-------------------------------------------------------------
----------------------- !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:    -1171.2308388440
# -----------------------------------------------------------
$ 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     6.1440     6.0000    -0.1440     3.9097     3.9097    -0.0000
  1   0     6.1786     6.0000    -0.1786     3.9059     3.9059    -0.0000
  2   0     6.1161     6.0000    -0.1161     3.8392     3.8392    -0.0000
  3   0     6.2256     6.0000    -0.2256     3.9121     3.9121     0.0000
  4   0     6.1141     6.0000    -0.1141     3.9164     3.9164    -0.0000
  5   0     0.9183     1.0000     0.0817     0.9785     0.9785    -0.0000
  6   0     0.9397     1.0000     0.0603     0.9833     0.9833    -0.0000
  7   0     0.9182     1.0000     0.0818     0.9739     0.9739    -0.0000
  8   0     0.9210     1.0000     0.0790     0.9732     0.9732     0.0000
  9   0     0.9703     1.0000     0.0297     1.0198     1.0198    -0.0000
 10   0     0.9084     1.0000     0.0916     0.9728     0.9728    -0.0000
 11   0     0.9090     1.0000     0.0910     0.9727     0.9727     0.0000
 12   0     0.9102     1.0000     0.0898     0.9726     0.9726     0.0000
 13   0     0.9163     1.0000     0.0837     0.9805     0.9805    -0.0000
 14   0     0.9194     1.0000     0.0806     0.9794     0.9794     0.0000
 15   0     6.2189     6.0000    -0.2189     3.9385     3.9385     0.0000
 16   0     6.0994     6.0000    -0.0994     3.8301     3.8301     0.0000
 17   0     6.2083     6.0000    -0.2083     3.9417     3.9417     0.0000
 18   0     6.1163     6.0000    -0.1163     3.9185     3.9185     0.0000
 19   0     6.1877     6.0000    -0.1877     3.8751     3.8751    -0.0000
 20   0     0.9051     1.0000     0.0949     0.9721     0.9721     0.0000
 21   0     0.9167     1.0000     0.0833     0.9782     0.9782     0.0000
 22   0     0.9203     1.0000     0.0797     0.9759     0.9759     0.0000
 23   0     0.9269     1.0000     0.0731     0.9874     0.9874     0.0000
 24   0     0.9108     1.0000     0.0892     0.9783     0.9783     0.0000
 25   0     0.9167     1.0000     0.0833     0.9667     0.9667     0.0000
 26   0     0.9026     1.0000     0.0974     0.9767     0.9767    -0.0000
 27   0     0.9158     1.0000     0.0842     0.9768     0.9768     0.0000
 28   0     0.9071     1.0000     0.0929     0.9682     0.9682    -0.0000
 29   0     0.9395     1.0000     0.0605     0.9717     0.9717    -0.0000
 30   0     6.1758     6.0000    -0.1758     3.9027     3.9027     0.0000
 31   0     6.1775     6.0000    -0.1775     3.8965     3.8965     0.0000
 32   0     6.1781     6.0000    -0.1781     3.8682     3.8682     0.0000
 33   0     6.1424     6.0000    -0.1424     3.8931     3.8931     0.0000
 34   0     6.1451     6.0000    -0.1451     3.8809     3.8809     0.0000
 35   0     0.9144     1.0000     0.0856     0.9755     0.9755     0.0000
 36   0     0.9104     1.0000     0.0896     0.9742     0.9742    -0.0000
 37   0     0.9038     1.0000     0.0962     0.9719     0.9719     0.0000
 38   0     0.9191     1.0000     0.0809     0.9808     0.9808     0.0000
 39   0     0.9472     1.0000     0.0528     0.9790     0.9790     0.0000
 40   0     0.9035     1.0000     0.0965     0.9697     0.9697    -0.0000
 41   0     0.9287     1.0000     0.0713     0.9858     0.9858     0.0000
 42   0     0.9239     1.0000     0.0761     0.9807     0.9807     0.0000
 43   0     0.9234     1.0000     0.0766     0.9803     0.9803     0.0000
 44   0     0.9087     1.0000     0.0913     0.9734     0.9734     0.0000
 45   0     6.1734     6.0000    -0.1734     3.9081     3.9081    -0.0000
 46   0     6.1310     6.0000    -0.1310     3.8923     3.8923     0.0000
 47   0     6.1882     6.0000    -0.1882     3.8796     3.8796     0.0000
 48   0     6.2006     6.0000    -0.2006     3.8816     3.8816    -0.0000
 49   0     6.1572     6.0000    -0.1572     3.8804     3.8804    -0.0000
 50   0     0.9118     1.0000     0.0882     0.9757     0.9757     0.0000
 51   0     0.9215     1.0000     0.0785     0.9750     0.9750     0.0000
 52   0     0.9237     1.0000     0.0763     0.9804     0.9804    -0.0000
 53   0     0.9061     1.0000     0.0939     0.9782     0.9782     0.0000
 54   0     0.9154     1.0000     0.0846     0.9714     0.9714    -0.0000
 55   0     0.9162     1.0000     0.0838     0.9755     0.9755    -0.0000
 56   0     0.9113     1.0000     0.0887     0.9727     0.9727     0.0000
 57   0     0.9104     1.0000     0.0896     0.9707     0.9707    -0.0000
 58   0     0.9122     1.0000     0.0878     0.9716     0.9716     0.0000
 59   0     0.9206     1.0000     0.0794     0.9783     0.9783    -0.0000
 60   0     6.1519     6.0000    -0.1519     3.9011     3.9011     0.0000
 61   0     6.1429     6.0000    -0.1429     3.8974     3.8974     0.0000
 62   0     6.1875     6.0000    -0.1875     3.8929     3.8929     0.0000
 63   0     6.1777     6.0000    -0.1777     3.8856     3.8856    -0.0000
 64   0     6.1539     6.0000    -0.1539     3.8998     3.8998     0.0000
 65   0     0.9286     1.0000     0.0714     0.9762     0.9762    -0.0000
 66   0     0.9044     1.0000     0.0956     0.9717     0.9717     0.0000
 67   0     0.9162     1.0000     0.0838     0.9727     0.9727    -0.0000
 68   0     0.9294     1.0000     0.0706     0.9774     0.9774     0.0000
 69   0     0.9217     1.0000     0.0783     0.9755     0.9755     0.0000
 70   0     0.9101     1.0000     0.0899     0.9729     0.9729    -0.0000
 71   0     0.9191     1.0000     0.0809     0.9712     0.9712     0.0000
 72   0     0.9123     1.0000     0.0877     0.9766     0.9766     0.0000
 73   0     0.9237     1.0000     0.0763     0.9789     0.9789     0.0000
 74   0     0.9176     1.0000     0.0824     0.9740     0.9740     0.0000
 75   0     6.1771     6.0000    -0.1771     3.8667     3.8667     0.0000
 76   0     6.1796     6.0000    -0.1796     3.8966     3.8966     0.0000
 77   0     6.1544     6.0000    -0.1544     3.8782     3.8782     0.0000
 78   0     6.1853     6.0000    -0.1853     3.9053     3.9053     0.0000
 79   0     6.1335     6.0000    -0.1335     3.8937     3.8937     0.0000
 80   0     0.9212     1.0000     0.0788     0.9746     0.9746     0.0000
 81   0     0.9285     1.0000     0.0715     0.9737     0.9737     0.0000
 82   0     0.9175     1.0000     0.0825     0.9733     0.9733     0.0000
 83   0     0.9159     1.0000     0.0841     0.9734     0.9734    -0.0000
