-------------------------------------------------------------
----------------------- !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:    -1171.1770872683
# -----------------------------------------------------------
$ 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     6.1881     6.0000    -0.1881     3.8922     3.8922     0.0000
  1   0     6.1439     6.0000    -0.1439     3.9290     3.9290     0.0000
  2   0     6.1253     6.0000    -0.1253     3.8864     3.8864     0.0000
  3   0     6.2243     6.0000    -0.2243     3.8813     3.8813     0.0000
  4   0     6.1027     6.0000    -0.1027     3.8560     3.8560     0.0000
  5   0     0.9175     1.0000     0.0825     0.9749     0.9749     0.0000
  6   0     0.9243     1.0000     0.0757     0.9748     0.9748     0.0000
  7   0     0.9170     1.0000     0.0830     0.9812     0.9812    -0.0000
  8   0     0.9179     1.0000     0.0821     0.9828     0.9828     0.0000
  9   0     0.9165     1.0000     0.0835     0.9774     0.9774    -0.0000
 10   0     0.9194     1.0000     0.0806     0.9813     0.9813     0.0000
 11   0     0.9160     1.0000     0.0840     0.9732     0.9732     0.0000
 12   0     0.9307     1.0000     0.0693     0.9820     0.9820     0.0000
 13   0     0.9137     1.0000     0.0863     0.9774     0.9774    -0.0000
 14   0     0.9447     1.0000     0.0553     0.9866     0.9866     0.0000
 15   0     6.1835     6.0000    -0.1835     3.8957     3.8957     0.0000
 16   0     6.1130     6.0000    -0.1130     3.8970     3.8970     0.0000
 17   0     6.1886     6.0000    -0.1886     3.8909     3.8909     0.0000
 18   0     6.1842     6.0000    -0.1842     3.8988     3.8988     0.0000
 19   0     6.1268     6.0000    -0.1268     3.8902     3.8902     0.0000
 20   0     0.9316     1.0000     0.0684     0.9801     0.9801     0.0000
 21   0     0.9079     1.0000     0.0921     0.9739     0.9739     0.0000
 22   0     0.9215     1.0000     0.0785     0.9777     0.9777     0.0000
 23   0     0.9077     1.0000     0.0923     0.9751     0.9751     0.0000
 24   0     0.9264     1.0000     0.0736     0.9736     0.9736     0.0000
 25   0     0.9296     1.0000     0.0704     0.9801     0.9801    -0.0000
 26   0     0.9077     1.0000     0.0923     0.9739     0.9739     0.0000
 27   0     0.9274     1.0000     0.0726     0.9803     0.9803     0.0000
 28   0     0.9227     1.0000     0.0773     0.9853     0.9853     0.0000
 29   0     0.9181     1.0000     0.0819     0.9793     0.9793    -0.0000
 30   0     6.1821     6.0000    -0.1821     3.9201     3.9201    -0.0000
 31   0     6.1173     6.0000    -0.1173     3.9257     3.9257    -0.0000
 32   0     6.1621     6.0000    -0.1621     3.8962     3.8962    -0.0000
 33   0     6.2365     6.0000    -0.2365     3.8535     3.8535    -0.0000
 34   0     6.1302     6.0000    -0.1302     3.8809     3.8809    -0.0000
 35   0     0.9251     1.0000     0.0749     0.9824     0.9824    -0.0000
 36   0     0.8961     1.0000     0.1039     0.9707     0.9707    -0.0000
 37   0     0.9345     1.0000     0.0655     0.9850     0.9850    -0.0000
 38   0     0.8981     1.0000     0.1019     0.9697     0.9697    -0.0000
 39   0     0.9150     1.0000     0.0850     0.9712     0.9712    -0.0000
 40   0     0.9272     1.0000     0.0728     0.9810     0.9810    -0.0000
 41   0     0.9272     1.0000     0.0728     0.9764     0.9764    -0.0000
 42   0     0.9150     1.0000     0.0850     0.9662     0.9662    -0.0000
 43   0     0.9291     1.0000     0.0709     0.9851     0.9851     0.0000
 44   0     0.9043     1.0000     0.0957     0.9734     0.9734    -0.0000
 45   0     6.1942     6.0000    -0.1942     3.8924     3.8924    -0.0000
 46   0     6.1313     6.0000    -0.1313     3.9078     3.9078    -0.0000
 47   0     6.1740     6.0000    -0.1740     3.8801     3.8801     0.0000
 48   0     6.1598     6.0000    -0.1598     3.9096     3.9096     0.0000
 49   0     6.1504     6.0000    -0.1504     3.8701     3.8701    -0.0000
 50   0     0.9223     1.0000     0.0777     0.9774     0.9774     0.0000
 51   0     0.9181     1.0000     0.0819     0.9726     0.9726    -0.0000
 52   0     0.9197     1.0000     0.0803     0.9751     0.9751    -0.0000
 53   0     0.9173     1.0000     0.0827     0.9757     0.9757    -0.0000
 54   0     0.9281     1.0000     0.0719     0.9689     0.9689     0.0000
 55   0     0.9179     1.0000     0.0821     0.9725     0.9725     0.0000
 56   0     0.9141     1.0000     0.0859     0.9746     0.9746    -0.0000
 57   0     0.9102     1.0000     0.0898     0.9763     0.9763    -0.0000
 58   0     0.9306     1.0000     0.0694     0.9816     0.9816    -0.0000
 59   0     0.9126     1.0000     0.0874     0.9804     0.9804    -0.0000
 60   0     6.1788     6.0000    -0.1788     3.8792     3.8792    -0.0000
 61   0     6.1238     6.0000    -0.1238     3.9123     3.9123    -0.0000
 62   0     6.1844     6.0000    -0.1844     3.8871     3.8871     0.0000
 63   0     6.1685     6.0000    -0.1685     3.9050     3.9050     0.0000
 64   0     6.2045     6.0000    -0.2045     3.8593     3.8593     0.0000
 65   0     0.9147     1.0000     0.0853     0.9789     0.9789    -0.0000
 66   0     0.9107     1.0000     0.0893     0.9728     0.9728    -0.0000
 67   0     0.9188     1.0000     0.0812     0.9749     0.9749    -0.0000
 68   0     0.9148     1.0000     0.0852     0.9826     0.9826    -0.0000
 69   0     0.9230     1.0000     0.0770     0.9747     0.9747     0.0000
 70   0     0.9179     1.0000     0.0821     0.9729     0.9729     0.0000
 71   0     0.9084     1.0000     0.0916     0.9733     0.9733     0.0000
 72   0     0.9143     1.0000     0.0857     0.9781     0.9781     0.0000
 73   0     0.9223     1.0000     0.0777     0.9788     0.9788     0.0000
 74   0     0.8948     1.0000     0.1052     0.9676     0.9676    -0.0000
 75   0     6.2216     6.0000    -0.2216     3.8730     3.8730    -0.0000
 76   0     6.1133     6.0000    -0.1133     3.8671     3.8671    -0.0000
 77   0     6.1714     6.0000    -0.1714     3.9070     3.9070    -0.0000
 78   0     6.1894     6.0000    -0.1894     3.8813     3.8813    -0.0000
 79   0     6.1518     6.0000    -0.1518     3.8878     3.8878    -0.0000
 80   0     0.9057     1.0000     0.0943     0.9695     0.9695    -0.0000
 81   0     0.9253     1.0000     0.0747     0.9687     0.9687    -0.0000
 82   0     0.9409     1.0000     0.0591     0.9816     0.9816    -0.0000
 83   0     0.9113     1.0000     0.0887     0.9795     0.9795    -0.0000
