-------------------------------------------------------------
----------------------- !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:    -1171.1919842020
# -----------------------------------------------------------
$ 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     6.1519     6.0000    -0.1519     3.8989     3.8989    -0.0000
  1   0     6.1561     6.0000    -0.1561     3.8942     3.8942     0.0000
  2   0     6.1762     6.0000    -0.1762     3.8942     3.8942     0.0000
  3   0     6.1617     6.0000    -0.1617     3.8962     3.8962    -0.0000
  4   0     6.1397     6.0000    -0.1397     3.9339     3.9339    -0.0000
  5   0     0.9165     1.0000     0.0835     0.9787     0.9787    -0.0000
  6   0     0.9338     1.0000     0.0662     0.9778     0.9778    -0.0000
  7   0     0.9205     1.0000     0.0795     0.9773     0.9773     0.0000
  8   0     0.9272     1.0000     0.0728     0.9748     0.9748    -0.0000
  9   0     0.9250     1.0000     0.0750     0.9934     0.9934     0.0000
 10   0     0.9244     1.0000     0.0756     0.9763     0.9763     0.0000
 11   0     0.9110     1.0000     0.0890     0.9765     0.9765    -0.0000
 12   0     0.9197     1.0000     0.0803     0.9848     0.9848     0.0000
 13   0     0.9302     1.0000     0.0698     0.9811     0.9811     0.0000
 14   0     0.9078     1.0000     0.0922     0.9746     0.9746     0.0000
 15   0     6.1002     6.0000    -0.1002     3.9292     3.9292    -0.0000
 16   0     6.1869     6.0000    -0.1869     3.8646     3.8646    -0.0000
 17   0     6.2163     6.0000    -0.2163     3.9120     3.9120    -0.0000
 18   0     6.1402     6.0000    -0.1402     3.8783     3.8783    -0.0000
 19   0     6.1559     6.0000    -0.1559     3.9005     3.9005    -0.0000
 20   0     0.9911     1.0000     0.0089     1.0315     1.0315     0.0000
 21   0     0.8991     1.0000     0.1009     0.9679     0.9679    -0.0000
 22   0     0.9221     1.0000     0.0779     0.9761     0.9761     0.0000
 23   0     0.9043     1.0000     0.0957     0.9671     0.9671     0.0000
 24   0     0.9085     1.0000     0.0915     0.9659     0.9659     0.0000
 25   0     0.9063     1.0000     0.0937     0.9690     0.9690    -0.0000
 26   0     0.9149     1.0000     0.0851     0.9693     0.9693    -0.0000
 27   0     0.9106     1.0000     0.0894     0.9737     0.9737    -0.0000
 28   0     0.9172     1.0000     0.0828     0.9719     0.9719    -0.0000
 29   0     0.9213     1.0000     0.0787     0.9697     0.9697    -0.0000
 30   0     6.1735     6.0000    -0.1735     3.9011     3.9011    -0.0000
 31   0     6.1465     6.0000    -0.1465     3.8885     3.8885    -0.0000
 32   0     6.1524     6.0000    -0.1524     3.8662     3.8662     0.0000
 33   0     6.2158     6.0000    -0.2158     3.8860     3.8860     0.0000
 34   0     6.1188     6.0000    -0.1188     3.8914     3.8914     0.0000
 35   0     0.9019     1.0000     0.0981     0.9637     0.9637    -0.0000
 36   0     0.9178     1.0000     0.0822     0.9708     0.9708    -0.0000
 37   0     0.9240     1.0000     0.0760     0.9846     0.9846    -0.0000
 38   0     0.9323     1.0000     0.0677     0.9814     0.9814    -0.0000
 39   0     0.9132     1.0000     0.0868     0.9707     0.9707     0.0000
 40   0     0.9213     1.0000     0.0787     0.9761     0.9761     0.0000
 41   0     0.9203     1.0000     0.0797     0.9793     0.9793     0.0000
 42   0     0.9188     1.0000     0.0812     0.9708     0.9708     0.0000
 43   0     0.8979     1.0000     0.1021     0.9739     0.9739     0.0000
 44   0     0.9405     1.0000     0.0595     0.9874     0.9874     0.0000
 45   0     6.1274     6.0000    -0.1274     3.8939     3.8939    -0.0000
 46   0     6.1577     6.0000    -0.1577     3.8993     3.8993     0.0000
 47   0     6.1873     6.0000    -0.1873     3.8878     3.8878     0.0000
 48   0     6.1676     6.0000    -0.1676     3.8206     3.8206    -0.0000
 49   0     6.1987     6.0000    -0.1987     3.9213     3.9213    -0.0000
 50   0     0.9117     1.0000     0.0883     0.9754     0.9754     0.0000
 51   0     0.9235     1.0000     0.0765     0.9785     0.9785    -0.0000
 52   0     0.9093     1.0000     0.0907     0.9738     0.9738    -0.0000
 53   0     0.9164     1.0000     0.0836     0.9781     0.9781    -0.0000
 54   0     0.9181     1.0000     0.0819     0.9774     0.9774     0.0000
 55   0     0.9034     1.0000     0.0966     0.9717     0.9717    -0.0000
 56   0     0.9146     1.0000     0.0854     0.9670     0.9670    -0.0000
 57   0     0.9369     1.0000     0.0631     0.9711     0.9711    -0.0000
 58   0     0.9122     1.0000     0.0878     0.9726     0.9726    -0.0000
 59   0     0.9123     1.0000     0.0877     0.9735     0.9735    -0.0000
 60   0     6.1562     6.0000    -0.1562     3.8911     3.8911     0.0000
 61   0     6.1582     6.0000    -0.1582     3.9093     3.9093    -0.0000
 62   0     6.1566     6.0000    -0.1566     3.8953     3.8953     0.0000
 63   0     6.2179     6.0000    -0.2179     3.8619     3.8619     0.0000
 64   0     6.1444     6.0000    -0.1444     3.8392     3.8392     0.0000
 65   0     0.9159     1.0000     0.0841     0.9765     0.9765    -0.0000
 66   0     0.9292     1.0000     0.0708     0.9769     0.9769     0.0000
 67   0     0.9144     1.0000     0.0856     0.9777     0.9777    -0.0000
 68   0     0.9150     1.0000     0.0850     0.9809     0.9809     0.0000
 69   0     0.9127     1.0000     0.0873     0.9787     0.9787    -0.0000
 70   0     0.9085     1.0000     0.0915     0.9731     0.9731     0.0000
 71   0     0.8889     1.0000     0.1111     0.9690     0.9690    -0.0000
 72   0     0.9288     1.0000     0.0712     0.9708     0.9708     0.0000
 73   0     0.9421     1.0000     0.0579     0.9744     0.9744    -0.0000
 74   0     0.9106     1.0000     0.0894     0.9681     0.9681     0.0000
 75   0     6.1846     6.0000    -0.1846     3.9267     3.9267     0.0000
 76   0     6.1620     6.0000    -0.1620     3.8994     3.8994     0.0000
 77   0     6.1230     6.0000    -0.1230     3.7926     3.7926    -0.0000
 78   0     6.2094     6.0000    -0.2094     3.8793     3.8793     0.0000
 79   0     6.1171     6.0000    -0.1171     3.8915     3.8915     0.0000
 80   0     0.9188     1.0000     0.0812     0.9711     0.9711     0.0000
 81   0     0.9159     1.0000     0.0841     0.9835     0.9835    -0.0000
 82   0     0.9054     1.0000     0.0946     0.9739     0.9739    -0.0000
 83   0     0.9186     1.0000     0.0814     0.9761     0.9761    -0.0000
