-------------------------------------------------------------
----------------------- !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:    -1171.1891607338
# -----------------------------------------------------------
$ 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     6.2127     6.0000    -0.2127     3.9106     3.9106    -0.0000
  1   0     6.1245     6.0000    -0.1245     3.8418     3.8418     0.0000
  2   0     6.1986     6.0000    -0.1986     3.8721     3.8721    -0.0000
  3   0     6.1435     6.0000    -0.1435     3.9267     3.9267    -0.0000
  4   0     6.1097     6.0000    -0.1097     3.8820     3.8820    -0.0000
  5   0     0.9085     1.0000     0.0915     0.9701     0.9701     0.0000
  6   0     0.9193     1.0000     0.0807     0.9767     0.9767    -0.0000
  7   0     0.9587     1.0000     0.0413     0.9971     0.9971     0.0000
  8   0     0.9136     1.0000     0.0864     0.9756     0.9756    -0.0000
  9   0     0.9070     1.0000     0.0930     0.9676     0.9676    -0.0000
 10   0     0.9069     1.0000     0.0931     0.9718     0.9718    -0.0000
 11   0     0.9163     1.0000     0.0837     0.9810     0.9810    -0.0000
 12   0     0.9295     1.0000     0.0705     0.9793     0.9793    -0.0000
 13   0     0.9180     1.0000     0.0820     0.9579     0.9579    -0.0000
 14   0     0.9211     1.0000     0.0789     0.9780     0.9780     0.0000
 15   0     6.1136     6.0000    -0.1136     3.8761     3.8761    -0.0000
 16   0     6.1363     6.0000    -0.1363     3.9117     3.9117    -0.0000
 17   0     6.2282     6.0000    -0.2282     3.9332     3.9332    -0.0000
 18   0     6.0352     6.0000    -0.0352     3.8649     3.8649    -0.0000
 19   0     6.1655     6.0000    -0.1655     3.9456     3.9456    -0.0000
 20   0     0.9147     1.0000     0.0853     0.9751     0.9751    -0.0000
 21   0     0.9885     1.0000     0.0115     0.9998     0.9998    -0.0000
 22   0     0.9081     1.0000     0.0919     0.9742     0.9742    -0.0000
 23   0     0.9202     1.0000     0.0798     0.9806     0.9806    -0.0000
 24   0     0.9361     1.0000     0.0639     0.9783     0.9783    -0.0000
 25   0     0.9004     1.0000     0.0996     0.9663     0.9663    -0.0000
 26   0     0.9237     1.0000     0.0763     0.9757     0.9757    -0.0000
 27   0     0.9883     1.0000     0.0117     1.0222     1.0222    -0.0000
 28   0     0.9499     1.0000     0.0501     0.9966     0.9966    -0.0000
 29   0     0.9011     1.0000     0.0989     0.9682     0.9682     0.0000
 30   0     6.1362     6.0000    -0.1362     3.9368     3.9368    -0.0000
 31   0     6.1320     6.0000    -0.1320     3.8709     3.8709    -0.0000
 32   0     6.2264     6.0000    -0.2264     3.8500     3.8500    -0.0000
 33   0     6.1870     6.0000    -0.1870     3.8906     3.8906    -0.0000
 34   0     6.1266     6.0000    -0.1266     3.9017     3.9017     0.0000
 35   0     0.9215     1.0000     0.0785     0.9774     0.9774    -0.0000
 36   0     0.9231     1.0000     0.0769     0.9785     0.9785    -0.0000
 37   0     0.9154     1.0000     0.0846     0.9767     0.9767     0.0000
 38   0     0.9290     1.0000     0.0710     0.9871     0.9871    -0.0000
 39   0     0.9286     1.0000     0.0714     0.9792     0.9792    -0.0000
 40   0     0.9082     1.0000     0.0918     0.9682     0.9682    -0.0000
 41   0     0.8970     1.0000     0.1030     0.9736     0.9736    -0.0000
 42   0     0.9232     1.0000     0.0768     0.9731     0.9731    -0.0000
 43   0     0.9195     1.0000     0.0805     0.9768     0.9768    -0.0000
 44   0     0.9199     1.0000     0.0801     0.9764     0.9764    -0.0000
 45   0     6.1410     6.0000    -0.1410     3.8976     3.8976    -0.0000
 46   0     6.1744     6.0000    -0.1744     3.9032     3.9032    -0.0000
 47   0     6.1136     6.0000    -0.1136     3.8993     3.8993    -0.0000
 48   0     6.1735     6.0000    -0.1735     3.8986     3.8986    -0.0000
 49   0     6.1454     6.0000    -0.1454     3.8871     3.8871     0.0000
 50   0     0.9769     1.0000     0.0231     1.0134     1.0134    -0.0000
 51   0     0.9171     1.0000     0.0829     0.9781     0.9781    -0.0000
 52   0     0.9210     1.0000     0.0790     0.9802     0.9802     0.0000
 53   0     0.9197     1.0000     0.0803     0.9740     0.9740     0.0000
 54   0     0.9054     1.0000     0.0946     0.9732     0.9732    -0.0000
 55   0     0.9364     1.0000     0.0636     0.9787     0.9787    -0.0000
 56   0     0.9194     1.0000     0.0806     0.9732     0.9732     0.0000
 57   0     0.9164     1.0000     0.0836     0.9793     0.9793    -0.0000
 58   0     0.9176     1.0000     0.0824     0.9774     0.9774     0.0000
 59   0     0.9268     1.0000     0.0732     0.9830     0.9830     0.0000
 60   0     6.1222     6.0000    -0.1222     3.8370     3.8370    -0.0000
 61   0     6.1777     6.0000    -0.1777     3.8884     3.8884     0.0000
 62   0     6.1097     6.0000    -0.1097     3.8470     3.8470     0.0000
 63   0     6.1577     6.0000    -0.1577     3.9002     3.9002     0.0000
 64   0     6.2248     6.0000    -0.2248     3.9029     3.9029     0.0000
 65   0     0.9292     1.0000     0.0708     0.9761     0.9761    -0.0000
 66   0     0.9192     1.0000     0.0808     0.9766     0.9766    -0.0000
 67   0     0.9149     1.0000     0.0851     0.9732     0.9732    -0.0000
 68   0     0.9488     1.0000     0.0512     0.9885     0.9885    -0.0000
 69   0     0.9240     1.0000     0.0760     0.9782     0.9782     0.0000
 70   0     0.9328     1.0000     0.0672     0.9851     0.9851    -0.0000
 71   0     0.9007     1.0000     0.0993     0.9710     0.9710     0.0000
 72   0     0.9122     1.0000     0.0878     0.9818     0.9818     0.0000
 73   0     0.9137     1.0000     0.0863     0.9781     0.9781     0.0000
 74   0     0.9094     1.0000     0.0906     0.9746     0.9746    -0.0000
 75   0     6.1464     6.0000    -0.1464     3.8975     3.8975     0.0000
 76   0     6.1734     6.0000    -0.1734     3.8904     3.8904    -0.0000
 77   0     6.1978     6.0000    -0.1978     3.9236     3.9236    -0.0000
 78   0     6.1138     6.0000    -0.1138     3.8296     3.8296    -0.0000
 79   0     6.1889     6.0000    -0.1889     3.9404     3.9404    -0.0000
 80   0     0.9022     1.0000     0.0978     0.9713     0.9713    -0.0000
 81   0     0.9263     1.0000     0.0737     0.9778     0.9778    -0.0000
 82   0     0.9176     1.0000     0.0824     0.9724     0.9724     0.0000
 83   0     0.9135     1.0000     0.0865     0.9752     0.9752    -0.0000