 84   0     0.9182     1.0000     0.0818     0.9768     0.9768     0.0000
 85   0     0.9059     1.0000     0.0941     0.9746     0.9746    -0.0000
 86   0     0.9136     1.0000     0.0864     0.9725     0.9725    -0.0000
 87   0     0.9127     1.0000     0.0873     0.9725     0.9725    -0.0000
 88   0     0.9033     1.0000     0.0967     0.9728     0.9728    -0.0000
 89   0     0.9170     1.0000     0.0830     0.9774     0.9774    -0.0000
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.968689
                0             6               4            6                0.963115
                0             6               5            1                0.991937
                0             6               6            1                0.994662
                1             6               2            6                0.987655
                1             6               7            1                0.995250
                1             6               8            1                0.994031
                2             6               3            6                0.953667
                2             6               9            1                0.987908
                2             6              10            1                0.983486
                3             6               4            6                0.960929
                3             6              11            1                0.989869
                3             6              12            1                0.998962
                4             6              13            1                0.984076
                4             6              14            1                0.998817
               15             6              16            6                0.965897
               15             6              19            6                0.961473
               15             6              20            1                1.002253
               15             6              21            1                0.992719
               16             6              17            6                0.982447
               16             6              22            1                0.993571
               16             6              23            1                0.988066
               17             6              18            6                0.957065
               17             6              24            1                0.993112
               17             6              25            1                0.990723
               18             6              19            6                0.972552
               18             6              26            1                0.994443
               18             6              27            1                0.999101
               19             6              28            1                0.994730
               19             6              29            1                0.996158
               30             6              31            6                0.978493
               30             6              34            6                0.983831
               30             6              35            1                0.991062
               30             6              36            1                0.984816
               31             6              32            6                0.989602
               31             6              37            1                1.005317
               31             6              38            1                0.988190
               32             6              33            6                0.946014
               32             6              39            1                0.990882
               32             6              40            1                0.997937
               33             6              34            6                0.964766
               33             6              41            1                0.996369
               33             6              42            1                0.990362
               34             6              43            1                0.993174
               34             6              44            1                0.985434
               45             6              46            6                0.979030
               45             6              49            6                0.954560
               45             6              50            1                0.997173
               45             6              51            1                0.992859
               46             6              47            6                0.969358
               46             6              52            1                0.994612
               46             6              53            1                0.990256
               47             6              48            6                0.966898
               47             6              54            1                0.999663
               47             6              55            1                0.993804
               48             6              49            6                0.970790
               48             6              56            1                0.994839
               48             6              57            1                0.991185
               49             6              58            1                0.993029
               49             6              59            1                0.989807
               60             6              61            6                0.984025
               60             6              64            6                0.942199
               60             6              65            1                0.996871
               60             6              66            1                0.996576
               61             6              62            6                0.971357
               61             6              67            1                0.989515
               61             6              68            1                0.991979
               62             6              63            6                0.971779
               62             6              69            1                0.998693
               62             6              70            1                0.997085
               63             6              64            6                0.979735