 84   0     0.9154     1.0000     0.0846     0.9741     0.9741     0.0000
 85   0     0.9620     1.0000     0.0380     1.0067     1.0067    -0.0000
 86   0     0.9210     1.0000     0.0790     0.9776     0.9776     0.0000
 87   0     0.9252     1.0000     0.0748     0.9760     0.9760     0.0000
 88   0     0.9097     1.0000     0.0903     0.9735     0.9735     0.0000
 89   0     0.9238     1.0000     0.0762     0.9822     0.9822     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                0.966747
                0             6               4            6                0.987423
                0             6               5            1                0.983561
                0             6               6            1                0.995745
                1             6               2            6                0.977493
                1             6               7            1                0.990446
                1             6               8            1                0.994194
                2             6               3            6                0.966464
                2             6               9            1                0.990688
                2             6              10            1                0.993502
                3             6               4            6                0.978829
                3             6              11            1                0.986335
                3             6              12            1                0.994155
                4             6              13            1                0.998093
                4             6              14            1                0.983901
               15             6              16            6                0.973295
               15             6              19            6                0.989941
               15             6              20            1                1.011369
               15             6              21            1                0.980730
               16             6              17            6                0.948653
               16             6              22            1                0.998501
               16             6              23            1                0.989954
               17             6              18            6                0.976311
               17             6              24            1                0.996481
               17             6              25            1                0.990418
               18             6              19            6                0.959941
               18             6              26            1                0.991803
               18             6              27            1                0.992506
               19             6              28            1                0.996901
               19             6              29            1                0.984646
               30             6              31            6                0.970960
               30             6              34            6                0.969553
               30             6              35            1                0.996971
               30             6              36            1                0.990661
               31             6              32            6                0.970062
               31             6              37            1                0.993262
               31             6              38            1                0.988239
               32             6              33            6                0.952870
               32             6              39            1                0.990453
               32             6              40            1                1.000450
               33             6              34            6                0.972902
               33             6              41            1                0.994853
               33             6              42            1                0.998471
               34             6              43            1                0.980917
               34             6              44            1                0.996046
               45             6              46            6                0.976425
               45             6              49            6                0.981625
               45             6              50            1                0.987159
               45             6              51            1                0.995490
               46             6              47            6                0.981651
               46             6              52            1                0.990768
               46             6              53            1                0.993012
               47             6              48            6                0.939174
               47             6              54            1                0.996174
               47             6              55            1                0.990774
               48             6              49            6                0.965764
               48             6              56            1                0.988137
               48             6              57            1                0.997984
               49             6              58            1                0.989850
               49             6              59            1                0.991140
               60             6              61            6                0.969205
               60             6              64            6                0.957765
               60             6              65            1                0.995081
               60             6              66            1                0.996375
               61             6              62            6                0.973145
               61             6              67            1                0.991928
               61             6              68            1                0.994432
               62             6              63            6                0.969280
               62             6              69            1                0.987910
               62             6              70            1                0.990604
               63             6              64            6                0.940617