 84   0     0.9137     1.0000     0.0863     0.9723     0.9723    -0.0000
 85   0     0.9208     1.0000     0.0792     0.9767     0.9767    -0.0000
 86   0     0.9144     1.0000     0.0856     0.9763     0.9763     0.0000
 87   0     0.9067     1.0000     0.0933     0.9729     0.9729     0.0000
 88   0     0.9151     1.0000     0.0849     0.9756     0.9756     0.0000
 89   0     0.9164     1.0000     0.0836     0.9891     0.9891     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                0.975276
                0             6               4            6                0.978571
                0             6               5            1                0.989968
                0             6               6            1                0.998376
                1             6               2            6                0.961791
                1             6               7            1                0.994566
                1             6               8            1                0.995121
                2             6               3            6                0.960908
                2             6               9            1                0.997992
                2             6              10            1                0.980665
                3             6               4            6                0.977047
                3             6              11            1                0.998171
                3             6              12            1                0.987471
                4             6              13            1                0.990845
                4             6              14            1                0.993052
               15             6              16            6                0.969606
               15             6              19            6                0.979291
               15             6              20            1                0.989830
               15             6              21            1                0.999303
               16             6              17            6                0.953695
               16             6              22            1                0.998930
               16             6              23            1                0.994004
               17             6              18            6                0.998052
               17             6              24            1                0.996303
               17             6              25            1                0.992162
               18             6              19            6                0.966776
               18             6              26            1                0.985616
               18             6              27            1                0.999273
               19             6              28            1                0.992917
               19             6              29            1                0.991903
               30             6              31            6                0.973889
               30             6              34            6                0.969259
               30             6              35            1                0.994823
               30             6              36            1                0.990624
               31             6              32            6                0.961736
               31             6              37            1                0.984952
               31             6              38            1                0.997906
               32             6              33            6                0.962973
               32             6              39            1                0.997705
               32             6              40            1                0.988549
               33             6              34            6                0.962482
               33             6              41            1                1.000634
               33             6              42            1                0.991909
               34             6              43            1                0.997055
               34             6              44            1                0.985650
               45             6              46            6                0.973791
               45             6              49            6                0.973896
               45             6              50            1                0.989269
               45             6              51            1                0.993949
               46             6              47            6                0.969486
               46             6              52            1                0.995470
               46             6              53            1                0.985195
               47             6              48            6                0.962778
               47             6              54            1                0.988845
               47             6              55            1                0.993734
               48             6              49            6                0.958811
               48             6              56            1                0.995346
               48             6              57            1                0.989189
               49             6              58            1                0.992555
               49             6              59            1                0.993474
               60             6              61            6                0.976698
               60             6              64            6                0.973487
               60             6              65            1                0.999334
               60             6              66            1                0.982480
               61             6              62            6                0.968822
               61             6              67            1                0.987472
               61             6              68            1                0.992942
               62             6              63            6                0.964143
               62             6              69            1                0.996045
               62             6              70            1                0.987730
               63             6              64            6                0.971167
