-------------------------------------------------------------
----------------------- !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:    -1171.2191634186
# -----------------------------------------------------------
$ 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     6.2191     6.0000    -0.2191     3.9137     3.9137    -0.0000
  1   0     6.1212     6.0000    -0.1212     3.8774     3.8774     0.0000
  2   0     6.1496     6.0000    -0.1496     3.9312     3.9312    -0.0000
  3   0     6.1438     6.0000    -0.1438     3.9308     3.9308    -0.0000
  4   0     6.1330     6.0000    -0.1330     3.9165     3.9165    -0.0000
  5   0     0.9297     1.0000     0.0703     0.9720     0.9720     0.0000
  6   0     0.9146     1.0000     0.0854     0.9762     0.9762    -0.0000
  7   0     0.9272     1.0000     0.0728     0.9773     0.9773     0.0000
  8   0     0.9385     1.0000     0.0615     0.9877     0.9877     0.0000
  9   0     0.9386     1.0000     0.0614     0.9829     0.9829    -0.0000
 10   0     0.9166     1.0000     0.0834     0.9764     0.9764    -0.0000
 11   0     0.9046     1.0000     0.0954     0.9751     0.9751    -0.0000
 12   0     0.9233     1.0000     0.0767     0.9799     0.9799    -0.0000
 13   0     0.9192     1.0000     0.0808     0.9763     0.9763     0.0000
 14   0     0.9194     1.0000     0.0806     0.9787     0.9787     0.0000
 15   0     6.1578     6.0000    -0.1578     3.9134     3.9134    -0.0000
 16   0     6.1126     6.0000    -0.1126     3.8706     3.8706    -0.0000
 17   0     6.2148     6.0000    -0.2148     3.9109     3.9109     0.0000
 18   0     6.1636     6.0000    -0.1636     3.8923     3.8923     0.0000
 19   0     6.1384     6.0000    -0.1384     3.9108     3.9108     0.0000
 20   0     0.9132     1.0000     0.0868     0.9744     0.9744    -0.0000
 21   0     0.9202     1.0000     0.0798     0.9756     0.9756     0.0000
 22   0     0.9684     1.0000     0.0316     0.9879     0.9879    -0.0000
 23   0     0.9198     1.0000     0.0802     0.9819     0.9819    -0.0000
 24   0     0.9128     1.0000     0.0872     0.9730     0.9730     0.0000
 25   0     0.9097     1.0000     0.0903     0.9809     0.9809     0.0000
 26   0     0.9314     1.0000     0.0686     0.9837     0.9837     0.0000
 27   0     0.8923     1.0000     0.1077     0.9694     0.9694     0.0000
 28   0     0.9278     1.0000     0.0722     0.9817     0.9817     0.0000
 29   0     0.9218     1.0000     0.0782     0.9817     0.9817     0.0000
 30   0     6.1973     6.0000    -0.1973     3.8826     3.8826    -0.0000
 31   0     6.1378     6.0000    -0.1378     3.8540     3.8540    -0.0000
 32   0     6.1437     6.0000    -0.1437     3.8961     3.8961     0.0000
 33   0     6.1596     6.0000    -0.1596     3.8933     3.8933    -0.0000
 34   0     6.1627     6.0000    -0.1627     3.8963     3.8963    -0.0000
 35   0     0.9194     1.0000     0.0806     0.9767     0.9767    -0.0000
 36   0     0.9158     1.0000     0.0842     0.9719     0.9719    -0.0000
 37   0     0.9205     1.0000     0.0795     0.9764     0.9764    -0.0000
 38   0     0.9246     1.0000     0.0754     0.9821     0.9821    -0.0000
 39   0     0.9192     1.0000     0.0808     0.9778     0.9778     0.0000
 40   0     0.9269     1.0000     0.0731     0.9903     0.9903     0.0000
 41   0     0.9154     1.0000     0.0846     0.9723     0.9723    -0.0000
 42   0     0.9161     1.0000     0.0839     0.9808     0.9808    -0.0000
 43   0     0.9198     1.0000     0.0802     0.9800     0.9800    -0.0000
 44   0     0.9181     1.0000     0.0819     0.9749     0.9749    -0.0000
 45   0     6.1289     6.0000    -0.1289     3.9025     3.9025    -0.0000
 46   0     6.1616     6.0000    -0.1616     3.9249     3.9249     0.0000
 47   0     6.2174     6.0000    -0.2174     3.8607     3.8607     0.0000
 48   0     6.1585     6.0000    -0.1585     3.8904     3.8904     0.0000
 49   0     6.1768     6.0000    -0.1768     3.8991     3.8991     0.0000
 50   0     0.8886     1.0000     0.1114     0.9666     0.9666    -0.0000
 51   0     0.9258     1.0000     0.0742     0.9695     0.9695    -0.0000
 52   0     0.9160     1.0000     0.0840     0.9728     0.9728     0.0000
 53   0     0.9081     1.0000     0.0919     0.9798     0.9798     0.0000
 54   0     0.9079     1.0000     0.0921     0.9675     0.9675     0.0000
 55   0     0.9173     1.0000     0.0827     0.9684     0.9684    -0.0000
 56   0     0.9083     1.0000     0.0917     0.9729     0.9729    -0.0000
 57   0     0.9184     1.0000     0.0816     0.9691     0.9691     0.0000
 58   0     0.9289     1.0000     0.0711     0.9810     0.9810     0.0000
 59   0     0.9339     1.0000     0.0661     0.9896     0.9896    -0.0000
 60   0     6.2045     6.0000    -0.2045     3.8706     3.8706     0.0000
 61   0     6.1571     6.0000    -0.1571     3.8853     3.8853     0.0000
 62   0     6.1370     6.0000    -0.1370     3.8965     3.8965    -0.0000
 63   0     6.1944     6.0000    -0.1944     3.9249     3.9249    -0.0000
 64   0     6.1292     6.0000    -0.1292     3.8942     3.8942     0.0000