               63             6              71            1                0.979879
               63             6              72            1                1.001587
               64             6              73            1                0.994964
               64             6              74            1                0.997991
               75             6              76            6                0.981654
               75             6              79            6                0.980632
               75             6              80            1                0.996596
               75             6              81            1                0.996921
               76             6              77            6                0.939970
               76             6              82            1                0.989709
               76             6              83            1                1.000553
               77             6              78            6                0.932899
               77             6              84            1                0.992331
               77             6              85            1                1.005080
               78             6              79            6                0.970119
               78             6              86            1                0.996474
               78             6              87            1                0.995683
               79             6              88            1                0.988078
               79             6              89            1                0.993287
# -----------------------------------------------------------
$ 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     6.1597     6.0000    -0.1597     4.0067     3.6898     0.3169
  1   0     6.1643     6.0000    -0.1643     4.0033     3.6842     0.3191
  2   0     6.1834     6.0000    -0.1834     4.0045     3.6802     0.3243
  3   0     6.1691     6.0000    -0.1691     4.0053     3.6861     0.3192
  4   0     6.1481     6.0000    -0.1481     4.0413     3.7249     0.3164
  5   0     0.9126     1.0000     0.0874     0.9882     0.9358     0.0524
  6   0     0.9298     1.0000     0.0702     0.9878     0.9352     0.0526
  7   0     0.9166     1.0000     0.0834     0.9867     0.9350     0.0517
  8   0     0.9232     1.0000     0.0768     0.9846     0.9318     0.0528
  9   0     0.9215     1.0000     0.0785     1.0034     0.9517     0.0517
 10   0     0.9203     1.0000     0.0797     0.9859     0.9335     0.0524
 11   0     0.9069     1.0000     0.0931     0.9856     0.9361     0.0495
 12   0     0.9157     1.0000     0.0843     0.9940     0.9451     0.0489
 13   0     0.9261     1.0000     0.0739     0.9906     0.9406     0.0500
 14   0     0.9039     1.0000     0.0961     0.9837     0.9342     0.0495
 15   0     6.1088     6.0000    -0.1088     4.0365     3.7084     0.3281
 16   0     6.1952     6.0000    -0.1952     3.9798     3.6474     0.3324
 17   0     6.2260     6.0000    -0.2260     4.0302     3.6961     0.3341
 18   0     6.1476     6.0000    -0.1476     3.9857     3.6665     0.3192
 19   0     6.1647     6.0000    -0.1647     4.0127     3.6905     0.3222
 20   0     0.9866     1.0000     0.0134     1.0431     0.9878     0.0553
 21   0     0.8948     1.0000     0.1052     0.9762     0.9256     0.0506
 22   0     0.9177     1.0000     0.0823     0.9852     0.9321     0.0531
 23   0     0.9001     1.0000     0.0999     0.9759     0.9224     0.0535
 24   0     0.9043     1.0000     0.0957     0.9748     0.9190     0.0558
 25   0     0.9020     1.0000     0.0980     0.9779     0.9263     0.0516
 26   0     0.9110     1.0000     0.0890     0.9787     0.9259     0.0528
 27   0     0.9063     1.0000     0.0937     0.9827     0.9310     0.0517
 28   0     0.9126     1.0000     0.0874     0.9808     0.9282     0.0526
 29   0     0.9177     1.0000     0.0823     0.9805     0.9295     0.0510
 30   0     6.1818     6.0000    -0.1818     4.0107     3.6923     0.3184
 31   0     6.1537     6.0000    -0.1537     3.9952     3.6777     0.3175
 32   0     6.1612     6.0000    -0.1612     3.9778     3.6522     0.3256
 33   0     6.2228     6.0000    -0.2228     3.9975     3.6734     0.3241
 34   0     6.1266     6.0000    -0.1266     3.9979     3.6801     0.3178
 35   0     0.8979     1.0000     0.1021     0.9726     0.9245     0.0481
 36   0     0.9135     1.0000     0.0865     0.9802     0.9266     0.0536
 37   0     0.9199     1.0000     0.0801     0.9938     0.9430     0.0508
 38   0     0.9287     1.0000     0.0713     0.9917     0.9352     0.0565
 39   0     0.9095     1.0000     0.0905     0.9801     0.9252     0.0549
 40   0     0.9175     1.0000     0.0825     0.9855     0.9315     0.0540
 41   0     0.9164     1.0000     0.0836     0.9888     0.9374     0.0514
 42   0     0.9152     1.0000     0.0848     0.9807     0.9246     0.0561
 43   0     0.8938     1.0000     0.1062     0.9822     0.9335     0.0487
 44   0     0.9372     1.0000     0.0628     0.9986     0.9427     0.0559
 45   0     6.1349     6.0000    -0.1349     4.0001     3.6844     0.3157
 46   0     6.1652     6.0000    -0.1652     4.0076     3.6874     0.3202
 47   0     6.1949     6.0000    -0.1949     3.9999     3.6734     0.3265
 48   0     6.1752     6.0000    -0.1752     3.9360     3.6020     0.3340
 49   0     6.2061     6.0000    -0.2061     4.0314     3.7030     0.3284
 50   0     0.9079     1.0000     0.0921     0.9846     0.9349     0.0497
 51   0     0.9197     1.0000     0.0803     0.9881     0.9344     0.0537
 52   0     0.9055     1.0000     0.0945     0.9829     0.9321     0.0508
 53   0     0.9127     1.0000     0.0873     0.9876     0.9329     0.0547
 54   0     0.9143     1.0000     0.0857     0.9867     0.9340     0.0527
 55   0     0.8998     1.0000     0.1002     0.9807     0.9297     0.0510
 56   0     0.9108     1.0000     0.0892     0.9769     0.9215     0.0554
 57   0     0.9328     1.0000     0.0672     0.9816     0.9242     0.0574
 58   0     0.9085     1.0000     0.0915     0.9819     0.9276     0.0543
 59   0     0.9086     1.0000     0.0914     0.9827     0.9287     0.0540
 60   0     6.1638     6.0000    -0.1638     3.9996     3.6766     0.3230
 61   0     6.1651     6.0000    -0.1651     4.0158     3.7020     0.3138
 62   0     6.1637     6.0000    -0.1637     4.0039     3.6781     0.3258
 63   0     6.2256     6.0000    -0.2256     3.9777     3.6402     0.3375