               63             6              71            1                0.997946
               63             6              72            1                0.991454
               64             6              73            1                0.993950
               64             6              74            1                0.988952
               75             6              76            6                0.960785
               75             6              79            6                0.961855
               75             6              80            1                0.995758
               75             6              81            1                0.993722
               76             6              77            6                0.971656
               76             6              82            1                0.997438
               76             6              83            1                0.993624
               77             6              78            6                0.964803
               77             6              84            1                0.988179
               77             6              85            1                0.994443
               78             6              79            6                0.976434
               78             6              86            1                0.992608
               78             6              87            1                0.993660
               79             6              88            1                0.985717
               79             6              89            1                0.996102
# -----------------------------------------------------------
$ 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     6.1517     6.0000    -0.1517     4.0159     3.7025     0.3134
  1   0     6.1867     6.0000    -0.1867     4.0159     3.6942     0.3217
  2   0     6.1237     6.0000    -0.1237     3.9497     3.6167     0.3330
  3   0     6.2337     6.0000    -0.2337     4.0266     3.6970     0.3296
  4   0     6.1218     6.0000    -0.1218     4.0211     3.7098     0.3113
  5   0     0.9142     1.0000     0.0858     0.9878     0.9359     0.0519
  6   0     0.9358     1.0000     0.0642     0.9934     0.9402     0.0532
  7   0     0.9142     1.0000     0.0858     0.9832     0.9318     0.0514
  8   0     0.9171     1.0000     0.0829     0.9830     0.9301     0.0529
  9   0     0.9664     1.0000     0.0336     1.0311     0.9735     0.0576
 10   0     0.9043     1.0000     0.0957     0.9820     0.9284     0.0536
 11   0     0.9051     1.0000     0.0949     0.9818     0.9303     0.0515
 12   0     0.9063     1.0000     0.0937     0.9818     0.9280     0.0538
 13   0     0.9123     1.0000     0.0877     0.9895     0.9398     0.0497
 14   0     0.9155     1.0000     0.0845     0.9889     0.9384     0.0505
 15   0     6.2257     6.0000    -0.2257     4.0489     3.7218     0.3271
 16   0     6.1091     6.0000    -0.1091     3.9441     3.6221     0.3220
 17   0     6.2163     6.0000    -0.2163     4.0523     3.7268     0.3255
 18   0     6.1247     6.0000    -0.1247     4.0259     3.7021     0.3238
 19   0     6.1967     6.0000    -0.1967     3.9938     3.6605     0.3333
 20   0     0.9012     1.0000     0.0988     0.9811     0.9287     0.0524
 21   0     0.9128     1.0000     0.0872     0.9876     0.9351     0.0525
 22   0     0.9160     1.0000     0.0840     0.9846     0.9320     0.0526
 23   0     0.9221     1.0000     0.0779     0.9962     0.9454     0.0508
 24   0     0.9070     1.0000     0.0930     0.9873     0.9372     0.0501
 25   0     0.9126     1.0000     0.0874     0.9761     0.9201     0.0560
 26   0     0.8988     1.0000     0.1012     0.9855     0.9343     0.0512
 27   0     0.9118     1.0000     0.0882     0.9859     0.9338     0.0521
 28   0     0.9029     1.0000     0.0971     0.9769     0.9279     0.0490
 29   0     0.9347     1.0000     0.0653     0.9817     0.9283     0.0534
 30   0     6.1835     6.0000    -0.1835     4.0124     3.6862     0.3262
 31   0     6.1847     6.0000    -0.1847     4.0072     3.6808     0.3264
 32   0     6.1854     6.0000    -0.1854     3.9795     3.6514     0.3281
 33   0     6.1498     6.0000    -0.1498     4.0007     3.6793     0.3214
 34   0     6.1528     6.0000    -0.1528     3.9894     3.6661     0.3233
 35   0     0.9107     1.0000     0.0893     0.9849     0.9330     0.0519
 36   0     0.9067     1.0000     0.0933     0.9834     0.9300     0.0534
 37   0     0.9002     1.0000     0.0998     0.9813     0.9303     0.0510
 38   0     0.9153     1.0000     0.0847     0.9903     0.9390     0.0513
 39   0     0.9436     1.0000     0.0564     0.9904     0.9316     0.0588
 40   0     0.8996     1.0000     0.1004     0.9785     0.9269     0.0516
 41   0     0.9253     1.0000     0.0747     0.9961     0.9417     0.0544
 42   0     0.9200     1.0000     0.0800     0.9903     0.9372     0.0531
 43   0     0.9196     1.0000     0.0804     0.9899     0.9368     0.0531
 44   0     0.9049     1.0000     0.0951     0.9826     0.9287     0.0539
 45   0     6.1809     6.0000    -0.1809     4.0171     3.6974     0.3197
 46   0     6.1381     6.0000    -0.1381     3.9979     3.6812     0.3167
 47   0     6.1960     6.0000    -0.1960     3.9925     3.6633     0.3292
 48   0     6.2082     6.0000    -0.2082     3.9949     3.6649     0.3300
 49   0     6.1646     6.0000    -0.1646     3.9886     3.6693     0.3193
 50   0     0.9081     1.0000     0.0919     0.9852     0.9349     0.0503
 51   0     0.9177     1.0000     0.0823     0.9846     0.9315     0.0531
 52   0     0.9200     1.0000     0.0800     0.9902     0.9400     0.0502
 53   0     0.9024     1.0000     0.0976     0.9872     0.9369     0.0503
 54   0     0.9116     1.0000     0.0884     0.9809     0.9250     0.0559
 55   0     0.9125     1.0000     0.0875     0.9850     0.9322     0.0528
 56   0     0.9075     1.0000     0.0925     0.9820     0.9298     0.0522
 57   0     0.9068     1.0000     0.0932     0.9802     0.9256     0.0546
 58   0     0.9085     1.0000     0.0915     0.9809     0.9278     0.0531
 59   0     0.9169     1.0000     0.0831     0.9879     0.9367     0.0512
 60   0     6.1600     6.0000    -0.1600     4.0093     3.6899     0.3194
 61   0     6.1506     6.0000    -0.1506     4.0052     3.6838     0.3214
 62   0     6.1946     6.0000    -0.1946     4.0031     3.6823     0.3208
 63   0     6.1852     6.0000    -0.1852     3.9962     3.6730     0.3232