               63             6              71            1                0.989574
               63             6              72            1                0.992317
               64             6              73            1                0.993891
               64             6              74            1                0.984315
               75             6              76            6                0.945920
               75             6              79            6                0.969084
               75             6              80            1                0.989975
               75             6              81            1                1.000911
               76             6              77            6                0.970439
               76             6              82            1                1.004031
               76             6              83            1                0.989221
               77             6              78            6                0.964322
               77             6              84            1                0.999954
               77             6              85            1                0.984307
               78             6              79            6                0.970309
               78             6              86            1                0.994111
               78             6              87            1                0.989790
               79             6              88            1                0.981727
               79             6              89            1                0.990088
# -----------------------------------------------------------
$ 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     6.1960     6.0000    -0.1960     4.0024     3.6786     0.3238
  1   0     6.1515     6.0000    -0.1515     4.0352     3.7179     0.3173
  2   0     6.1325     6.0000    -0.1325     3.9937     3.6734     0.3203
  3   0     6.2319     6.0000    -0.2319     3.9968     3.6606     0.3362
  4   0     6.1105     6.0000    -0.1105     3.9626     3.6419     0.3207
  5   0     0.9136     1.0000     0.0864     0.9842     0.9307     0.0535
  6   0     0.9204     1.0000     0.0796     0.9847     0.9324     0.0523
  7   0     0.9130     1.0000     0.0870     0.9905     0.9408     0.0497
  8   0     0.9142     1.0000     0.0858     0.9925     0.9421     0.0504
  9   0     0.9124     1.0000     0.0876     0.9866     0.9358     0.0508
 10   0     0.9159     1.0000     0.0841     0.9913     0.9378     0.0535
 11   0     0.9121     1.0000     0.0879     0.9829     0.9290     0.0539
 12   0     0.9277     1.0000     0.0723     0.9934     0.9375     0.0559
 13   0     0.9098     1.0000     0.0902     0.9865     0.9357     0.0508
 14   0     0.9409     1.0000     0.0591     0.9972     0.9426     0.0546
 15   0     6.1919     6.0000    -0.1919     4.0080     3.6806     0.3274
 16   0     6.1209     6.0000    -0.1209     4.0026     3.6849     0.3177
 17   0     6.1955     6.0000    -0.1955     4.0017     3.6820     0.3197
 18   0     6.1918     6.0000    -0.1918     4.0090     3.6836     0.3254
 19   0     6.1344     6.0000    -0.1344     3.9973     3.6777     0.3196
 20   0     0.9278     1.0000     0.0722     0.9902     0.9367     0.0535
 21   0     0.9040     1.0000     0.0960     0.9831     0.9314     0.0517
 22   0     0.9175     1.0000     0.0825     0.9872     0.9342     0.0530
 23   0     0.9038     1.0000     0.0962     0.9839     0.9333     0.0506
 24   0     0.9224     1.0000     0.0776     0.9838     0.9301     0.0537
 25   0     0.9263     1.0000     0.0737     0.9910     0.9372     0.0538
 26   0     0.9036     1.0000     0.0964     0.9824     0.9322     0.0502
 27   0     0.9237     1.0000     0.0763     0.9902     0.9350     0.0552
 28   0     0.9189     1.0000     0.0811     0.9948     0.9428     0.0520
 29   0     0.9142     1.0000     0.0858     0.9886     0.9355     0.0531
 30   0     6.1901     6.0000    -0.1901     4.0307     3.7060     0.3247
 31   0     6.1250     6.0000    -0.1250     4.0308     3.7214     0.3094
 32   0     6.1702     6.0000    -0.1702     4.0049     3.6933     0.3116
 33   0     6.2453     6.0000    -0.2453     3.9748     3.6316     0.3432
 34   0     6.1376     6.0000    -0.1376     3.9877     3.6720     0.3157
 35   0     0.9213     1.0000     0.0787     0.9921     0.9385     0.0536
 36   0     0.8923     1.0000     0.1077     0.9791     0.9294     0.0497
 37   0     0.9307     1.0000     0.0693     0.9947     0.9448     0.0499
 38   0     0.8942     1.0000     0.1058     0.9785     0.9309     0.0476
 39   0     0.9107     1.0000     0.0893     0.9801     0.9302     0.0499
 40   0     0.9231     1.0000     0.0769     0.9905     0.9398     0.0507
 41   0     0.9228     1.0000     0.0772     0.9861     0.9312     0.0549
 42   0     0.9107     1.0000     0.0893     0.9757     0.9196     0.0561
 43   0     0.9251     1.0000     0.0749     0.9947     0.9438     0.0509
 44   0     0.9005     1.0000     0.0995     0.9825     0.9334     0.0491
 45   0     6.2022     6.0000    -0.2022     4.0046     3.6779     0.3267
 46   0     6.1387     6.0000    -0.1387     4.0115     3.7015     0.3100
 47   0     6.1816     6.0000    -0.1816     3.9887     3.6738     0.3149
 48   0     6.1681     6.0000    -0.1681     4.0190     3.6950     0.3240
 49   0     6.1567     6.0000    -0.1567     3.9773     3.6597     0.3176
 50   0     0.9186     1.0000     0.0814     0.9872     0.9333     0.0539
 51   0     0.9142     1.0000     0.0858     0.9821     0.9274     0.0547
 52   0     0.9159     1.0000     0.0841     0.9844     0.9322     0.0522
 53   0     0.9135     1.0000     0.0865     0.9849     0.9331     0.0518
 54   0     0.9243     1.0000     0.0757     0.9788     0.9236     0.0552
 55   0     0.9141     1.0000     0.0859     0.9820     0.9305     0.0515
 56   0     0.9103     1.0000     0.0897     0.9838     0.9310     0.0528
 57   0     0.9066     1.0000     0.0934     0.9856     0.9342     0.0514
 58   0     0.9267     1.0000     0.0733     0.9916     0.9390     0.0526
 59   0     0.9087     1.0000     0.0913     0.9896     0.9415     0.0481
 60   0     6.1871     6.0000    -0.1871     3.9944     3.6660     0.3284
 61   0     6.1314     6.0000    -0.1314     4.0175     3.7016     0.3159
 62   0     6.1922     6.0000    -0.1922     3.9982     3.6738     0.3244
 63   0     6.1761     6.0000    -0.1761     4.0153     3.6894     0.3259