 84   0     0.9054     1.0000     0.0946     0.9716     0.9716    -0.0000
 85   0     0.9106     1.0000     0.0894     0.9769     0.9769    -0.0000
 86   0     0.9622     1.0000     0.0378     0.9836     0.9836    -0.0000
 87   0     0.9353     1.0000     0.0647     0.9733     0.9733     0.0000
 88   0     0.9166     1.0000     0.0834     0.9702     0.9702    -0.0000
 89   0     0.8971     1.0000     0.1029     0.9744     0.9744    -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                0.966028
                0             6               4            6                0.971244
                0             6               5            1                0.991101
                0             6               6            1                0.998880
                1             6               2            6                0.949652
                1             6               7            1                1.003644
                1             6               8            1                0.982961
                2             6               3            6                0.975821
                2             6               9            1                0.993032
                2             6              10            1                0.988663
                3             6               4            6                0.979323
                3             6              11            1                0.988209
                3             6              12            1                0.995213
                4             6              13            1                0.992059
                4             6              14            1                0.984547
               15             6              16            6                0.980977
               15             6              19            6                0.972501
               15             6              20            1                0.985912
               15             6              21            1                0.999708
               16             6              17            6                0.976039
               16             6              22            1                0.995890
               16             6              23            1                0.995234
               17             6              18            6                0.957775
               17             6              24            1                0.997302
               17             6              25            1                0.999392
               18             6              19            6                0.971010
               18             6              26            1                0.983191
               18             6              27            1                1.007544
               19             6              28            1                1.007418
               19             6              29            1                0.994146
               30             6              31            6                0.982666
               30             6              34            6                0.986378
               30             6              35            1                0.997629
               30             6              36            1                0.993236
               31             6              32            6                0.942289
               31             6              37            1                0.990309
               31             6              38            1                0.998564
               32             6              33            6                0.956908
               32             6              39            1                0.995839
               32             6              40            1                0.990927
               33             6              34            6                0.972072
               33             6              41            1                0.986985
               33             6              42            1                0.999667
               34             6              43            1                0.987741
               34             6              44            1                0.993780
               45             6              46            6                0.966069
               45             6              49            6                0.979917
               45             6              50            1                1.004249
               45             6              51            1                0.991578
               46             6              47            6                0.971739
               46             6              52            1                0.989993
               46             6              53            1                0.998416
               47             6              48            6                0.976007
               47             6              54            1                0.986250
               47             6              55            1                0.996618
               48             6              49            6                0.957858
               48             6              56            1                0.991761
               48             6              57            1                0.997970
               49             6              58            1                0.998504
               49             6              59            1                0.982733
               60             6              61            6                0.947950
               60             6              64            6                0.961185
               60             6              65            1                1.003072
               60             6              66            1                0.988931
               61             6              62            6                0.965441
               61             6              67            1                0.987915
               61             6              68            1                1.006815
               62             6              63            6                0.968102
               62             6              69            1                0.985708
               62             6              70            1                0.985503
               63             6              64            6                0.976533