 65   0     0.9112     1.0000     0.0888     0.9729     0.9729     0.0000
 66   0     0.9313     1.0000     0.0687     0.9855     0.9855     0.0000
 67   0     0.9219     1.0000     0.0781     0.9952     0.9952     0.0000
 68   0     0.9270     1.0000     0.0730     0.9735     0.9735     0.0000
 69   0     0.9272     1.0000     0.0728     0.9809     0.9809     0.0000
 70   0     0.9048     1.0000     0.0952     0.9721     0.9721     0.0000
 71   0     0.9125     1.0000     0.0875     0.9726     0.9726     0.0000
 72   0     0.9147     1.0000     0.0853     0.9799     0.9799    -0.0000
 73   0     0.9225     1.0000     0.0775     0.9799     0.9799     0.0000
 74   0     0.9089     1.0000     0.0911     0.9766     0.9766     0.0000
 75   0     6.1435     6.0000    -0.1435     3.8909     3.8909     0.0000
 76   0     6.1680     6.0000    -0.1680     3.8939     3.8939     0.0000
 77   0     6.1865     6.0000    -0.1865     3.8679     3.8679     0.0000
 78   0     6.1185     6.0000    -0.1185     3.8592     3.8592    -0.0000
 79   0     6.1532     6.0000    -0.1532     3.9330     3.9330    -0.0000
 80   0     0.9253     1.0000     0.0747     0.9793     0.9793     0.0000
 81   0     0.9157     1.0000     0.0843     0.9776     0.9776    -0.0000
 82   0     0.9165     1.0000     0.0835     0.9807     0.9807     0.0000
 83   0     0.9161     1.0000     0.0839     0.9757     0.9757     0.0000
 84   0     0.9244     1.0000     0.0756     0.9725     0.9725     0.0000
 85   0     0.9232     1.0000     0.0768     0.9765     0.9765     0.0000
 86   0     0.9228     1.0000     0.0772     0.9810     0.9810    -0.0000
 87   0     0.9526     1.0000     0.0474     0.9912     0.9912    -0.0000
 88   0     0.9123     1.0000     0.0877     0.9831     0.9831    -0.0000
 89   0     0.9208     1.0000     0.0792     0.9738     0.9738    -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                0.979991
                0             6               4            6                0.965276
                0             6               5            1                1.000295
                0             6               6            1                0.992891
                1             6               2            6                0.969886
                1             6               7            1                0.982106
                1             6               8            1                0.993421
                2             6               3            6                0.981441
                2             6               9            1                0.999300
                2             6              10            1                0.997010
                3             6               4            6                0.982265
                3             6              11            1                0.985799
                3             6              12            1                1.002233
                4             6              13            1                0.991609
                4             6              14            1                1.003859
               15             6              16            6                0.958561
               15             6              19            6                0.983691
               15             6              20            1                0.994080
               15             6              21            1                0.991668
               16             6              17            6                0.961929
               16             6              22            1                1.011280
               16             6              23            1                0.985854
               17             6              18            6                0.963237
               17             6              24            1                1.000167
               17             6              25            1                0.994905
               18             6              19            6                0.978260
               18             6              26            1                1.000773
               18             6              27            1                0.977383
               19             6              28            1                0.986652
               19             6              29            1                0.994954
               30             6              31            6                0.950199
               30             6              34            6                0.973669
               30             6              35            1                0.994961
               30             6              36            1                0.988639
               31             6              32            6                0.966332
               31             6              37            1                0.987005
               31             6              38            1                0.998776
               32             6              33            6                0.969679