 64   0     6.1524     6.0000    -0.1524     3.9492     3.6266     0.3226
 65   0     0.9120     1.0000     0.0880     0.9859     0.9345     0.0514
 66   0     0.9256     1.0000     0.0744     0.9870     0.9311     0.0559
 67   0     0.9107     1.0000     0.0893     0.9871     0.9381     0.0490
 68   0     0.9112     1.0000     0.0888     0.9901     0.9411     0.0490
 69   0     0.9091     1.0000     0.0909     0.9882     0.9353     0.0529
 70   0     0.9047     1.0000     0.0953     0.9824     0.9293     0.0531
 71   0     0.8851     1.0000     0.1149     0.9774     0.9241     0.0533
 72   0     0.9250     1.0000     0.0750     0.9810     0.9208     0.0602
 73   0     0.9383     1.0000     0.0617     0.9853     0.9282     0.0571
 74   0     0.9066     1.0000     0.0934     0.9772     0.9256     0.0516
 75   0     6.1915     6.0000    -0.1915     4.0338     3.7146     0.3192
 76   0     6.1702     6.0000    -0.1702     4.0102     3.6877     0.3225
 77   0     6.1299     6.0000    -0.1299     3.9039     3.5772     0.3267
 78   0     6.2162     6.0000    -0.2162     3.9933     3.6601     0.3332
 79   0     6.1255     6.0000    -0.1255     3.9986     3.6792     0.3194
 80   0     0.9150     1.0000     0.0850     0.9807     0.9257     0.0550
 81   0     0.9123     1.0000     0.0877     0.9930     0.9434     0.0496
 82   0     0.9017     1.0000     0.0983     0.9830     0.9320     0.0510
 83   0     0.9147     1.0000     0.0853     0.9852     0.9346     0.0506
 84   0     0.9111     1.0000     0.0889     0.9833     0.9319     0.0514
 85   0     0.9590     1.0000     0.0410     1.0191     0.9623     0.0568
 86   0     0.9169     1.0000     0.0831     0.9872     0.9357     0.0515
 87   0     0.9217     1.0000     0.0783     0.9866     0.9311     0.0555
 88   0     0.9059     1.0000     0.0941     0.9827     0.9309     0.0518
 89   0     0.9199     1.0000     0.0801     0.9915     0.9413     0.0502
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.906167
                0             6               4            6                0.924866
                0             6               5            1                0.942490
                0             6               6            1                0.954365
                1             6               2            6                0.913666
                1             6               7            1                0.949652
                1             6               8            1                0.952668
                2             6               3            6                0.901756
                2             6               9            1                0.950365
                2             6              10            1                0.951623
                3             6               4            6                0.914608
                3             6              11            1                0.947141
                3             6              12            1                0.955573
                4             6              13            1                0.958612
                4             6              14            1                0.945077
               15             6              16            6                0.905556
               15             6              19            6                0.924818
               15             6              20            1                0.968506
               15             6              21            1                0.939527
               16             6              17            6                0.887906
               16             6              22            1                0.955639
               16             6              23            1                0.946265
               17             6              18            6                0.912506
               17             6              24            1                0.950484
               17             6              25            1                0.948909
               18             6              19            6                0.899656
               18             6              26            1                0.949151
               18             6              27            1                0.951092
               19             6              28            1                0.954182
               19             6              29            1                0.945565
               30             6              31            6                0.910059
               30             6              34            6                0.906400
               30             6              35            1                0.958494
               30             6              36            1                0.947658
               31             6              32            6                0.908571
               31             6              37            1                0.952992
               31             6              38            1                0.943521
               32             6              33            6                0.890786
               32             6              39            1                0.946478
               32             6              40            1                0.956929
               33             6              34            6                0.911012
               33             6              41            1                0.954274
               33             6              42            1                0.953424
               34             6              43            1                0.942069
               34             6              44            1                0.952459
               45             6              46            6                0.916566
               45             6              49            6                0.917053
               45             6              50            1                0.948174
               45             6              51            1                0.952664
               46             6              47            6                0.917013
               46             6              52            1                0.950294
               46             6              53            1                0.949315
               47             6              48            6                0.876046
               47             6              54            1                0.954100