 64   0     6.1615     6.0000    -0.1615     4.0065     3.6903     0.3162
 65   0     0.9248     1.0000     0.0752     0.9860     0.9348     0.0512
 66   0     0.9006     1.0000     0.0994     0.9806     0.9275     0.0531
 67   0     0.9121     1.0000     0.0879     0.9821     0.9287     0.0534
 68   0     0.9259     1.0000     0.0741     0.9879     0.9355     0.0524
 69   0     0.9179     1.0000     0.0821     0.9851     0.9332     0.0519
 70   0     0.9065     1.0000     0.0935     0.9823     0.9314     0.0509
 71   0     0.9154     1.0000     0.0846     0.9809     0.9270     0.0539
 72   0     0.9086     1.0000     0.0914     0.9859     0.9333     0.0526
 73   0     0.9199     1.0000     0.0801     0.9885     0.9371     0.0514
 74   0     0.9139     1.0000     0.0861     0.9835     0.9324     0.0511
 75   0     6.1847     6.0000    -0.1847     3.9765     3.6572     0.3193
 76   0     6.1875     6.0000    -0.1875     4.0069     3.6845     0.3224
 77   0     6.1618     6.0000    -0.1618     3.9855     3.6668     0.3187
 78   0     6.1932     6.0000    -0.1932     4.0167     3.6885     0.3282
 79   0     6.1405     6.0000    -0.1405     3.9995     3.6846     0.3149
 80   0     0.9174     1.0000     0.0826     0.9843     0.9309     0.0534
 81   0     0.9246     1.0000     0.0754     0.9837     0.9295     0.0542
 82   0     0.9137     1.0000     0.0863     0.9827     0.9298     0.0529
 83   0     0.9122     1.0000     0.0878     0.9829     0.9276     0.0553
 84   0     0.9100     1.0000     0.0900     0.9816     0.9282     0.0534
 85   0     0.9170     1.0000     0.0830     0.9861     0.9339     0.0522
 86   0     0.9107     1.0000     0.0893     0.9857     0.9312     0.0545
 87   0     0.9029     1.0000     0.0971     0.9821     0.9301     0.0520
 88   0     0.9113     1.0000     0.0887     0.9850     0.9328     0.0522
 89   0     0.9125     1.0000     0.0875     0.9980     0.9492     0.0488
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.915902
                0             6               4            6                0.917232
                0             6               5            1                0.949040
                0             6               6            1                0.956519
                1             6               2            6                0.895263
                1             6               7            1                0.953655
                1             6               8            1                0.953296
                2             6               3            6                0.896104
                2             6               9            1                0.952991
                2             6              10            1                0.937551
                3             6               4            6                0.914756
                3             6              11            1                0.956878
                3             6              12            1                0.944271
                4             6              13            1                0.951515
                4             6              14            1                0.953509
               15             6              16            6                0.907047
               15             6              19            6                0.912886
               15             6              20            1                0.947733
               15             6              21            1                0.957290
               16             6              17            6                0.894836
               16             6              22            1                0.955457
               16             6              23            1                0.953348
               17             6              18            6                0.931189
               17             6              24            1                0.956384
               17             6              25            1                0.946752
               18             6              19            6                0.903224
               18             6              26            1                0.944689
               18             6              27            1                0.957284
               19             6              28            1                0.953410
               19             6              29            1                0.949343
               30             6              31            6                0.907175
               30             6              34            6                0.906941
               30             6              35            1                0.953600
               30             6              36            1                0.947708
               31             6              32            6                0.897229
               31             6              37            1                0.944693
               31             6              38            1                0.957246
               32             6              33            6                0.901588
               32             6              39            1                0.951280
               32             6              40            1                0.946953
               33             6              34            6                0.898943
               33             6              41            1                0.957576
               33             6              42            1                0.949715
               34             6              43            1                0.954573
               34             6              44            1                0.942542
               45             6              46            6                0.909040
               45             6              49            6                0.913272
               45             6              50            1                0.949861
               45             6              51            1                0.951668
               46             6              47            6                0.906105
               46             6              52            1                0.956138
               46             6              53            1                0.945411
               47             6              48            6                0.899714
               47             6              54            1                0.944043