               63             6              71            1                0.984460
               63             6              72            1                0.993934
               64             6              73            1                0.990816
               64             6              74            1                0.988668
               75             6              76            6                0.958477
               75             6              79            6                0.992560
               75             6              80            1                0.985729
               75             6              81            1                1.006140
               76             6              77            6                0.985223
               76             6              82            1                1.001200
               76             6              83            1                0.990031
               77             6              78            6                0.962076
               77             6              84            1                0.989241
               77             6              85            1                0.988091
               78             6              79            6                0.967455
               78             6              86            1                0.985752
               78             6              87            1                0.998849
               79             6              88            1                1.006123
               79             6              89            1                0.974740
# -----------------------------------------------------------
$ 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     6.2205     6.0000    -0.2205     4.0233     3.6979     0.3254
  1   0     6.1324     6.0000    -0.1324     3.9511     3.6241     0.3270
  2   0     6.2073     6.0000    -0.2073     3.9880     3.6570     0.3310
  3   0     6.1506     6.0000    -0.1506     4.0321     3.7232     0.3089
  4   0     6.1190     6.0000    -0.1190     3.9906     3.6720     0.3186
  5   0     0.9044     1.0000     0.0956     0.9793     0.9282     0.0511
  6   0     0.9153     1.0000     0.0847     0.9860     0.9337     0.0523
  7   0     0.9553     1.0000     0.0447     1.0088     0.9547     0.0541
  8   0     0.9094     1.0000     0.0906     0.9846     0.9304     0.0542
  9   0     0.9030     1.0000     0.0970     0.9769     0.9237     0.0532
 10   0     0.9026     1.0000     0.0974     0.9805     0.9289     0.0516
 11   0     0.9122     1.0000     0.0878     0.9902     0.9419     0.0483
 12   0     0.9256     1.0000     0.0744     0.9893     0.9385     0.0508
 13   0     0.9143     1.0000     0.0857     0.9679     0.9149     0.0530
 14   0     0.9166     1.0000     0.0834     0.9871     0.9364     0.0507
 15   0     6.1199     6.0000    -0.1199     3.9800     3.6556     0.3244
 16   0     6.1442     6.0000    -0.1442     4.0191     3.6987     0.3204
 17   0     6.2349     6.0000    -0.2349     4.0446     3.7234     0.3212
 18   0     6.0427     6.0000    -0.0427     3.9673     3.6557     0.3116
 19   0     6.1742     6.0000    -0.1742     4.0560     3.7344     0.3216
 20   0     0.9107     1.0000     0.0893     0.9842     0.9307     0.0535
 21   0     0.9862     1.0000     0.0138     1.0147     0.9547     0.0600
 22   0     0.9042     1.0000     0.0958     0.9832     0.9329     0.0503
 23   0     0.9163     1.0000     0.0837     0.9899     0.9379     0.0520
 24   0     0.9326     1.0000     0.0674     0.9893     0.9357     0.0536
 25   0     0.8962     1.0000     0.1038     0.9750     0.9264     0.0486
 26   0     0.9203     1.0000     0.0797     0.9864     0.9323     0.0541
 27   0     0.9844     1.0000     0.0156     1.0337     0.9824     0.0513
 28   0     0.9459     1.0000     0.0541     1.0066     0.9538     0.0528
 29   0     0.8970     1.0000     0.1030     0.9768     0.9262     0.0506
 30   0     6.1438     6.0000    -0.1438     4.0404     3.7295     0.3109
 31   0     6.1401     6.0000    -0.1401     3.9805     3.6591     0.3214
 32   0     6.2334     6.0000    -0.2334     3.9674     3.6333     0.3341
 33   0     6.1943     6.0000    -0.1943     4.0022     3.6724     0.3298
 34   0     6.1346     6.0000    -0.1346     4.0074     3.6928     0.3146
 35   0     0.9177     1.0000     0.0823     0.9869     0.9380     0.0489
 36   0     0.9193     1.0000     0.0807     0.9881     0.9371     0.0510
 37   0     0.9117     1.0000     0.0883     0.9861     0.9351     0.0510
 38   0     0.9249     1.0000     0.0751     0.9965     0.9461     0.0504
 39   0     0.9247     1.0000     0.0753     0.9893     0.9347     0.0546
 40   0     0.9043     1.0000     0.0957     0.9774     0.9255     0.0519
 41   0     0.8934     1.0000     0.1066     0.9826     0.9321     0.0505
 42   0     0.9195     1.0000     0.0805     0.9830     0.9273     0.0557
 43   0     0.9157     1.0000     0.0843     0.9863     0.9350     0.0513
 44   0     0.9160     1.0000     0.0840     0.9857     0.9337     0.0520
 45   0     6.1482     6.0000    -0.1482     4.0058     3.6885     0.3173
 46   0     6.1823     6.0000    -0.1823     4.0126     3.6945     0.3181
 47   0     6.1219     6.0000    -0.1219     4.0050     3.6959     0.3091
 48   0     6.1819     6.0000    -0.1819     4.0098     3.6862     0.3236
 49   0     6.1537     6.0000    -0.1537     3.9980     3.6697     0.3283
 50   0     0.9730     1.0000     0.0270     1.0251     0.9727     0.0524
 51   0     0.9130     1.0000     0.0870     0.9873     0.9382     0.0491
 52   0     0.9170     1.0000     0.0830     0.9897     0.9384     0.0513
 53   0     0.9156     1.0000     0.0844     0.9833     0.9343     0.0490
 54   0     0.9012     1.0000     0.0988     0.9818     0.9350     0.0468
 55   0     0.9322     1.0000     0.0678     0.9884     0.9374     0.0510
 56   0     0.9152     1.0000     0.0848     0.9826     0.9293     0.0533
 57   0     0.9125     1.0000     0.0875     0.9885     0.9379     0.0506
 58   0     0.9134     1.0000     0.0866     0.9864     0.9358     0.0506
 59   0     0.9229     1.0000     0.0771     0.9928     0.9364     0.0564
 60   0     6.1297     6.0000    -0.1297     3.9439     3.6307     0.3132
 61   0     6.1857     6.0000    -0.1857     3.9981     3.6760     0.3221
 62   0     6.1176     6.0000    -0.1176     3.9566     3.6336     0.3230
 63   0     6.1660     6.0000    -0.1660     4.0108     3.6819     0.3289