               47             6              55            1                0.950281
               48             6              49            6                0.903159
               48             6              56            1                0.943537
               48             6              57            1                0.951835
               49             6              58            1                0.946146
               49             6              59            1                0.947676
               60             6              61            6                0.906326
               60             6              64            6                0.894964
               60             6              65            1                0.954382
               60             6              66            1                0.951665
               61             6              62            6                0.909656
               61             6              67            1                0.953559
               61             6              68            1                0.955976
               62             6              63            6                0.903740
               62             6              69            1                0.945997
               62             6              70            1                0.948111
               63             6              64            6                0.880095
               63             6              71            1                0.936687
               63             6              72            1                0.952558
               64             6              73            1                0.949939
               64             6              74            1                0.956401
               75             6              76            6                0.917975
               75             6              79            6                0.918513
               75             6              80            1                0.952233
               75             6              81            1                0.958163
               76             6              77            6                0.876793
               76             6              82            1                0.949339
               76             6              83            1                0.960012
               77             6              78            6                0.867846
               77             6              84            1                0.951151
               77             6              85            1                0.961356
               78             6              79            6                0.904229
               78             6              86            1                0.955560
               78             6              87            1                0.951793
               79             6              88            1                0.946847
               79             6              89            1                0.953577
# -----------------------------------------------------------
$ 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     6.2059     6.0000    -0.2059     3.9821     3.6694     0.3127
  1   0     6.2106     6.0000    -0.2106     3.9786     3.6636     0.3150
  2   0     6.2334     6.0000    -0.2334     3.9882     3.6681     0.3201
  3   0     6.2146     6.0000    -0.2146     3.9994     3.6844     0.3150
  4   0     6.2052     6.0000    -0.2052     4.0228     3.7099     0.3129
  5   0     0.8890     1.0000     0.1110     0.9799     0.9286     0.0513
  6   0     0.9037     1.0000     0.0963     0.9796     0.9281     0.0515
  7   0     0.8910     1.0000     0.1090     0.9784     0.9278     0.0506
  8   0     0.8994     1.0000     0.1006     0.9768     0.9250     0.0518
  9   0     0.8968     1.0000     0.1032     0.9976     0.9470     0.0506
 10   0     0.8925     1.0000     0.1075     0.9762     0.9250     0.0512
 11   0     0.8863     1.0000     0.1137     0.9800     0.9315     0.0485
 12   0     0.8914     1.0000     0.1086     0.9852     0.9374     0.0478
 13   0     0.8977     1.0000     0.1023     0.9804     0.9315     0.0489
 14   0     0.8833     1.0000     0.1167     0.9781     0.9295     0.0486
 15   0     6.1688     6.0000    -0.1688     3.9989     3.6749     0.3240
 16   0     6.2419     6.0000    -0.2419     3.9631     3.6356     0.3275
 17   0     6.2768     6.0000    -0.2768     4.0223     3.6933     0.3290
 18   0     6.1825     6.0000    -0.1825     3.9394     3.6249     0.3145
 19   0     6.2250     6.0000    -0.2250     3.9953     3.6777     0.3176
 20   0     0.9527     1.0000     0.0473     1.0400     0.9863     0.0537
 21   0     0.8735     1.0000     0.1265     0.9740     0.9247     0.0493
 22   0     0.8912     1.0000     0.1088     0.9815     0.9297     0.0518
 23   0     0.8773     1.0000     0.1227     0.9717     0.9194     0.0523
 24   0     0.8760     1.0000     0.1240     0.9677     0.9135     0.0542
 25   0     0.8813     1.0000     0.1187     0.9729     0.9225     0.0504
 26   0     0.8855     1.0000     0.1145     0.9763     0.9250     0.0513
 27   0     0.8863     1.0000     0.1137     0.9778     0.9273     0.0505
 28   0     0.8838     1.0000     0.1162     0.9744     0.9232     0.0512
 29   0     0.8984     1.0000     0.1016     0.9865     0.9368     0.0497
 30   0     6.2340     6.0000    -0.2340     3.9929     3.6790     0.3139
 31   0     6.2016     6.0000    -0.2016     3.9736     3.6605     0.3131
 32   0     6.2123     6.0000    -0.2123     3.9608     3.6396     0.3212
 33   0     6.2622     6.0000    -0.2622     3.9791     3.6596     0.3195
 34   0     6.1881     6.0000    -0.1881     3.9871     3.6731     0.3140
 35   0     0.8698     1.0000     0.1302     0.9681     0.9214     0.0467
 36   0     0.8922     1.0000     0.1078     0.9743     0.9217     0.0526
 37   0     0.8945     1.0000     0.1055     0.9848     0.9351     0.0497
 38   0     0.9024     1.0000     0.0976     0.9890     0.9338     0.0552
 39   0     0.8863     1.0000     0.1137     0.9728     0.9189     0.0539
 40   0     0.8912     1.0000     0.1088     0.9773     0.9245     0.0528
 41   0     0.8891     1.0000     0.1109     0.9787     0.9285     0.0502
 42   0     0.8907     1.0000     0.1093     0.9745     0.9195     0.0550
 43   0     0.8745     1.0000     0.1255     0.9777     0.9299     0.0478
 44   0     0.9058     1.0000     0.0942     0.9940     0.9395     0.0545