               47             6              55            1                0.951761
               48             6              49            6                0.894290
               48             6              56            1                0.953589
               48             6              57            1                0.945522
               49             6              58            1                0.950082
               49             6              59            1                0.953141
               60             6              61            6                0.913961
               60             6              64            6                0.911255
               60             6              65            1                0.958758
               60             6              66            1                0.939956
               61             6              62            6                0.904714
               61             6              67            1                0.944779
               61             6              68            1                0.952206
               62             6              63            6                0.902634
               62             6              69            1                0.954886
               62             6              70            1                0.947716
               63             6              64            6                0.908133
               63             6              71            1                0.954750
               63             6              72            1                0.949612
               64             6              73            1                0.953466
               64             6              74            1                0.948792
               75             6              76            6                0.899629
               75             6              79            6                0.902067
               75             6              80            1                0.953171
               75             6              81            1                0.950672
               76             6              77            6                0.910754
               76             6              82            1                0.955107
               76             6              83            1                0.949092
               77             6              78            6                0.901865
               77             6              84            1                0.945530
               77             6              85            1                0.952917
               78             6              79            6                0.911504
               78             6              86            1                0.948903
               78             6              87            1                0.951993
               79             6              88            1                0.944133
               79             6              89            1                0.957481
# -----------------------------------------------------------
$ 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     6.2068     6.0000    -0.2068     3.9981     3.6889     0.3092
  1   0     6.2311     6.0000    -0.2311     3.9891     3.6716     0.3175
  2   0     6.1891     6.0000    -0.1891     3.9521     3.6236     0.3285
  3   0     6.2770     6.0000    -0.2770     4.0165     3.6916     0.3249
  4   0     6.1766     6.0000    -0.1766     4.0051     3.6976     0.3075
  5   0     0.8891     1.0000     0.1109     0.9779     0.9271     0.0508
  6   0     0.9050     1.0000     0.0950     0.9866     0.9347     0.0519
  7   0     0.8882     1.0000     0.1118     0.9754     0.9251     0.0503
  8   0     0.8937     1.0000     0.1063     0.9750     0.9231     0.0519
  9   0     0.9236     1.0000     0.0764     1.0146     0.9587     0.0559
 10   0     0.8833     1.0000     0.1167     0.9754     0.9230     0.0524
 11   0     0.8795     1.0000     0.1205     0.9753     0.9250     0.0503
 12   0     0.8823     1.0000     0.1177     0.9730     0.9203     0.0527
 13   0     0.8887     1.0000     0.1113     0.9824     0.9338     0.0486
 14   0     0.8929     1.0000     0.1071     0.9808     0.9313     0.0495
 15   0     6.2571     6.0000    -0.2571     4.0075     3.6849     0.3226
 16   0     6.1917     6.0000    -0.1917     3.9498     3.6320     0.3178
 17   0     6.2558     6.0000    -0.2558     4.0284     3.7077     0.3207
 18   0     6.1753     6.0000    -0.1753     4.0108     3.6909     0.3199
 19   0     6.2609     6.0000    -0.2609     3.9964     3.6675     0.3289
 20   0     0.8789     1.0000     0.1211     0.9733     0.9219     0.0514
 21   0     0.8847     1.0000     0.1153     0.9804     0.9293     0.0511
 22   0     0.8783     1.0000     0.1217     0.9774     0.9265     0.0509
 23   0     0.8943     1.0000     0.1057     0.9856     0.9362     0.0494
 24   0     0.8790     1.0000     0.1210     0.9791     0.9303     0.0488
 25   0     0.8898     1.0000     0.1102     0.9693     0.9143     0.0550
 26   0     0.8781     1.0000     0.1219     0.9788     0.9286     0.0502
 27   0     0.8890     1.0000     0.1110     0.9773     0.9262     0.0511
 28   0     0.8760     1.0000     0.1240     0.9712     0.9234     0.0478
 29   0     0.9080     1.0000     0.0920     0.9787     0.9268     0.0519
 30   0     6.2305     6.0000    -0.2305     3.9951     3.6730     0.3221
 31   0     6.2314     6.0000    -0.2314     3.9919     3.6695     0.3224
 32   0     6.2351     6.0000    -0.2351     3.9697     3.6462     0.3235
 33   0     6.2042     6.0000    -0.2042     3.9837     3.6665     0.3172
 34   0     6.2056     6.0000    -0.2056     3.9774     3.6583     0.3191
 35   0     0.8874     1.0000     0.1126     0.9765     0.9256     0.0509
 36   0     0.8838     1.0000     0.1162     0.9761     0.9237     0.0524
 37   0     0.8786     1.0000     0.1214     0.9760     0.9260     0.0500
 38   0     0.8894     1.0000     0.1106     0.9800     0.9298     0.0502
 39   0     0.9131     1.0000     0.0869     0.9843     0.9270     0.0573
 40   0     0.8772     1.0000     0.1228     0.9714     0.9208     0.0506
 41   0     0.8946     1.0000     0.1054     0.9905     0.9375     0.0530
 42   0     0.8946     1.0000     0.1054     0.9798     0.9278     0.0520
 43   0     0.8919     1.0000     0.1081     0.9804     0.9285     0.0519
 44   0     0.8829     1.0000     0.1171     0.9750     0.9221     0.0529
