70            1                0.952937
               63             6              64            6                0.908014
               63             6              71            1                0.940613
               63             6              72            1                0.948839
               64             6              73            1                0.939379
               64             6              74            1                0.948366
               75             6              76            6                0.906867
               75             6              79            6                0.904802
               75             6              80            1                0.951328
               75             6              81            1                0.954636
               76             6              77            6                0.914591
               76             6              82            1                0.950477
               76             6              83            1                0.949091
               77             6              78            6                0.912586
               77             6              84            1                0.952413
               77             6              85            1                0.947680
               78             6              79            6                0.904275
               78             6              86            1                0.952313
               78             6              87            1                0.954757
               79             6              88            1                0.952224
               79             6              89            1                0.939986
# -----------------------------------------------------------
$ 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     6.2478     6.0000    -0.2478     4.0003     3.6767     0.3236
  1   0     6.1821     6.0000    -0.1821     4.0103     3.6950     0.3153
  2   0     6.2468     6.0000    -0.2468     3.9839     3.6658     0.3181
  3   0     6.1870     6.0000    -0.1870     3.9851     3.6679     0.3172
  4   0     6.2329     6.0000    -0.2329     3.9839     3.6657     0.3182
  5   0     0.8889     1.0000     0.1111     0.9750     0.9218     0.0532
  6   0     0.8845     1.0000     0.1155     0.9756     0.9239     0.0517
  7   0     0.8963     1.0000     0.1037     0.9897     0.9403     0.0494
  8   0     0.8864     1.0000     0.1136     0.9800     0.9303     0.0497
  9   0     0.9027     1.0000     0.0973     0.9806     0.9272     0.0534
 10   0     0.8804     1.0000     0.1196     0.9810     0.9333     0.0477
 11   0     0.8960     1.0000     0.1040     0.9872     0.9361     0.0511
 12   0     0.8929     1.0000     0.1071     0.9777     0.9251     0.0526
 13   0     0.8868     1.0000     0.1132     0.9763     0.9263     0.0500
 14   0     0.8908     1.0000     0.1092     0.9756     0.9244     0.0512
 15   0     6.2431     6.0000    -0.2431     4.0129     3.6937     0.3192
 16   0     6.2122     6.0000    -0.2122     3.9781     3.6671     0.3110
 17   0     6.2333     6.0000    -0.2333     3.9507     3.6377     0.3130
 18   0     6.2292     6.0000    -0.2292     3.9991     3.6899     0.3092
 19   0     6.1824     6.0000    -0.1824     4.0098     3.7005     0.3093
 20   0     0.8903     1.0000     0.1097     0.9777     0.9261     0.0516
 21   0     0.8809     1.0000     0.1191     0.9727     0.9199     0.0528
 22   0     0.8913     1.0000     0.1087     0.9820     0.9337     0.0483
 23   0     0.8752     1.0000     0.1248     0.9743     0.9238     0.0505
 24   0     0.9015     1.0000     0.0985     0.9792     0.9298     0.0494
 25   0     0.8940     1.0000     0.1060     0.9874     0.9369     0.0505
 26   0     0.8898     1.0000     0.1102     0.9726     0.9235     0.0491
 27   0     0.8887     1.0000     0.1113     0.9740     0.9222     0.0518
 28   0     0.8926     1.0000     0.1074     0.9794     0.9284     0.0510
 29   0     0.8906     1.0000     0.1094     0.9807     0.9311     0.0496
 30   0     6.1714     6.0000    -0.1714     3.9578     3.6397     0.3181
 31   0     6.2025     6.0000    -0.2025     4.0132     3.6920     0.3212
 32   0     6.1931     6.0000    -0.1931     4.0112     3.6954     0.3158
 33   0     6.2011     6.0000    -0.2011     3.9539     3.6343     0.3196
 34   0     6.3315     6.0000    -0.3315     3.9828     3.6461     0.3367
 35   0     0.9018     1.0000     0.0982     0.9877     0.9337     0.0540
 36   0     0.9144     1.0000     0.0856     1.0171     0.9677     0.0494
 37   0     0.8977     1.0000     0.1023     0.9808     0.9294     0.0514
 38   0     0.8791     1.0000     0.1209     0.9787     0.9278     0.0509
 39   0     0.8869     1.0000     0.1131     0.9768     0.9242     0.0526
 40   0     0.9059     1.0000     0.0941     0.9914     0.9387     0.0527
 41   0     0.8802     1.0000     0.1198     0.9746     0.9234     0.0512
 42   0     0.8858     1.0000     0.1142     0.9749     0.9228     0.0521
 43   0     0.8647     1.0000     0.1353     0.9612     0.9105     0.0507
 44   0     0.8815     1.0000     0.1185     0.9709     0.9175     0.0534
 45   0     6.2718     6.0000    -0.2718     3.9825     3.6550     0.3275
 46   0     6.1810     6.0000    -0.1810     3.9799     3.6672     0.3127
 47   0     6.2226     6.0000    -0.2226     4.0293     3.7132     0.3161
 48   0     6.2150     6.0000    -0.2150     3.9725     3.6588     0.3137
 49   0     6.2298     6.0000    -0.2298     3.9816     3.6681     0.3135
 50   0     0.8829     1.0000     0.1171     0.9639     0.9107     0.0532
 51   0     0.8743     1.0000     0.1257     0.9687     0.9147     0.0540
 52   0     0.9113     1.0000     0.0887     1.0122     0.9606     0.0516
 53   0     0.8929     1.0000     0.1071     0.9742     0.9214     0.0528
 54   0     0.8792     1.0000     0.1208     0.9799     0.9306     0.0493
 55   0     0.8821     1.0000     0.1179     0.9745     0.9256     0.0489
 56   0     0.9017     1.0000     0.0983     0.9836     0.9300     0.0536
 57   0     0.8833     1.0000     0.1167     0.9785     0.9322     0.0463