 45   0     6.1922     6.0000    -0.1922     3.9976     3.6860     0.3116
 46   0     6.2134     6.0000    -0.2134     4.0001     3.6842     0.3159
 47   0     6.2405     6.0000    -0.2405     3.9874     3.6650     0.3224
 48   0     6.2225     6.0000    -0.2225     3.9478     3.6186     0.3292
 49   0     6.2426     6.0000    -0.2426     4.0154     3.6916     0.3238
 50   0     0.8858     1.0000     0.1142     0.9778     0.9291     0.0487
 51   0     0.8942     1.0000     0.1058     0.9784     0.9258     0.0526
 52   0     0.8834     1.0000     0.1166     0.9752     0.9253     0.0499
 53   0     0.8885     1.0000     0.1115     0.9776     0.9240     0.0536
 54   0     0.8890     1.0000     0.1110     0.9762     0.9246     0.0516
 55   0     0.8780     1.0000     0.1220     0.9730     0.9230     0.0500
 56   0     0.8866     1.0000     0.1134     0.9698     0.9157     0.0541
 57   0     0.9059     1.0000     0.0941     0.9732     0.9170     0.0562
 58   0     0.8863     1.0000     0.1137     0.9742     0.9209     0.0533
 59   0     0.8857     1.0000     0.1143     0.9747     0.9217     0.0530
 60   0     6.2087     6.0000    -0.2087     3.9732     3.6543     0.3189
 61   0     6.2207     6.0000    -0.2207     4.0080     3.6980     0.3100
 62   0     6.2129     6.0000    -0.2129     3.9964     3.6746     0.3218
 63   0     6.2584     6.0000    -0.2584     3.9649     3.6327     0.3322
 64   0     6.2123     6.0000    -0.2123     3.9399     3.6215     0.3184
 65   0     0.8908     1.0000     0.1092     0.9780     0.9276     0.0504
 66   0     0.8984     1.0000     0.1016     0.9839     0.9293     0.0546
 67   0     0.8857     1.0000     0.1143     0.9782     0.9303     0.0479
 68   0     0.8859     1.0000     0.1141     0.9801     0.9321     0.0480
 69   0     0.8858     1.0000     0.1142     0.9801     0.9283     0.0518
 70   0     0.8829     1.0000     0.1171     0.9741     0.9220     0.0521
 71   0     0.8641     1.0000     0.1359     0.9722     0.9200     0.0522
 72   0     0.9005     1.0000     0.0995     0.9725     0.9133     0.0592
 73   0     0.9069     1.0000     0.0931     0.9792     0.9236     0.0556
 74   0     0.8833     1.0000     0.1167     0.9707     0.9201     0.0506
 75   0     6.2369     6.0000    -0.2369     4.0106     3.6957     0.3149
 76   0     6.2226     6.0000    -0.2226     3.9924     3.6737     0.3187
 77   0     6.1913     6.0000    -0.1913     3.9057     3.5835     0.3222
 78   0     6.2534     6.0000    -0.2534     3.9660     3.6375     0.3285
 79   0     6.1842     6.0000    -0.1842     3.9896     3.6741     0.3155
 80   0     0.8898     1.0000     0.1102     0.9729     0.9190     0.0539
 81   0     0.8864     1.0000     0.1136     0.9833     0.9348     0.0485
 82   0     0.8792     1.0000     0.1208     0.9756     0.9256     0.0500
 83   0     0.8876     1.0000     0.1124     0.9767     0.9272     0.0495
 84   0     0.8847     1.0000     0.1153     0.9748     0.9246     0.0502
 85   0     0.9294     1.0000     0.0706     1.0116     0.9562     0.0554
 86   0     0.8906     1.0000     0.1094     0.9761     0.9257     0.0504
 87   0     0.8976     1.0000     0.1024     0.9862     0.9320     0.0542
 88   0     0.8837     1.0000     0.1163     0.9759     0.9251     0.0508
 89   0     0.8939     1.0000     0.1061     0.9829     0.9338     0.0491
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.914767
                0             6               4            6                0.930693
                0             6               5            1                0.928415
                0             6               6            1                0.940489
                1             6               2            6                0.920815
                1             6               7            1                0.936110
                1             6               8            1                0.936864
                2             6               3            6                0.911178
                2             6               9            1                0.937211
                2             6              10            1                0.939441
                3             6               4            6                0.923604
                3             6              11            1                0.937300
                3             6              12            1                0.944871
                4             6              13            1                0.946404
                4             6              14            1                0.933563
               15             6              16            6                0.903115
               15             6              19            6                0.928945
               15             6              20            1                0.954439
               15             6              21            1                0.925594
               16             6              17            6                0.907351
               16             6              22            1                0.937845
               16             6              23            1                0.930626
               17             6              18            6                0.912743
               17             6              24            1                0.930085
               17             6              25            1                0.933000
               18             6              19            6                0.906109
               18             6              26            1                0.934455
               18             6              27            1                0.932695
               19             6              28            1                0.935270
               19             6              29            1                0.936641
               30             6              31            6                0.914226
               30             6              34            6                0.912095
               30             6              35            1                0.950767
               30             6              36            1                0.931191
               31             6              32            6                0.917738
               31             6              37            1                0.940553
               31             6              38            1                0.929014