 64   0     6.2122     6.0000    -0.2122     3.9757     3.6398     0.3359
 65   0     0.9106     1.0000     0.0894     0.9883     0.9359     0.0524
 66   0     0.9065     1.0000     0.0935     0.9817     0.9286     0.0531
 67   0     0.9150     1.0000     0.0850     0.9844     0.9315     0.0529
 68   0     0.9109     1.0000     0.0891     0.9915     0.9416     0.0499
 69   0     0.9192     1.0000     0.0808     0.9844     0.9302     0.0542
 70   0     0.9141     1.0000     0.0859     0.9824     0.9312     0.0512
 71   0     0.9046     1.0000     0.0954     0.9825     0.9301     0.0524
 72   0     0.9105     1.0000     0.0895     0.9873     0.9340     0.0533
 73   0     0.9187     1.0000     0.0813     0.9892     0.9322     0.0570
 74   0     0.8906     1.0000     0.1094     0.9761     0.9216     0.0545
 75   0     6.2294     6.0000    -0.2294     3.9893     3.6539     0.3354
 76   0     6.1207     6.0000    -0.1207     3.9726     3.6605     0.3121
 77   0     6.1786     6.0000    -0.1786     4.0154     3.6939     0.3215
 78   0     6.1970     6.0000    -0.1970     3.9940     3.6624     0.3316
 79   0     6.1588     6.0000    -0.1588     3.9956     3.6710     0.3246
 80   0     0.9020     1.0000     0.0980     0.9789     0.9263     0.0526
 81   0     0.9216     1.0000     0.0784     0.9789     0.9225     0.0564
 82   0     0.9373     1.0000     0.0627     0.9919     0.9387     0.0532
 83   0     0.9075     1.0000     0.0925     0.9886     0.9397     0.0489
 84   0     0.9146     1.0000     0.0854     0.9863     0.9349     0.0514
 85   0     0.9023     1.0000     0.0977     0.9838     0.9316     0.0522
 86   0     0.9098     1.0000     0.0902     0.9820     0.9282     0.0538
 87   0     0.9091     1.0000     0.0909     0.9822     0.9280     0.0542
 88   0     0.8996     1.0000     0.1004     0.9817     0.9304     0.0513
 89   0     0.9133     1.0000     0.0867     0.9867     0.9337     0.0530
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.903734
                0             6               4            6                0.901881
                0             6               5            1                0.949070
                0             6               6            1                0.953493
                1             6               2            6                0.924053
                1             6               7            1                0.956073
                1             6               8            1                0.954491
                2             6               3            6                0.890362
                2             6               9            1                0.947633
                2             6              10            1                0.941471
                3             6               4            6                0.893706
                3             6              11            1                0.946863
                3             6              12            1                0.955312
                4             6              13            1                0.944022
                4             6              14            1                0.955858
               15             6              16            6                0.898979
               15             6              19            6                0.900102
               15             6              20            1                0.959961
               15             6              21            1                0.951431
               16             6              17            6                0.923348
               16             6              22            1                0.951356
               16             6              23            1                0.947668
               17             6              18            6                0.894501
               17             6              24            1                0.950420
               17             6              25            1                0.949019
               18             6              19            6                0.908334
               18             6              26            1                0.953776
               18             6              27            1                0.954907
               19             6              28            1                0.953566
               19             6              29            1                0.953452
               30             6              31            6                0.911611
               30             6              34            6                0.922645
               30             6              35            1                0.948777
               30             6              36            1                0.945073
               31             6              32            6                0.932695
               31             6              37            1                0.966160
               31             6              38            1                0.950711
               32             6              33            6                0.883652
               32             6              39            1                0.951050
               32             6              40            1                0.957734
               33             6              34            6                0.898501
               33             6              41            1                0.951993
               33             6              42            1                0.944615
               34             6              43            1                0.953457
               34             6              44            1                0.946795
               45             6              46            6                0.916148
               45             6              49            6                0.892842
               45             6              50            1                0.954339
               45             6              51            1                0.948881
               46             6              47            6                0.912405
               46             6              52            1                0.953043
               46             6              53            1                0.949039
               47             6              48            6                0.905259
               47             6              54            1                0.955315