 45   0     6.2316     6.0000    -0.2316     4.0017     3.6860     0.3157
 46   0     6.1932     6.0000    -0.1932     3.9869     3.6739     0.3130
 47   0     6.2409     6.0000    -0.2409     3.9838     3.6590     0.3248
 48   0     6.2486     6.0000    -0.2486     3.9825     3.6568     0.3257
 49   0     6.2158     6.0000    -0.2158     3.9797     3.6644     0.3153
 50   0     0.8843     1.0000     0.1157     0.9793     0.9300     0.0493
 51   0     0.8909     1.0000     0.1091     0.9749     0.9229     0.0520
 52   0     0.8953     1.0000     0.1047     0.9807     0.9314     0.0493
 53   0     0.8807     1.0000     0.1193     0.9806     0.9312     0.0494
 54   0     0.8874     1.0000     0.1126     0.9721     0.9173     0.0548
 55   0     0.8867     1.0000     0.1133     0.9764     0.9248     0.0516
 56   0     0.8846     1.0000     0.1154     0.9726     0.9214     0.0512
 57   0     0.8840     1.0000     0.1160     0.9728     0.9192     0.0536
 58   0     0.8849     1.0000     0.1151     0.9731     0.9210     0.0521
 59   0     0.8906     1.0000     0.1094     0.9781     0.9280     0.0501
 60   0     6.2098     6.0000    -0.2098     3.9904     3.6751     0.3153
 61   0     6.2044     6.0000    -0.2044     3.9938     3.6765     0.3173
 62   0     6.2451     6.0000    -0.2451     3.9904     3.6736     0.3168
 63   0     6.2313     6.0000    -0.2313     3.9787     3.6596     0.3191
 64   0     6.2144     6.0000    -0.2144     3.9871     3.6748     0.3123
 65   0     0.8969     1.0000     0.1031     0.9791     0.9291     0.0500
 66   0     0.8799     1.0000     0.1201     0.9743     0.9221     0.0522
 67   0     0.8910     1.0000     0.1090     0.9747     0.9223     0.0524
 68   0     0.8955     1.0000     0.1045     0.9846     0.9335     0.0511
 69   0     0.8896     1.0000     0.1104     0.9735     0.9228     0.0507
 70   0     0.8815     1.0000     0.1185     0.9750     0.9252     0.0498
 71   0     0.8901     1.0000     0.1099     0.9717     0.9188     0.0529
 72   0     0.8836     1.0000     0.1164     0.9771     0.9256     0.0515
 73   0     0.8940     1.0000     0.1060     0.9790     0.9287     0.0503
 74   0     0.8893     1.0000     0.1107     0.9771     0.9271     0.0500
 75   0     6.2388     6.0000    -0.2388     3.9679     3.6530     0.3149
 76   0     6.2326     6.0000    -0.2326     3.9834     3.6653     0.3181
 77   0     6.2139     6.0000    -0.2139     3.9802     3.6657     0.3145
 78   0     6.2366     6.0000    -0.2366     3.9985     3.6744     0.3241
 79   0     6.1954     6.0000    -0.1954     3.9922     3.6814     0.3108
 80   0     0.8893     1.0000     0.1107     0.9754     0.9232     0.0522
 81   0     0.8963     1.0000     0.1037     0.9747     0.9217     0.0530
 82   0     0.8886     1.0000     0.1114     0.9735     0.9217     0.0518
 83   0     0.8870     1.0000     0.1130     0.9748     0.9206     0.0542
 84   0     0.8870     1.0000     0.1130     0.9737     0.9212     0.0525
 85   0     0.8917     1.0000     0.1083     0.9771     0.9260     0.0511
 86   0     0.8870     1.0000     0.1130     0.9768     0.9233     0.0535
 87   0     0.8809     1.0000     0.1191     0.9749     0.9239     0.0510
 88   0     0.8888     1.0000     0.1112     0.9776     0.9263     0.0513
 89   0     0.8862     1.0000     0.1138     0.9906     0.9429     0.0477
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.927711
                0             6               4            6                0.925242
                0             6               5            1                0.932329
                0             6               6            1                0.943356
                1             6               2            6                0.902024
                1             6               7            1                0.940249
                1             6               8            1                0.935562
                2             6               3            6                0.907395
                2             6               9            1                0.939986
                2             6              10            1                0.925353
                3             6               4            6                0.926455
                3             6              11            1                0.944726
                3             6              12            1                0.928929
                4             6              13            1                0.939131
                4             6              14            1                0.937750
               15             6              16            6                0.915747
               15             6              19            6                0.915803
               15             6              20            1                0.931962
               15             6              21            1                0.942554
               16             6              17            6                0.909046
               16             6              22            1                0.941975
               16             6              23            1                0.936916
               17             6              18            6                0.935045
               17             6              24            1                0.943704
               17             6              25            1                0.931213
               18             6              19            6                0.916963
               18             6              26            1                0.931375
               18             6              27            1                0.941582
               19             6              28            1                0.943196
               19             6              29            1                0.932104
               30             6              31            6                0.911700
               30             6              34            6                0.918240
               30             6              35            1                0.940049
               30             6              36            1                0.934216
               31             6              32            6                0.905960
               31             6              37            1                0.934233
               31             6              38            1                0.945098