 58   0     0.8906     1.0000     0.1094     0.9742     0.9220     0.0522
 59   0     0.8824     1.0000     0.1176     0.9708     0.9211     0.0497
 60   0     6.2345     6.0000    -0.2345     3.9933     3.6721     0.3212
 61   0     6.1903     6.0000    -0.1903     3.9827     3.6717     0.3110
 62   0     6.2412     6.0000    -0.2412     3.9971     3.6855     0.3116
 63   0     6.1946     6.0000    -0.1946     3.9640     3.6406     0.3234
 64   0     6.2137     6.0000    -0.2137     4.0087     3.6857     0.3230
 65   0     0.8868     1.0000     0.1132     0.9741     0.9212     0.0529
 66   0     0.8923     1.0000     0.1077     0.9739     0.9200     0.0539
 67   0     0.8896     1.0000     0.1104     0.9804     0.9310     0.0494
 68   0     0.8922     1.0000     0.1078     0.9809     0.9319     0.0490
 69   0     0.8927     1.0000     0.1073     0.9783     0.9294     0.0489
 70   0     0.8852     1.0000     0.1148     0.9783     0.9293     0.0490
 71   0     0.8961     1.0000     0.1039     0.9812     0.9277     0.0535
 72   0     0.9232     1.0000     0.0768     1.0005     0.9453     0.0552
 73   0     0.8713     1.0000     0.1287     0.9790     0.9297     0.0493
 74   0     0.9004     1.0000     0.0996     0.9799     0.9250     0.0549
 75   0     6.2251     6.0000    -0.2251     3.9829     3.6672     0.3157
 76   0     6.2043     6.0000    -0.2043     3.9847     3.6684     0.3163
 77   0     6.2105     6.0000    -0.2105     3.9889     3.6797     0.3092
 78   0     6.2339     6.0000    -0.2339     3.9885     3.6679     0.3206
 79   0     6.2162     6.0000    -0.2162     3.9831     3.6646     0.3185
 80   0     0.8905     1.0000     0.1095     0.9835     0.9343     0.0492
 81   0     0.8988     1.0000     0.1012     0.9806     0.9290     0.0516
 82   0     0.8986     1.0000     0.1014     0.9748     0.9207     0.0541
 83   0     0.8902     1.0000     0.1098     0.9795     0.9274     0.0521
 84   0     0.8925     1.0000     0.1075     0.9774     0.9264     0.0510
 85   0     0.8858     1.0000     0.1142     0.9773     0.9277     0.0496
 86   0     0.8908     1.0000     0.1092     0.9734     0.9204     0.0530
 87   0     0.8870     1.0000     0.1130     0.9792     0.9290     0.0502
 88   0     0.8995     1.0000     0.1005     0.9824     0.9308     0.0516
 89   0     0.8766     1.0000     0.1234     0.9796     0.9304     0.0492
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.934766
                0             6               4            6                0.905209
                0             6               5            1                0.939263
                0             6               6            1                0.935951
                1             6               2            6                0.915598
                1             6               7            1                0.935293
                1             6               8            1                0.933012
                2             6               3            6                0.914034
                2             6               9            1                0.935874
                2             6              10            1                0.938848
                3             6               4            6                0.922114
                3             6              11            1                0.940303
                3             6              12            1                0.931686
                4             6              13            1                0.938397
                4             6              14            1                0.944513
               15             6              16            6                0.928027
               15             6              19            6                0.926973
               15             6              20            1                0.939285
               15             6              21            1                0.932430
               16             6              17            6                0.897293
               16             6              22            1                0.942949
               16             6              23            1                0.932463
               17             6              18            6                0.906601
               17             6              24            1                0.946374
               17             6              25            1                0.941938
               18             6              19            6                0.940086
               18             6              26            1                0.946938
               18             6              27            1                0.937946
               19             6              28            1                0.932279
               19             6              29            1                0.936976
               30             6              31            6                0.909644
               30             6              34            6                0.898600
               30             6              35            1                0.927290
               30             6              36            1                0.953863
               31             6              32            6                0.923424
               31             6              37            1                0.948672
               31             6              38            1                0.925662
               32             6              33            6                0.931263
               32             6              39            1                0.930049
               32             6              40            1                0.939431
               33             6              34            6                0.896557
               33             6              41            1                0.933252
               33             6              42            1                0.930230
               34             6              43            1                0.938569
               34             6              44            1                0.932000