               47             6              55            1                0.953183
               48             6              49            6                0.904735
               48             6              56            1                0.952330
               48             6              57            1                0.950462
               49             6              58            1                0.951455
               49             6              59            1                0.952147
               60             6              61            6                0.921544
               60             6              64            6                0.880225
               60             6              65            1                0.954858
               60             6              66            1                0.953236
               61             6              62            6                0.908370
               61             6              67            1                0.947523
               61             6              68            1                0.952615
               62             6              63            6                0.907582
               62             6              69            1                0.955414
               62             6              70            1                0.956666
               63             6              64            6                0.916167
               63             6              71            1                0.947735
               63             6              72            1                0.949649
               64             6              73            1                0.948343
               64             6              74            1                0.939479
               75             6              76            6                0.882976
               75             6              79            6                0.902914
               75             6              80            1                0.948161
               75             6              81            1                0.955620
               76             6              77            6                0.910220
               76             6              82            1                0.962108
               76             6              83            1                0.950955
               77             6              78            6                0.898047
               77             6              84            1                0.959016
               77             6              85            1                0.942915
               78             6              79            6                0.906912
               78             6              86            1                0.951016
               78             6              87            1                0.946470
               79             6              88            1                0.940859
               79             6              89            1                0.947774
# -----------------------------------------------------------
$ 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     6.2391     6.0000    -0.2391     3.9751     3.6557     0.3194
  1   0     6.2091     6.0000    -0.2091     4.0062     3.6927     0.3135
  2   0     6.1820     6.0000    -0.1820     3.9819     3.6661     0.3158
  3   0     6.2818     6.0000    -0.2818     3.9777     3.6462     0.3315
  4   0     6.1692     6.0000    -0.1692     3.9411     3.6244     0.3167
  5   0     0.8882     1.0000     0.1118     0.9774     0.9250     0.0524
  6   0     0.8959     1.0000     0.1041     0.9774     0.9261     0.0513
  7   0     0.8877     1.0000     0.1123     0.9820     0.9334     0.0486
  8   0     0.8879     1.0000     0.1121     0.9858     0.9366     0.0492
  9   0     0.8901     1.0000     0.1099     0.9796     0.9298     0.0498
 10   0     0.8923     1.0000     0.1077     0.9904     0.9381     0.0523
 11   0     0.8873     1.0000     0.1127     0.9755     0.9228     0.0527
 12   0     0.8940     1.0000     0.1060     0.9852     0.9309     0.0543
 13   0     0.8863     1.0000     0.1137     0.9806     0.9309     0.0497
 14   0     0.9108     1.0000     0.0892     0.9906     0.9373     0.0533
 15   0     6.2428     6.0000    -0.2428     3.9865     3.6632     0.3233
 16   0     6.1681     6.0000    -0.1681     3.9859     3.6726     0.3133
 17   0     6.2499     6.0000    -0.2499     3.9895     3.6743     0.3152
 18   0     6.2445     6.0000    -0.2445     3.9868     3.6655     0.3213
 19   0     6.1874     6.0000    -0.1874     3.9756     3.6603     0.3153
 20   0     0.8990     1.0000     0.1010     0.9847     0.9326     0.0521
 21   0     0.8817     1.0000     0.1183     0.9762     0.9256     0.0506
 22   0     0.8953     1.0000     0.1047     0.9805     0.9285     0.0520
 23   0     0.8825     1.0000     0.1175     0.9788     0.9292     0.0496
 24   0     0.8936     1.0000     0.1064     0.9746     0.9222     0.0524
 25   0     0.8960     1.0000     0.1040     0.9846     0.9322     0.0524
 26   0     0.8749     1.0000     0.1251     0.9745     0.9257     0.0488
 27   0     0.8961     1.0000     0.1039     0.9810     0.9272     0.0538
 28   0     0.8954     1.0000     0.1046     0.9912     0.9403     0.0509
 29   0     0.8891     1.0000     0.1109     0.9813     0.9293     0.0520
 30   0     6.2333     6.0000    -0.2333     4.0125     3.6920     0.3205
 31   0     6.1883     6.0000    -0.1883     4.0197     3.7140     0.3057
 32   0     6.2200     6.0000    -0.2200     3.9954     3.6881     0.3073
 33   0     6.2846     6.0000    -0.2846     3.9602     3.6221     0.3381
 34   0     6.1897     6.0000    -0.1897     3.9791     3.6675     0.3116
 35   0     0.8947     1.0000     0.1053     0.9808     0.9283     0.0525
 36   0     0.8726     1.0000     0.1274     0.9735     0.9246     0.0489
 37   0     0.9006     1.0000     0.0994     0.9818     0.9331     0.0487
 38   0     0.8741     1.0000     0.1259     0.9737     0.9270     0.0467
 39   0     0.8864     1.0000     0.1136     0.9730     0.9241     0.0489
 40   0     0.8947     1.0000     0.1053     0.9818     0.9324     0.0494
 41   0     0.8989     1.0000     0.1011     0.9788     0.9251     0.0537
 42   0     0.8839     1.0000     0.1161     0.9681     0.9135     0.0546
 43   0     0.8975     1.0000     0.1025     0.9852     0.9355     0.0497
 44   0     0.8806     1.0000     0.1194     0.9777     0.9295     0.0482