               32             6              33            6                0.902595
               32             6              39            1                0.928740
               32             6              40            1                0.942682
               33             6              34            6                0.920362
               33             6              41            1                0.941024
               33             6              42            1                0.936823
               34             6              43            1                0.930098
               34             6              44            1                0.940466
               45             6              46            6                0.934834
               45             6              49            6                0.924805
               45             6              50            1                0.936819
               45             6              51            1                0.936601
               46             6              47            6                0.924290
               46             6              52            1                0.937583
               46             6              53            1                0.932021
               47             6              48            6                0.890884
               47             6              54            1                0.938509
               47             6              55            1                0.936449
               48             6              49            6                0.919429
               48             6              56            1                0.927430
               48             6              57            1                0.938225
               49             6              58            1                0.931570
               49             6              59            1                0.932867
               60             6              61            6                0.913434
               60             6              64            6                0.902018
               60             6              65            1                0.939234
               60             6              66            1                0.938698
               61             6              62            6                0.920375
               61             6              67            1                0.942598
               61             6              68            1                0.944626
               62             6              63            6                0.916549
               62             6              69            1                0.934214
               62             6              70            1                0.934669
               63             6              64            6                0.894524
               63             6              71            1                0.923348
               63             6              72            1                0.934726
               64             6              73            1                0.934611
               64             6              74            1                0.944208
               75             6              76            6                0.922188
               75             6              79            6                0.929440
               75             6              80            1                0.937920
               75             6              81            1                0.946433
               76             6              77            6                0.886513
               76             6              82            1                0.934482
               76             6              83            1                0.949028
               77             6              78            6                0.877510
               77             6              84            1                0.938605
               77             6              85            1                0.948885
               78             6              79            6                0.908438
               78             6              86            1                0.941314
               78             6              87            1                0.935323
               79             6              88            1                0.933623
               79             6              89            1                0.943655
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1919842020
        Correlation Energy:       -5.0765216369
        Total MP2 Energy:      -1176.2685058388
# -----------------------------------------------------------
$ 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) :        0.0907461588
        Electronic Contribution:
                  0    
      0      -0.299218
      1       0.265304
      2      -0.319416
        Nuclear Contribution:
                  0    
      0       0.273135
      1      -0.241002
      2       0.321336
        Total Dipole moment:
                  0    
      0      -0.026083
      1       0.024302
      2       0.001920
# -----------------------------------------------------------
$ 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) :        0.0919927103
        Electronic Contribution:
                  0    
      0      -0.299379
      1       0.265782
      2      -0.318678
        Nuclear Contribution:
                  0    
      0       0.273135
      1      -0.241002
      2       0.321336
        Total Dipole moment:
                  0    
      0      -0.026244
      1       0.024780
      2       0.002658
# -----------------------------------------------------------
$ 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) :        0.0765247397
        Electronic Contribution:
                  0    
      0      -0.289608
      1       0.263362
      2      -0.309713
        Nuclear Contribution:
                  0    
      0       0.273135
      1      -0.241002
      2       0.321336
        Total Dipole moment:
                  0    
      0      -0.016472
      1       0.022360
      2       0.011623
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     22.860000000000   22.270000000000   23.670000000000
               1 C     22.440000000000   21.400000000000   24.820000000000
               2 C     21.510000000000   20.340000000000   24.170000000000
               3 C     21.890000000000   20.220000000000   22.650000000000