               45             6              46            6                0.912851
               45             6              49            6                0.919577
               45             6              50            1                0.936891
               45             6              51            1                0.930609
               46             6              47            6                0.924845
               46             6              52            1                0.940500
               46             6              53            1                0.940600
               47             6              48            6                0.917387
               47             6              54            1                0.937561
               47             6              55            1                0.944870
               48             6              49            6                0.910767
               48             6              56            1                0.940238
               48             6              57            1                0.946072
               49             6              58            1                0.938553
               49             6              59            1                0.938328
               60             6              61            6                0.922347
               60             6              64            6                0.926574
               60             6              65            1                0.931857
               60             6              66            1                0.929863
               61             6              62            6                0.907423
               61             6              67            1                0.937628
               61             6              68            1                0.944912
               62             6              63            6                0.913655
               62             6              69            1                0.946319
               62             6              70            1                0.942112
               63             6              64            6                0.916557
               63             6              71            1                0.926785
               63             6              72            1                0.939653
               64             6              73            1                0.928282
               64             6              74            1                0.931441
               75             6              76            6                0.919938
               75             6              79            6                0.912146
               75             6              80            1                0.939321
               75             6              81            1                0.941506
               76             6              77            6                0.921843
               76             6              82            1                0.935449
               76             6              83            1                0.934769
               77             6              78            6                0.922152
               77             6              84            1                0.938366
               77             6              85            1                0.935116
               78             6              79            6                0.911686
               78             6              86            1                0.937970
               78             6              87            1                0.941719
               79             6              88            1                0.942625
               79             6              89            1                0.928124
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2164518937
        Correlation Energy:       -5.0697797560
        Total MP2 Energy:      -1176.2862316497
# -----------------------------------------------------------
$ 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) :        0.0708491208
        Electronic Contribution:
                  0    
      0      -0.039673
      1      -0.023104
      2      -0.430990
        Nuclear Contribution:
                  0    
      0       0.056234
      1       0.016067
      2       0.409703
        Total Dipole moment:
                  0    
      0       0.016561
      1      -0.007037
      2      -0.021287
# -----------------------------------------------------------
$ 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) :        0.0690478746
        Electronic Contribution:
                  0    
      0      -0.040077
      1      -0.022146
      2      -0.430678
        Nuclear Contribution:
                  0    
      0       0.056234
      1       0.016067
      2       0.409703
        Total Dipole moment:
                  0    
      0       0.016157
      1      -0.006079
      2      -0.020975
# -----------------------------------------------------------
$ 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) :        0.0335665820
        Electronic Contribution:
                  0    
      0      -0.051462
      1      -0.020704
      2      -0.421110
        Nuclear Contribution:
                  0    
      0       0.056234
      1       0.016067
      2       0.409703
        Total Dipole moment:
                  0    
      0       0.004771
      1      -0.004637
      2      -0.011407
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     16.880000000000   20.750000000000   19.630000000000
               1 C     17.860000000000   20.280000000000   18.520000000000
               2 C     17.740000000000   18.710000000000   18.560000000000
               3 C     16.370000000000   18.360000000000   19.150000000000
               4 C     15.940000000000   19.570000000000   20.020000000000
               5 H     16.180000000000   21.570000000000   19.320000000000
               6 H     17.340000000000   21.140000000000   20.560000000000
               7 H     18.860000000000   20.570000000000   18.770000000000