 45   0     6.2490     6.0000    -0.2490     3.9835     3.6612     0.3223
 46   0     6.1900     6.0000    -0.1900     3.9902     3.6842     0.3060
 47   0     6.2354     6.0000    -0.2354     3.9766     3.6661     0.3105
 48   0     6.2166     6.0000    -0.2166     3.9955     3.6752     0.3203
 49   0     6.2151     6.0000    -0.2151     3.9708     3.6574     0.3134
 50   0     0.8913     1.0000     0.1087     0.9801     0.9275     0.0526
 51   0     0.8887     1.0000     0.1113     0.9746     0.9210     0.0536
 52   0     0.8914     1.0000     0.1086     0.9765     0.9253     0.0512
 53   0     0.8892     1.0000     0.1108     0.9781     0.9273     0.0508
 54   0     0.8960     1.0000     0.1040     0.9699     0.9158     0.0541
 55   0     0.8872     1.0000     0.1128     0.9734     0.9230     0.0504
 56   0     0.8865     1.0000     0.1135     0.9760     0.9242     0.0518
 57   0     0.8829     1.0000     0.1171     0.9785     0.9281     0.0504
 58   0     0.9007     1.0000     0.0993     0.9856     0.9342     0.0514
 59   0     0.8806     1.0000     0.1194     0.9821     0.9352     0.0469
 60   0     6.2414     6.0000    -0.2414     3.9910     3.6671     0.3239
 61   0     6.1828     6.0000    -0.1828     4.0000     3.6881     0.3119
 62   0     6.2430     6.0000    -0.2430     3.9793     3.6591     0.3202
 63   0     6.2199     6.0000    -0.2199     4.0043     3.6829     0.3214
 64   0     6.2580     6.0000    -0.2580     3.9839     3.6530     0.3309
 65   0     0.8852     1.0000     0.1148     0.9792     0.9280     0.0512
 66   0     0.8811     1.0000     0.1189     0.9742     0.9224     0.0518
 67   0     0.8918     1.0000     0.1082     0.9775     0.9255     0.0520
 68   0     0.8870     1.0000     0.1130     0.9832     0.9343     0.0489
 69   0     0.8914     1.0000     0.1086     0.9738     0.9208     0.0530
 70   0     0.8884     1.0000     0.1116     0.9738     0.9237     0.0501
 71   0     0.8830     1.0000     0.1170     0.9752     0.9237     0.0515
 72   0     0.8867     1.0000     0.1133     0.9782     0.9260     0.0522
 73   0     0.8903     1.0000     0.1097     0.9794     0.9239     0.0555
 74   0     0.8708     1.0000     0.1292     0.9694     0.9161     0.0533
 75   0     6.2667     6.0000    -0.2667     3.9661     3.6351     0.3310
 76   0     6.1856     6.0000    -0.1856     3.9694     3.6610     0.3084
 77   0     6.2288     6.0000    -0.2288     3.9982     3.6807     0.3175
 78   0     6.2408     6.0000    -0.2408     3.9805     3.6531     0.3274
 79   0     6.2101     6.0000    -0.2101     3.9919     3.6713     0.3206
 80   0     0.8788     1.0000     0.1212     0.9712     0.9197     0.0515
 81   0     0.8947     1.0000     0.1053     0.9702     0.9150     0.0552
 82   0     0.9068     1.0000     0.0932     0.9842     0.9323     0.0519
 83   0     0.8835     1.0000     0.1165     0.9792     0.9313     0.0479
 84   0     0.8874     1.0000     0.1126     0.9774     0.9272     0.0502
 85   0     0.8801     1.0000     0.1199     0.9764     0.9251     0.0513
 86   0     0.8852     1.0000     0.1148     0.9735     0.9208     0.0527
 87   0     0.8849     1.0000     0.1151     0.9737     0.9205     0.0532
 88   0     0.8787     1.0000     0.1213     0.9748     0.9244     0.0504
 89   0     0.8891     1.0000     0.1109     0.9778     0.9258     0.0520
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.905152
                0             6               4            6                0.911117
                0             6               5            1                0.936941
                0             6               6            1                0.939319
                1             6               2            6                0.930234
                1             6               7            1                0.943558
                1             6               8            1                0.943431
                2             6               3            6                0.900554
                2             6               9            1                0.935701
                2             6              10            1                0.929944
                3             6               4            6                0.895197
                3             6              11            1                0.931760
                3             6              12            1                0.943762
                4             6              13            1                0.933504
                4             6              14            1                0.942835
               15             6              16            6                0.902902
               15             6              19            6                0.908694
               15             6              20            1                0.947772
               15             6              21            1                0.937811
               16             6              17            6                0.937414
               16             6              22            1                0.937484
               16             6              23            1                0.934789
               17             6              18            6                0.902325
               17             6              24            1                0.934674
               17             6              25            1                0.936380
               18             6              19            6                0.912413
               18             6              26            1                0.942685
               18             6              27            1                0.938553
               19             6              28            1                0.939562
               19             6              29            1                0.939686
               30             6              31            6                0.916754
               30             6              34            6                0.934428
               30             6              35            1                0.932685
               30             6              36            1                0.934037
               31             6              32            6                0.946455
               31             6              37            1                0.951254
               31             6              38            1                0.938470