 64   0     6.2325     6.0000    -0.2325     4.0171     3.6865     0.3306
 65   0     0.9253     1.0000     0.0747     0.9859     0.9330     0.0529
 66   0     0.9151     1.0000     0.0849     0.9860     0.9359     0.0501
 67   0     0.9110     1.0000     0.0890     0.9824     0.9310     0.0514
 68   0     0.9449     1.0000     0.0551     0.9988     0.9424     0.0564
 69   0     0.9195     1.0000     0.0805     0.9876     0.9347     0.0529
 70   0     0.9299     1.0000     0.0701     0.9973     0.9415     0.0558
 71   0     0.8966     1.0000     0.1034     0.9797     0.9279     0.0518
 72   0     0.9082     1.0000     0.0918     0.9907     0.9391     0.0516
 73   0     0.9099     1.0000     0.0901     0.9875     0.9359     0.0516
 74   0     0.9056     1.0000     0.0944     0.9837     0.9326     0.0511
 75   0     6.1541     6.0000    -0.1541     4.0050     3.6859     0.3191
 76   0     6.1819     6.0000    -0.1819     4.0022     3.6834     0.3188
 77   0     6.2046     6.0000    -0.2046     4.0326     3.7110     0.3216
 78   0     6.1216     6.0000    -0.1216     3.9429     3.6121     0.3308
 79   0     6.1976     6.0000    -0.1976     4.0538     3.7231     0.3307
 80   0     0.8984     1.0000     0.1016     0.9802     0.9309     0.0493
 81   0     0.9224     1.0000     0.0776     0.9873     0.9341     0.0532
 82   0     0.9136     1.0000     0.0864     0.9817     0.9308     0.0509
 83   0     0.9094     1.0000     0.0906     0.9844     0.9334     0.0510
 84   0     0.9016     1.0000     0.0984     0.9808     0.9301     0.0507
 85   0     0.9065     1.0000     0.0935     0.9857     0.9357     0.0500
 86   0     0.9587     1.0000     0.0413     0.9969     0.9404     0.0565
 87   0     0.9308     1.0000     0.0692     0.9837     0.9307     0.0530
 88   0     0.9124     1.0000     0.0876     0.9794     0.9256     0.0538
 89   0     0.8932     1.0000     0.1068     0.9831     0.9298     0.0533
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.901628
                0             6               4            6                0.908787
                0             6               5            1                0.950489
                0             6               6            1                0.957016
                1             6               2            6                0.884714
                1             6               7            1                0.962169
                1             6               8            1                0.939226
                2             6               3            6                0.913771
                2             6               9            1                0.950047
                2             6              10            1                0.947259
                3             6               4            6                0.918679
                3             6              11            1                0.950861
                3             6              12            1                0.955818
                4             6              13            1                0.949344
                4             6              14            1                0.944678
               15             6              16            6                0.914412
               15             6              19            6                0.908587
               15             6              20            1                0.942556
               15             6              21            1                0.955413
               16             6              17            6                0.913892
               16             6              22            1                0.955619
               16             6              23            1                0.953689
               17             6              18            6                0.894897
               17             6              24            1                0.955476
               17             6              25            1                0.960150
               18             6              19            6                0.909243
               18             6              26            1                0.940683
               18             6              27            1                0.968628
               19             6              28            1                0.965827
               19             6              29            1                0.953252
               30             6              31            6                0.917116
               30             6              34            6                0.926322
               30             6              35            1                0.959193
               30             6              36            1                0.953087
               31             6              32            6                0.879598
               31             6              37            1                0.949781
               31             6              38            1                0.958447
               32             6              33            6                0.890850
               32             6              39            1                0.952488
               32             6              40            1                0.949186
               33             6              34            6                0.908376
               33             6              41            1                0.946919
               33             6              42            1                0.954662
               34             6              43            1                0.947328
               34             6              44            1                0.952279
               45             6              46            6                0.901796
               45             6              49            6                0.916815
               45             6              50            1                0.964372
               45             6              51            1                0.952702
               46             6              47            6                0.909852
               46             6              52            1                0.949650
               46             6              53            1                0.959660
               47             6              48            6                0.915084
               47             6              54            1                0.949504