               32             6              33            6                0.912556
               32             6              39            1                0.936890
               32             6              40            1                0.934653
               33             6              34            6                0.908426
               33             6              41            1                0.943981
               33             6              42            1                0.933110
               34             6              43            1                0.942874
               34             6              44            1                0.927392
               45             6              46            6                0.913232
               45             6              49            6                0.925973
               45             6              50            1                0.939598
               45             6              51            1                0.938540
               46             6              47            6                0.917134
               46             6              52            1                0.944855
               46             6              53            1                0.934728
               47             6              48            6                0.914216
               47             6              54            1                0.928164
               47             6              55            1                0.939359
               48             6              49            6                0.902362
               48             6              56            1                0.940350
               48             6              57            1                0.930651
               49             6              58            1                0.937804
               49             6              59            1                0.940754
               60             6              61            6                0.922406
               60             6              64            6                0.915784
               60             6              65            1                0.949250
               60             6              66            1                0.926445
               61             6              62            6                0.913116
               61             6              67            1                0.930577
               61             6              68            1                0.942194
               62             6              63            6                0.912875
               62             6              69            1                0.941418
               62             6              70            1                0.935527
               63             6              64            6                0.916301
               63             6              71            1                0.940586
               63             6              72            1                0.935536
               64             6              73            1                0.940858
               64             6              74            1                0.938127
               75             6              76            6                0.910056
               75             6              79            6                0.912692
               75             6              80            1                0.940473
               75             6              81            1                0.936842
               76             6              77            6                0.920674
               76             6              82            1                0.940074
               76             6              83            1                0.932771
               77             6              78            6                0.914115
               77             6              84            1                0.931389
               77             6              85            1                0.940334
               78             6              79            6                0.918477
               78             6              86            1                0.933969
               78             6              87            1                0.939385
               79             6              88            1                0.932097
               79             6              89            1                0.948038
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2308388440
        Correlation Energy:       -5.0621365142
        Total MP2 Energy:      -1176.2929753582
# -----------------------------------------------------------
$ 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) :        0.3699987534
        Electronic Contribution:
                  0    
      0      -0.347768
      1      -0.629405
      2       0.236216
        Nuclear Contribution:
                  0    
      0       0.377569
      1       0.546271
      2      -0.120501
        Total Dipole moment:
                  0    
      0       0.029801
      1      -0.083134
      2       0.115715
# -----------------------------------------------------------
$ 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) :        0.3696123391
        Electronic Contribution:
                  0    
      0      -0.347536
      1      -0.628756
      2       0.236429
        Nuclear Contribution:
                  0    
      0       0.377569
      1       0.546271
      2      -0.120501
        Total Dipole moment:
                  0    
      0       0.030033
      1      -0.082485
      2       0.115928
# -----------------------------------------------------------
$ 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) :        0.2967646107
        Electronic Contribution:
                  0    
      0      -0.340534
      1      -0.597156
      2       0.218840
        Nuclear Contribution:
                  0    
      0       0.377569
      1       0.546271
      2      -0.120501
        Total Dipole moment:
                  0    
      0       0.037035
      1      -0.050885
      2       0.098339
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     19.070000000000   17.260000000000   19.570000000000
               1 C     18.100000000000   17.900000000000   18.650000000000
               2 C     18.870000000000   18.210000000000   17.300000000000
               3 C     20.160000000000   17.340000000000   17.420000000000