               32             6              33            6                0.896222
               32             6              39            1                0.936954
               32             6              40            1                0.942260
               33             6              34            6                0.907418
               33             6              41            1                0.934404
               33             6              42            1                0.929189
               34             6              43            1                0.941243
               34             6              44            1                0.934135
               45             6              46            6                0.922281
               45             6              49            6                0.903733
               45             6              50            1                0.941315
               45             6              51            1                0.934883
               46             6              47            6                0.922587
               46             6              52            1                0.939209
               46             6              53            1                0.936007
               47             6              48            6                0.915160
               47             6              54            1                0.941103
               47             6              55            1                0.938910
               48             6              49            6                0.907584
               48             6              56            1                0.939818
               48             6              57            1                0.938025
               49             6              58            1                0.939330
               49             6              59            1                0.943815
               60             6              61            6                0.930530
               60             6              64            6                0.899650
               60             6              65            1                0.937117
               60             6              66            1                0.937652
               61             6              62            6                0.913386
               61             6              67            1                0.935086
               61             6              68            1                0.938944
               62             6              63            6                0.918515
               62             6              69            1                0.938626
               62             6              70            1                0.943612
               63             6              64            6                0.929119
               63             6              71            1                0.933231
               63             6              72            1                0.934859
               64             6              73            1                0.933283
               64             6              74            1                0.923652
               75             6              76            6                0.895554
               75             6              79            6                0.909625
               75             6              80            1                0.934600
               75             6              81            1                0.941891
               76             6              77            6                0.918669
               76             6              82            1                0.952642
               76             6              83            1                0.936965
               77             6              78            6                0.905709
               77             6              84            1                0.948284
               77             6              85            1                0.930372
               78             6              79            6                0.919507
               78             6              86            1                0.938623
               78             6              87            1                0.933796
               79             6              88            1                0.930445
               79             6              89            1                0.936113
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1770872683
        Correlation Energy:       -5.0692208970
        Total MP2 Energy:      -1176.2463081652
# -----------------------------------------------------------
$ 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) :        0.5037962996
        Electronic Contribution:
                  0    
      0      -0.797474
      1       0.205617
      2       0.110587
        Nuclear Contribution:
                  0    
      0       0.634638
      1      -0.297235
      2      -0.176735
        Total Dipole moment:
                  0    
      0      -0.162836
      1      -0.091619
      2      -0.066147
# -----------------------------------------------------------
$ 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) :        0.5044031390
        Electronic Contribution:
                  0    
      0      -0.796774
      1       0.204783
      2       0.109324
        Nuclear Contribution:
                  0    
      0       0.634638
      1      -0.297235
      2      -0.176735
        Total Dipole moment:
                  0    
      0      -0.162137
      1      -0.092452
      2      -0.067410
# -----------------------------------------------------------
$ 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) :        0.4434001956
        Electronic Contribution:
                  0    
      0      -0.764019
      1       0.198513
      2       0.113927
        Nuclear Contribution:
                  0    
      0       0.634638
      1      -0.297235
      2      -0.176735
        Total Dipole moment:
                  0    
      0      -0.129382
      1      -0.098723
      2      -0.062807
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     19.310000000000   12.160000000000   16.380000000000
               1 C     18.570000000000   12.900000000000   17.550000000000
               2 C     19.120000000000   14.350000000000   17.660000000000
               3 C     19.930000000000   14.590000000000   16.370000000000