               47             6              55            1                0.956314
               48             6              49            6                0.892674
               48             6              56            1                0.949118
               48             6              57            1                0.957506
               49             6              58            1                0.957724
               49             6              59            1                0.937689
               60             6              61            6                0.887868
               60             6              64            6                0.898430
               60             6              65            1                0.960975
               60             6              66            1                0.949842
               61             6              62            6                0.902683
               61             6              67            1                0.947313
               61             6              68            1                0.961844
               62             6              63            6                0.905129
               62             6              69            1                0.943460
               62             6              70            1                0.943440
               63             6              64            6                0.908270
               63             6              71            1                0.942846
               63             6              72            1                0.952404
               64             6              73            1                0.950076
               64             6              74            1                0.948034
               75             6              76            6                0.895898
               75             6              79            6                0.928477
               75             6              80            1                0.946993
               75             6              81            1                0.963239
               76             6              77            6                0.924588
               76             6              82            1                0.960565
               76             6              83            1                0.949568
               77             6              78            6                0.894408
               77             6              84            1                0.948760
               77             6              85            1                0.948308
               78             6              79            6                0.904226
               78             6              86            1                0.943343
               78             6              87            1                0.956574
               79             6              88            1                0.962473
               79             6              89            1                0.932145
# -----------------------------------------------------------
$ 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     6.2527     6.0000    -0.2527     3.9876     3.6666     0.3210
  1   0     6.1919     6.0000    -0.1919     3.9617     3.6395     0.3222
  2   0     6.2513     6.0000    -0.2513     3.9813     3.6548     0.3265
  3   0     6.1928     6.0000    -0.1928     3.9998     3.6949     0.3049
  4   0     6.1816     6.0000    -0.1816     3.9857     3.6713     0.3144
  5   0     0.8834     1.0000     0.1166     0.9716     0.9214     0.0502
  6   0     0.8879     1.0000     0.1121     0.9793     0.9283     0.0510
  7   0     0.9259     1.0000     0.0741     1.0040     0.9512     0.0528
  8   0     0.8891     1.0000     0.1109     0.9774     0.9241     0.0533
  9   0     0.8786     1.0000     0.1214     0.9723     0.9203     0.0520
 10   0     0.8835     1.0000     0.1165     0.9728     0.9222     0.0506
 11   0     0.8877     1.0000     0.1123     0.9821     0.9350     0.0471
 12   0     0.8996     1.0000     0.1004     0.9794     0.9296     0.0498
 13   0     0.8852     1.0000     0.1148     0.9671     0.9155     0.0516
 14   0     0.8967     1.0000     0.1033     0.9794     0.9297     0.0497
 15   0     6.1766     6.0000    -0.1766     3.9717     3.6518     0.3199
 16   0     6.1928     6.0000    -0.1928     4.0022     3.6860     0.3162
 17   0     6.2756     6.0000    -0.2756     4.0138     3.6969     0.3169
 18   0     6.1270     6.0000    -0.1270     3.9698     3.6621     0.3077
 19   0     6.2210     6.0000    -0.2210     4.0237     3.7063     0.3174
 20   0     0.8851     1.0000     0.1149     0.9742     0.9218     0.0524
 21   0     0.9582     1.0000     0.0418     1.0160     0.9576     0.0584
 22   0     0.8799     1.0000     0.1201     0.9769     0.9278     0.0491
 23   0     0.8896     1.0000     0.1104     0.9793     0.9284     0.0509
 24   0     0.9039     1.0000     0.0961     0.9841     0.9318     0.0523
 25   0     0.8724     1.0000     0.1276     0.9687     0.9213     0.0474
 26   0     0.8942     1.0000     0.1058     0.9840     0.9313     0.0527
 27   0     0.9469     1.0000     0.0531     1.0179     0.9681     0.0498
 28   0     0.9139     1.0000     0.0861     0.9997     0.9483     0.0514
 29   0     0.8756     1.0000     0.1244     0.9701     0.9205     0.0496
 30   0     6.1976     6.0000    -0.1976     4.0055     3.6983     0.3072
 31   0     6.2050     6.0000    -0.2050     3.9695     3.6519     0.3176
 32   0     6.2788     6.0000    -0.2788     3.9640     3.6345     0.3295
 33   0     6.2381     6.0000    -0.2381     3.9821     3.6564     0.3257
 34   0     6.1948     6.0000    -0.1948     3.9962     3.6855     0.3107
 35   0     0.8917     1.0000     0.1083     0.9805     0.9327     0.0478
 36   0     0.8926     1.0000     0.1074     0.9802     0.9303     0.0499
 37   0     0.8862     1.0000     0.1138     0.9790     0.9291     0.0499
 38   0     0.8927     1.0000     0.1073     0.9851     0.9360     0.0491
 39   0     0.8948     1.0000     0.1052     0.9792     0.9259     0.0533
 40   0     0.8777     1.0000     0.1223     0.9696     0.9189     0.0507
 41   0     0.8710     1.0000     0.1290     0.9757     0.9263     0.0494
 42   0     0.8927     1.0000     0.1073     0.9733     0.9187     0.0546
 43   0     0.8906     1.0000     0.1094     0.9788     0.9285     0.0503
 44   0     0.8906     1.0000     0.1094     0.9780     0.9271     0.0509