               8 H     17.490000000000   20.630000000000   17.560000000000
               9 H     18.460000000000   18.280000000000   19.280000000000
              10 H     17.950000000000   18.260000000000   17.650000000000
              11 H     16.470000000000   17.490000000000   19.790000000000
              12 H     15.560000000000   18.220000000000   18.380000000000
              13 H     15.970000000000   19.410000000000   21.090000000000
              14 H     14.900000000000   19.790000000000   19.760000000000
              15 C     17.710000000000   12.920000000000   18.530000000000
              16 C     18.320000000000   14.280000000000   18.260000000000
              17 C     18.700000000000   14.780000000000   19.640000000000
              18 C     18.820000000000   13.570000000000   20.510000000000
              19 C     18.370000000000   12.350000000000   19.810000000000
              20 H     17.890000000000   12.200000000000   17.730000000000
              21 H     16.580000000000   12.900000000000   18.570000000000
              22 H     17.600000000000   14.970000000000   17.930000000000
              23 H     19.190000000000   14.410000000000   17.620000000000
              24 H     17.960000000000   15.410000000000   20.040000000000
              25 H     19.510000000000   15.470000000000   19.710000000000
              26 H     18.250000000000   13.700000000000   21.390000000000
              27 H     19.830000000000   13.470000000000   20.950000000000
              28 H     17.570000000000   11.830000000000   20.380000000000
              29 H     19.200000000000   11.730000000000   19.500000000000
              30 C     21.670000000000   17.410000000000   17.990000000000
              31 C     22.290000000000   18.860000000000   18.120000000000
              32 C     21.490000000000   19.800000000000   17.200000000000
              33 C     20.900000000000   18.950000000000   16.140000000000
              34 C     20.990000000000   17.440000000000   16.600000000000
              35 H     20.870000000000   17.130000000000   18.720000000000
              36 H     22.340000000000   16.640000000000   17.910000000000
              37 H     23.270000000000   18.760000000000   17.680000000000
              38 H     22.370000000000   19.260000000000   19.160000000000
              39 H     22.210000000000   20.570000000000   16.780000000000
              40 H     20.650000000000   20.270000000000   17.730000000000
              41 H     21.520000000000   19.130000000000   15.250000000000
              42 H     19.820000000000   19.160000000000   15.930000000000
              43 H     21.460000000000   16.860000000000   15.820000000000
              44 H     20.030000000000   16.860000000000   16.650000000000
              45 C     23.170000000000   13.950000000000   18.950000000000
              46 C     22.000000000000   13.500000000000   18.090000000000
              47 C     22.490000000000   13.560000000000   16.600000000000
              48 C     23.790000000000   14.400000000000   16.630000000000
              49 C     24.350000000000   14.290000000000   18.040000000000
              50 H     23.510000000000   13.170000000000   19.680000000000
              51 H     22.940000000000   14.720000000000   19.760000000000
              52 H     21.130000000000   14.000000000000   18.390000000000
              53 H     21.880000000000   12.430000000000   18.380000000000
              54 H     21.740000000000   13.860000000000   15.900000000000
              55 H     22.700000000000   12.590000000000   16.220000000000
              56 H     23.670000000000   15.470000000000   16.420000000000
              57 H     24.490000000000   14.100000000000   15.940000000000
              58 H     24.820000000000   15.260000000000   18.250000000000
              59 H     25.180000000000   13.600000000000   18.140000000000
              60 C     27.110000000000   17.930000000000   14.450000000000
              61 C     26.830000000000   19.270000000000   15.150000000000
              62 C     25.280000000000   19.460000000000   15.210000000000
              63 C     24.720000000000   18.190000000000   14.640000000000
              64 C     25.840000000000   17.080000000000   14.460000000000
              65 H     27.990000000000   17.420000000000   14.930000000000
              66 H     27.490000000000   18.140000000000   13.400000000000
              67 H     27.310000000000   20.060000000000   14.600000000000
              68 H     27.220000000000   19.200000000000   16.130000000000
              69 H     25.030000000000   20.240000000000   14.550000000000
              70 H     24.900000000000   19.720000000000   16.170000000000
              71 H     24.190000000000   18.410000000000   13.660000000000
              72 H     24.020000000000   17.910000000000   15.430000000000
              73 H     25.620000000000   16.400000000000   13.630000000000
              74 H     25.830000000000   16.460000000000   15.430000000000
              75 C     20.440000000000   19.070000000000   12.200000000000
              76 C     20.040000000000   19.360000000000   10.740000000000
              77 C     19.610000000000   18.070000000000   10.130000000000
              78 C     20.110000000000   16.960000000000   11.070000000000
              79 C     20.790000000000   17.570000000000   12.350000000000
              80 H     19.620000000000   19.430000000000   12.760000000000
              81 H     21.350000000000   19.590000000000   12.490000000000
              82 H     20.940000000000   19.760000000000   10.160000000000
              83 H     19.230000000000   20.130000000000   10.700000000000
              84 H     20.100000000000   18.110000000000    9.160000000000
              85 H     18.550000000000   17.930000000000    9.950000000000
              86 H     20.910000000000   16.310000000000   10.640000000000
              87 H     19.300000000000   16.290000000000   11.320000000000
              88 H     21.870000000000   17.480000000000   12.200000000000
              89 H     20.480000000000   17.120000000000   13.290000000000