               4 C     20.040000000000   13.200000000000   15.580000000000
               5 H     18.590000000000   11.600000000000   15.720000000000
               6 H     20.070000000000   11.480000000000   16.770000000000
               7 H     18.760000000000   12.320000000000   18.420000000000
               8 H     17.550000000000   12.900000000000   17.270000000000
               9 H     19.790000000000   14.340000000000   18.510000000000
              10 H     18.370000000000   15.150000000000   17.610000000000
              11 H     20.940000000000   15.020000000000   16.530000000000
              12 H     19.490000000000   15.310000000000   15.670000000000
              13 H     21.080000000000   12.950000000000   15.410000000000
              14 H     19.430000000000   13.290000000000   14.670000000000
              15 C     20.130000000000   20.490000000000   17.730000000000
              16 C     18.740000000000   19.770000000000   17.710000000000
              17 C     18.880000000000   18.650000000000   16.750000000000
              18 C     20.260000000000   18.700000000000   16.050000000000
              19 C     21.060000000000   19.860000000000   16.680000000000
              20 H     20.540000000000   20.320000000000   18.720000000000
              21 H     19.900000000000   21.560000000000   17.690000000000
              22 H     18.140000000000   20.610000000000   17.310000000000
              23 H     18.570000000000   19.470000000000   18.740000000000
              24 H     18.080000000000   18.680000000000   16.010000000000
              25 H     18.650000000000   17.680000000000   17.150000000000
              26 H     20.240000000000   18.790000000000   14.980000000000
              27 H     20.800000000000   17.740000000000   16.240000000000
              28 H     21.390000000000   20.490000000000   15.860000000000
              29 H     21.950000000000   19.380000000000   17.130000000000
              30 C     13.600000000000   15.570000000000   15.780000000000
              31 C     13.980000000000   16.690000000000   14.690000000000
              32 C     15.380000000000   16.980000000000   14.870000000000
              33 C     15.960000000000   15.780000000000   15.630000000000
              34 C     14.820000000000   14.710000000000   15.850000000000
              35 H     12.820000000000   14.900000000000   15.390000000000
              36 H     13.260000000000   15.930000000000   16.750000000000
              37 H     13.410000000000   17.490000000000   15.000000000000
              38 H     13.690000000000   16.550000000000   13.700000000000
              39 H     15.570000000000   17.880000000000   15.420000000000
              40 H     15.930000000000   17.070000000000   13.970000000000
              41 H     16.310000000000   16.100000000000   16.640000000000
              42 H     16.890000000000   15.330000000000   15.130000000000
              43 H     14.800000000000   14.390000000000   16.860000000000
              44 H     15.010000000000   13.940000000000   15.140000000000
              45 C     22.370000000000   16.990000000000   19.930000000000
              46 C     23.070000000000   16.350000000000   21.160000000000
              47 C     22.080000000000   16.320000000000   22.210000000000
              48 C     20.770000000000   16.990000000000   21.780000000000
              49 C     21.010000000000   17.560000000000   20.300000000000
              50 H     22.210000000000   16.270000000000   19.110000000000
              51 H     23.000000000000   17.790000000000   19.440000000000
              52 H     23.900000000000   16.960000000000   21.540000000000
              53 H     23.470000000000   15.350000000000   20.920000000000
              54 H     22.420000000000   16.840000000000   23.150000000000
              55 H     22.010000000000   15.330000000000   22.620000000000
              56 H     20.550000000000   17.790000000000   22.520000000000
              57 H     19.920000000000   16.310000000000   21.800000000000
              58 H     21.130000000000   18.640000000000   20.250000000000
              59 H     20.270000000000   17.290000000000   19.640000000000
              60 C     17.910000000000   15.440000000000   12.420000000000
              61 C     17.620000000000   15.740000000000   10.930000000000
              62 C     18.630000000000   16.830000000000   10.590000000000
              63 C     19.130000000000   17.530000000000   11.900000000000
              64 C     18.770000000000   16.550000000000   13.050000000000
              65 H     18.480000000000   14.530000000000   12.560000000000
              66 H     17.010000000000   15.170000000000   13.010000000000
              67 H     16.580000000000   16.120000000000   10.770000000000
              68 H     17.860000000000   15.010000000000   10.200000000000
              69 H     18.120000000000   17.490000000000    9.860000000000
              70 H     19.430000000000   16.460000000000    9.980000000000
              71 H     18.660000000000   18.530000000000   11.900000000000
              72 H     20.230000000000   17.690000000000   11.800000000000
              73 H     18.160000000000   17.100000000000   13.840000000000
              74 H     19.750000000000   16.180000000000   13.540000000000
              75 C     23.700000000000   22.990000000000   14.330000000000
              76 C     22.420000000000   23.610000000000   14.980000000000
              77 C     22.850000000000   24.310000000000   16.240000000000
              78 C     24.440000000000   24.050000000000   16.390000000000
              79 C     25.000000000000   23.160000000000   15.240000000000
              80 H     24.000000000000   23.210000000000   13.300000000000
              81 H     23.470000000000   21.900000000000   14.170000000000
              82 H     21.800000000000   22.750000000000   15.170000000000
              83 H     21.850000000000   24.160000000000   14.290000000000
              84 H     22.300000000000   23.790000000000   16.990000000000
              85 H     22.490000000000   25.360000000000   16.320000000000
              86 H     24.630000000000   23.600000000000   17.390000000000
              87 H     24.980000000000   25.030000000000   16.480000000000
              88 H     25.440000000000   22.220000000000   15.620000000000
              89 H     25.750000000000   23.740000000000   14.650000000000