 45   0     6.2190     6.0000    -0.2190     3.9852     3.6720     0.3132
 46   0     6.2261     6.0000    -0.2261     3.9727     3.6586     0.3141
 47   0     6.1839     6.0000    -0.1839     3.9875     3.6822     0.3053
 48   0     6.2267     6.0000    -0.2267     3.9798     3.6607     0.3191
 49   0     6.2073     6.0000    -0.2073     3.9733     3.6490     0.3243
 50   0     0.9314     1.0000     0.0686     1.0139     0.9630     0.0509
 51   0     0.8854     1.0000     0.1146     0.9772     0.9292     0.0480
 52   0     0.8913     1.0000     0.1087     0.9815     0.9314     0.0501
 53   0     0.8887     1.0000     0.1113     0.9799     0.9321     0.0478
 54   0     0.8813     1.0000     0.1187     0.9770     0.9310     0.0460
 55   0     0.9012     1.0000     0.0988     0.9818     0.9321     0.0497
 56   0     0.8931     1.0000     0.1069     0.9758     0.9235     0.0523
 57   0     0.8852     1.0000     0.1148     0.9822     0.9329     0.0493
 58   0     0.8877     1.0000     0.1123     0.9766     0.9271     0.0495
 59   0     0.8917     1.0000     0.1083     0.9903     0.9355     0.0548
 60   0     6.1791     6.0000    -0.1791     3.9267     3.6179     0.3088
 61   0     6.2328     6.0000    -0.2328     3.9597     3.6419     0.3178
 62   0     6.1818     6.0000    -0.1818     3.9550     3.6366     0.3184
 63   0     6.2090     6.0000    -0.2090     3.9957     3.6713     0.3244
 64   0     6.2732     6.0000    -0.2732     3.9936     3.6670     0.3266
 65   0     0.8989     1.0000     0.1011     0.9803     0.9286     0.0517
 66   0     0.8917     1.0000     0.1083     0.9807     0.9317     0.0490
 67   0     0.8863     1.0000     0.1137     0.9761     0.9258     0.0503
 68   0     0.9135     1.0000     0.0865     0.9925     0.9376     0.0549
 69   0     0.8968     1.0000     0.1032     0.9809     0.9291     0.0518
 70   0     0.9043     1.0000     0.0957     0.9986     0.9441     0.0545
 71   0     0.8798     1.0000     0.1202     0.9759     0.9249     0.0510
 72   0     0.8829     1.0000     0.1171     0.9831     0.9327     0.0504
 73   0     0.8861     1.0000     0.1139     0.9785     0.9280     0.0505
 74   0     0.8811     1.0000     0.1189     0.9761     0.9261     0.0500
 75   0     6.2094     6.0000    -0.2094     3.9832     3.6679     0.3153
 76   0     6.2370     6.0000    -0.2370     3.9918     3.6774     0.3144
 77   0     6.2366     6.0000    -0.2366     4.0000     3.6829     0.3171
 78   0     6.1948     6.0000    -0.1948     3.9469     3.6205     0.3264
 79   0     6.2382     6.0000    -0.2382     4.0231     3.6971     0.3260
 80   0     0.8768     1.0000     0.1232     0.9741     0.9258     0.0483
 81   0     0.8929     1.0000     0.1071     0.9768     0.9249     0.0519
 82   0     0.8861     1.0000     0.1139     0.9750     0.9253     0.0497
 83   0     0.8851     1.0000     0.1149     0.9761     0.9262     0.0499
 84   0     0.8787     1.0000     0.1213     0.9767     0.9272     0.0495
 85   0     0.8834     1.0000     0.1166     0.9784     0.9295     0.0489
 86   0     0.9239     1.0000     0.0761     0.9952     0.9404     0.0548
 87   0     0.9044     1.0000     0.0956     0.9759     0.9242     0.0517
 88   0     0.8859     1.0000     0.1141     0.9742     0.9217     0.0525
 89   0     0.8738     1.0000     0.1262     0.9769     0.9245     0.0524
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.911297
                0             6               4            6                0.916221
                0             6               5            1                0.934797
                0             6               6            1                0.942661
                1             6               2            6                0.899614
                1             6               7            1                0.951403
                1             6               8            1                0.923547
                2             6               3            6                0.920870
                2             6               9            1                0.933644
                2             6              10            1                0.932333
                3             6               4            6                0.927349
                3             6              11            1                0.938043
                3             6              12            1                0.941093
                4             6              13            1                0.936649
                4             6              14            1                0.927361
               15             6              16            6                0.925599
               15             6              19            6                0.913869
               15             6              20            1                0.927402
               15             6              21            1                0.941313
               16             6              17            6                0.921374
               16             6              22            1                0.941075
               16             6              23            1                0.938294
               17             6              18            6                0.903767
               17             6              24            1                0.942244
               17             6              25            1                0.943421
               18             6              19            6                0.919835
               18             6              26            1                0.930064
               18             6              27            1                0.956983
               19             6              28            1                0.951935
               19             6              29            1                0.937381
               30             6              31            6                0.914915
               30             6              34            6                0.931307
               30             6              35            1                0.949825
               30             6              36            1                0.940746
               31             6              32            6                0.891832
               31             6              37            1                0.939905
               31             6              38            1                0.947050