               4 C     22.930000000000   21.370000000000   22.430000000000
               5 H     23.780000000000   22.820000000000   23.950000000000
               6 H     22.050000000000   22.990000000000   23.560000000000
               7 H     21.940000000000   21.990000000000   25.590000000000
               8 H     23.330000000000   20.950000000000   25.300000000000
               9 H     20.480000000000   20.530000000000   24.390000000000
              10 H     21.770000000000   19.410000000000   24.660000000000
              11 H     21.030000000000   20.360000000000   22.030000000000
              12 H     22.390000000000   19.310000000000   22.540000000000
              13 H     22.560000000000   21.990000000000   21.670000000000
              14 H     23.930000000000   21.050000000000   22.200000000000
              15 C     17.360000000000   18.200000000000   24.180000000000
              16 C     16.050000000000   17.850000000000   23.390000000000
              17 C     15.810000000000   19.000000000000   22.430000000000
              18 C     16.870000000000   20.070000000000   22.700000000000
              19 C     17.960000000000   19.470000000000   23.530000000000
              20 H     18.030000000000   17.410000000000   23.900000000000
              21 H     17.150000000000   18.220000000000   25.250000000000
              22 H     15.270000000000   17.650000000000   24.140000000000
              23 H     16.220000000000   16.880000000000   22.860000000000
              24 H     14.780000000000   19.500000000000   22.510000000000
              25 H     15.870000000000   18.570000000000   21.430000000000
              26 H     16.460000000000   20.860000000000   23.320000000000
              27 H     17.110000000000   20.490000000000   21.720000000000
              28 H     18.220000000000   20.170000000000   24.350000000000
              29 H     18.790000000000   19.290000000000   22.920000000000
              30 C     20.290000000000   16.050000000000   22.910000000000
              31 C     20.430000000000   16.760000000000   21.600000000000
              32 C     19.670000000000   15.950000000000   20.550000000000
              33 C     18.840000000000   14.930000000000   21.330000000000
              34 C     19.310000000000   14.860000000000   22.780000000000
              35 H     19.990000000000   16.730000000000   23.620000000000
              36 H     21.330000000000   15.710000000000   23.180000000000
              37 H     21.480000000000   16.770000000000   21.380000000000
              38 H     20.010000000000   17.820000000000   21.650000000000
              39 H     20.290000000000   15.420000000000   19.750000000000
              40 H     18.970000000000   16.560000000000   19.930000000000
              41 H     18.890000000000   13.950000000000   20.900000000000
              42 H     17.780000000000   15.260000000000   21.090000000000
              43 H     19.680000000000   13.880000000000   23.030000000000
              44 H     18.450000000000   15.100000000000   23.430000000000
              45 C     12.870000000000   20.930000000000   18.260000000000
              46 C     13.350000000000   22.350000000000   18.440000000000
              47 C     14.720000000000   22.310000000000   19.210000000000
              48 C     14.620000000000   20.940000000000   19.970000000000
              49 C     13.460000000000   20.080000000000   19.430000000000
              50 H     13.120000000000   20.570000000000   17.290000000000
              51 H     11.770000000000   20.810000000000   18.390000000000
              52 H     12.650000000000   22.970000000000   18.990000000000
              53 H     13.550000000000   22.920000000000   17.480000000000
              54 H     14.810000000000   23.140000000000   19.920000000000
              55 H     15.680000000000   22.380000000000   18.710000000000
              56 H     14.610000000000   20.970000000000   21.090000000000
              57 H     15.610000000000   20.410000000000   19.810000000000
              58 H     12.630000000000   19.860000000000   20.180000000000
              59 H     13.850000000000   19.090000000000   19.060000000000
              60 C     14.190000000000   14.650000000000   25.160000000000
              61 C     13.140000000000   14.310000000000   24.070000000000
              62 C     13.860000000000   13.280000000000   23.130000000000
              63 C     15.380000000000   13.130000000000   23.600000000000
              64 C     15.530000000000   13.960000000000   24.840000000000
              65 H     13.900000000000   14.290000000000   26.140000000000
              66 H     14.450000000000   15.750000000000   25.230000000000
              67 H     12.850000000000   15.210000000000   23.640000000000
              68 H     12.250000000000   13.960000000000   24.500000000000
              69 H     13.830000000000   13.600000000000   22.070000000000
              70 H     13.330000000000   12.300000000000   23.200000000000
              71 H     16.160000000000   13.190000000000   22.770000000000
              72 H     15.610000000000   12.090000000000   24.110000000000
              73 H     16.310000000000   14.760000000000   24.680000000000
              74 H     15.970000000000   13.330000000000   25.620000000000
              75 C     13.720000000000   20.420000000000   27.430000000000
              76 C     13.310000000000   20.700000000000   25.940000000000
              77 C     14.670000000000   20.750000000000   25.180000000000
              78 C     15.870000000000   20.650000000000   26.210000000000
              79 C     15.230000000000   20.420000000000   27.650000000000
              80 H     13.340000000000   19.390000000000   27.720000000000
              81 H     13.280000000000   21.080000000000   28.110000000000
              82 H     12.710000000000   21.580000000000   25.700000000000
              83 H     12.760000000000   19.890000000000   25.510000000000
              84 H     14.770000000000   21.640000000000   24.570000000000
              85 H     14.690000000000   19.900000000000   24.520000000000
              86 H     16.360000000000   21.600000000000   26.210000000000
              87 H     16.670000000000   19.940000000000   25.910000000000
              88 H     15.530000000000   21.220000000000   28.360000000000
              89 H     15.540000000000   19.460000000000   27.980000000000