               4 C     20.160000000000   16.590000000000   18.770000000000
               5 H     18.500000000000   16.610000000000   20.240000000000
               6 H     19.480000000000   18.050000000000   20.200000000000
               7 H     17.700000000000   18.820000000000   19.050000000000
               8 H     17.220000000000   17.270000000000   18.410000000000
               9 H     19.200000000000   19.280000000000   17.290000000000
              10 H     18.190000000000   17.950000000000   16.440000000000
              11 H     21.030000000000   17.970000000000   17.370000000000
              12 H     20.220000000000   16.640000000000   16.540000000000
              13 H     21.070000000000   16.700000000000   19.320000000000
              14 H     19.860000000000   15.560000000000   18.690000000000
              15 C     21.240000000000   21.140000000000   16.140000000000
              16 C     20.450000000000   20.250000000000   15.170000000000
              17 C     19.160000000000   20.910000000000   14.850000000000
              18 C     18.880000000000   22.020000000000   15.940000000000
              19 C     20.140000000000   22.020000000000   16.870000000000
              20 H     22.040000000000   21.720000000000   15.630000000000
              21 H     21.760000000000   20.590000000000   16.910000000000
              22 H     20.390000000000   19.220000000000   15.570000000000
              23 H     21.070000000000   20.140000000000   14.300000000000
              24 H     18.390000000000   20.190000000000   14.770000000000
              25 H     19.210000000000   21.440000000000   13.820000000000
              26 H     17.900000000000   21.870000000000   16.410000000000
              27 H     18.860000000000   22.960000000000   15.380000000000
              28 H     19.980000000000   21.730000000000   17.850000000000
              29 H     20.510000000000   23.020000000000   17.100000000000
              30 C     21.680000000000   21.960000000000   22.330000000000
              31 C     21.320000000000   20.570000000000   21.600000000000
              32 C     21.960000000000   20.650000000000   20.160000000000
              33 C     22.450000000000   22.060000000000   19.920000000000
              34 C     22.270000000000   22.870000000000   21.250000000000
              35 H     22.400000000000   21.750000000000   23.130000000000
              36 H     20.830000000000   22.530000000000   22.790000000000
              37 H     20.270000000000   20.310000000000   21.570000000000
              38 H     21.810000000000   19.820000000000   22.190000000000
              39 H     21.130000000000   20.430000000000   19.410000000000
              40 H     22.720000000000   19.870000000000   19.990000000000
              41 H     21.980000000000   22.490000000000   19.020000000000
              42 H     23.510000000000   21.960000000000   19.650000000000
              43 H     21.530000000000   23.650000000000   21.030000000000
              44 H     23.210000000000   23.390000000000   21.620000000000
              45 C     23.140000000000   16.700000000000   11.710000000000
              46 C     24.160000000000   16.900000000000   12.900000000000
              47 C     24.200000000000   18.440000000000   13.090000000000
              48 C     23.620000000000   19.150000000000   11.820000000000
              49 C     23.000000000000   18.000000000000   10.940000000000
              50 H     22.220000000000   16.300000000000   12.070000000000
              51 H     23.530000000000   15.950000000000   11.000000000000
              52 H     25.110000000000   16.620000000000   12.530000000000
              53 H     23.900000000000   16.390000000000   13.830000000000
              54 H     25.240000000000   18.860000000000   13.350000000000
              55 H     23.660000000000   18.670000000000   14.010000000000
              56 H     24.340000000000   19.670000000000   11.180000000000
              57 H     22.940000000000   20.020000000000   12.060000000000
              58 H     23.480000000000   18.050000000000    9.930000000000
              59 H     21.970000000000   18.200000000000   10.750000000000
              60 C     20.740000000000   26.340000000000   16.690000000000
              61 C     20.790000000000   25.980000000000   18.180000000000
              62 C     19.400000000000   26.320000000000   18.820000000000
              63 C     18.670000000000   27.180000000000   17.770000000000
              64 C     19.410000000000   27.040000000000   16.410000000000
              65 H     20.660000000000   25.410000000000   16.200000000000
              66 H     21.640000000000   26.920000000000   16.290000000000
              67 H     21.550000000000   26.630000000000   18.700000000000
              68 H     21.030000000000   24.940000000000   18.270000000000
              69 H     19.590000000000   26.840000000000   19.740000000000
              70 H     18.790000000000   25.540000000000   19.230000000000
              71 H     18.670000000000   28.260000000000   18.030000000000
              72 H     17.580000000000   27.000000000000   17.750000000000
              73 H     19.650000000000   28.000000000000   15.980000000000
              74 H     18.780000000000   26.510000000000   15.710000000000
              75 C     18.030000000000   17.120000000000   12.820000000000
              76 C     17.990000000000   15.920000000000   11.870000000000
              77 C     17.170000000000   16.280000000000   10.650000000000
              78 C     16.740000000000   17.750000000000   10.870000000000
              79 C     17.070000000000   18.160000000000   12.380000000000
              80 H     19.050000000000   17.530000000000   12.930000000000
              81 H     17.830000000000   16.770000000000   13.850000000000
              82 H     17.560000000000   15.030000000000   12.350000000000
              83 H     19.020000000000   15.510000000000   11.590000000000
              84 H     16.270000000000   15.630000000000   10.460000000000
              85 H     17.800000000000   16.180000000000    9.760000000000
              86 H     15.640000000000   17.910000000000   10.640000000000
              87 H     17.260000000000   18.330000000000   10.100000000000
              88 H     16.210000000000   18.100000000000   13.080000000000
              89 H     17.610000000000   19.040000000000   12.510000000000