               32             6              33            6                0.895952
               32             6              39            1                0.938619
               32             6              40            1                0.937988
               33             6              34            6                0.919854
               33             6              41            1                0.933712
               33             6              42            1                0.940931
               34             6              43            1                0.934794
               34             6              44            1                0.940512
               45             6              46            6                0.901170
               45             6              49            6                0.918792
               45             6              50            1                0.955078
               45             6              51            1                0.940573
               46             6              47            6                0.910430
               46             6              52            1                0.936180
               46             6              53            1                0.950412
               47             6              48            6                0.922484
               47             6              54            1                0.938240
               47             6              55            1                0.946141
               48             6              49            6                0.897586
               48             6              56            1                0.933252
               48             6              57            1                0.946000
               49             6              58            1                0.945457
               49             6              59            1                0.923421
               60             6              61            6                0.893522
               60             6              64            6                0.908488
               60             6              65            1                0.948222
               60             6              66            1                0.938380
               61             6              62            6                0.904767
               61             6              67            1                0.934430
               61             6              68            1                0.946195
               62             6              63            6                0.919776
               62             6              69            1                0.930642
               62             6              70            1                0.934142
               63             6              64            6                0.910259
               63             6              71            1                0.930019
               63             6              72            1                0.938933
               64             6              73            1                0.936336
               64             6              74            1                0.936074
               75             6              76            6                0.907090
               75             6              79            6                0.931292
               75             6              80            1                0.932921
               75             6              81            1                0.948275
               76             6              77            6                0.930638
               76             6              82            1                0.949363
               76             6              83            1                0.934277
               77             6              78            6                0.897039
               77             6              84            1                0.936594
               77             6              85            1                0.935981
               78             6              79            6                0.911694
               78             6              86            1                0.932507
               78             6              87            1                0.941068
               79             6              88            1                0.946764
               79             6              89            1                0.918017
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1891607338
        Correlation Energy:       -5.0778534417
        Total MP2 Energy:      -1176.2670141756
# -----------------------------------------------------------
$ 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) :        0.2565390189
        Electronic Contribution:
                  0    
      0       0.015924
      1      -0.094866
      2       0.034183
        Nuclear Contribution:
                  0    
      0      -0.008033
      1       0.152634
      2       0.048200
        Total Dipole moment:
                  0    
      0       0.007891
      1       0.057768
      2       0.082384
# -----------------------------------------------------------
$ 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) :        0.2580048689
        Electronic Contribution:
                  0    
      0       0.016612
      1      -0.094248
      2       0.034387
        Nuclear Contribution:
                  0    
      0      -0.008033
      1       0.152634
      2       0.048200
        Total Dipole moment:
                  0    
      0       0.008578
      1       0.058387
      2       0.082587
# -----------------------------------------------------------
$ 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) :        0.2514086941
        Electronic Contribution:
                  0    
      0       0.024600
      1      -0.090286
      2       0.026775
        Nuclear Contribution:
                  0    
      0      -0.008033
      1       0.152634
      2       0.048200
        Total Dipole moment:
                  0    
      0       0.016566
      1       0.062349
      2       0.074976
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     23.720000000000   14.380000000000   21.460000000000
               1 C     22.340000000000   14.780000000000   20.850000000000
               2 C     22.690000000000   15.830000000000   19.750000000000
               3 C     24.220000000000   15.750000000000   19.560000000000
               4 C     24.790000000000   15.290000000000   20.860000000000
               5 H     23.880000000000   13.320000000000   21.270000000000
               6 H     23.790000000000   14.490000000000   22.540000000000
               7 H     21.710000000000   15.210000000000   21.580000000000
               8 H     21.880000000000   13.890000000000   20.300000000000
               9 H     22.280000000000   16.800000000000   20.090000000000
              10 H     22.100000000000   15.630000000000   18.840000000000
              11 H     24.760000000000   16.580000000000   19.260000000000
              12 H     24.400000000000   15.010000000000   18.820000000000
              13 H     24.920000000000   16.140000000000   21.560000000000
              14 H     25.700000000000   14.750000000000   20.620000000000
              15 C     19.870000000000   16.850000000000   22.220000000000
              16 C     19.090000000000   15.540000000000   22.600000000000
              17 C     18.150000000000   15.860000000000   23.780000000000
              18 C     18.650000000000   17.200000000000   24.360000000000
              19 C     19.430000000000   17.910000000000   23.260000000000
              20 H     19.590000000000   17.210000000000   21.200000000000
              21 H     20.940000000000   16.680000000000   22.200000000000
              22 H     19.810000000000   14.770000000000   22.770000000000
              23 H     18.540000000000   15.260000000000   21.710000000000
              24 H     18.160000000000   15.050000000000   24.470000000000
              25 H     17.130000000000   15.860000000000   23.550000000000
              26 H     19.200000000000   17.040000000000   25.300000000000
              27 H     17.840000000000   17.760000000000   24.530000000000
              28 H     20.310000000000   18.350000000000   23.650000000000
              29 H     18.860000000000   18.760000000000   22.880000000000
              30 C     22.520000000000   14.060000000000   28.390000000000
              31 C     21.890000000000   14.870000000000   27.190000000000
              32 C     20.410000000000   15.170000000000   27.580000000000
              33 C     20.180000000000   14.510000000000   29.030000000000
              34 C     21.490000000000   13.760000000000   29.430000000000
              35 H     23.280000000000   14.640000000000   28.800000000000
              36 H     22.920000000000   13.150000000000   27.980000000000
              37 H     22.000000000000   14.320000000000   26.270000000000
              38 H     22.400000000000   15.790000000000   27.060000000000
              39 H     19.770000000000   14.790000000000   26.760000000000
              40 H     20.140000000000   16.220000000000   27.580000000000
              41 H     19.220000000000   14.030000000000   29.100000000000
              42 H     20.070000000000   15.340000000000   29.790000000000
              43 H     21.260000000000   12.700000000000   29.500000000000
              44 H     21.870000000000   14.120000000000   30.400000000000
              45 C     15.370000000000   16.360000000000   26.990000000000
              46 C     14.910000000000   17.500000000000   26.020000000000
              47 C     15.740000000000   18.730000000000   26.320000000000
              48 C     16.880000000000   18.260000000000   27.200000000000
              49 C     16.720000000000   16.760000000000   27.620000000000
              50 H     15.370000000000   15.470000000000   26.480000000000
              51 H     14.640000000000   16.220000000000   27.720000000000
              52 H     13.870000000000   17.760000000000   26.170000000000
              53 H     15.060000000000   17.230000000000   25.030000000000
              54 H     15.180000000000   19.500000000000   26.740000000000
              55 H     16.140000000000   18.980000000000   25.370000000000
              56 H     16.930000000000   18.790000000000   28.180000000000
              57 H     17.820000000000   18.370000000000   26.720000000000
              58 H     16.570000000000   16.730000000000   28.680000000000
              59 H     17.660000000000   16.120000000000   27.390000000000
              60 C     15.500000000000   12.080000000000   25.800000000000
              61 C     15.880000000000   12.800000000000   24.560000000000
              62 C     14.860000000000   13.940000000000   24.390000000000
              63 C     13.610000000000   13.630000000000   25.210000000000
              64 C     14.070000000000   12.470000000000   26.250000000000
              65 H     16.240000000000   12.480000000000   26.490000000000
              66 H     15.580000000000   11.030000000000   25.630000000000
              67 H     16.000000000000   12.060000000000   23.770000000000
              68 H     16.900000000000   13.220000000000   24.760000000000
              69 H     14.480000000000   13.800000000000   23.370000000000
              70 H     15.320000000000   14.910000000000   24.620000000000
              71 H     12.830000000000   13.290000000000   24.480000000000
              72 H     13.380000000000   14.480000000000   25.850000000000
              73 H     13.450000000000   11.580000000000   26.250000000000
              74 H     14.060000000000   12.770000000000   27.290000000000
              75 C     23.390000000000   19.670000000000   24.190000000000
              76 C     23.230000000000   18.400000000000   25.040000000000
              77 C     23.580000000000   17.180000000000   24.230000000000
              78 C     23.670000000000   17.720000000000   22.720000000000
              79 C     23.300000000000   19.210000000000   22.710000000000
              80 H     24.200000000000   20.290000000000   24.500000000000
              81 H     22.500000000000   20.260000000000   24.420000000000
              82 H     22.220000000000   18.390000000000   25.380000000000
              83 H     23.820000000000   18.460000000000   25.950000000000
              84 H     22.840000000000   16.410000000000   24.170000000000
              85 H     24.550000000000   16.850000000000   24.550000000000
              86 H     23.130000000000   17.150000000000   21.980000000000
              87 H     24.700000000000   17.760000000000   22.420000000000
              88 H     22.210000000000   19.260000000000   22.480000000000
              89 H     23.910000000000   19.850000000000   21.980000000000