               32             6              39            1                0.988751
               32             6              40            1                0.997498
               33             6              34            6                0.972658
               33             6              41            1                0.990032
               33             6              42            1                0.989116
               34             6              43            1                0.989704
               34             6              44            1                0.988216
               45             6              46            6                0.988299
               45             6              49            6                0.971042
               45             6              50            1                0.978860
               45             6              51            1                0.991767
               46             6              47            6                0.968736
               46             6              52            1                0.997555
               46             6              53            1                0.988886
               47             6              48            6                0.962982
               47             6              54            1                0.994375
               47             6              55            1                0.992453
               48             6              49            6                0.973662
               48             6              56            1                0.989502
               48             6              57            1                0.996162
               49             6              58            1                0.994122
               49             6              59            1                0.992002
               60             6              61            6                0.963222
               60             6              64            6                0.963591
               60             6              65            1                0.984361
               60             6              66            1                0.995762
               61             6              62            6                0.977002
               61             6              67            1                0.996954
               61             6              68            1                0.984741
               62             6              63            6                0.978951
               62             6              69            1                0.994893
               62             6              70            1                0.986440
               63             6              64            6                0.985554
               63             6              71            1                0.990366
               63             6              72            1                0.989748
               64             6              73            1                0.995431
               64             6              74            1                0.989127
               75             6              76            6                0.973310
               75             6              79            6                0.977310
               75             6              80            1                0.996655
               75             6              81            1                0.990613
               76             6              77            6                0.961969
               76             6              82            1                0.991719
               76             6              83            1                0.991409
               77             6              78            6                0.947629
               77             6              84            1                0.988883
               77             6              85            1                1.004031
               78             6              79            6                0.972476
               78             6              86            1                0.990650
               78             6              87            1                0.999485
               79             6              88            1                0.990835
               79             6              89            1                0.995128
# -----------------------------------------------------------
$ 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     6.2269     6.0000    -0.2269     4.0264     3.7029     0.3235
  1   0     6.1294     6.0000    -0.1294     3.9874     3.6648     0.3226
  2   0     6.1572     6.0000    -0.1572     4.0371     3.7200     0.3171
  3   0     6.1511     6.0000    -0.1511     4.0354     3.7224     0.3130
  4   0     6.1414     6.0000    -0.1414     4.0243     3.7101     0.3142
  5   0     0.9256     1.0000     0.0744     0.9820     0.9289     0.0531
  6   0     0.9108     1.0000     0.0892     0.9858     0.9323     0.0535
  7   0     0.9231     1.0000     0.0769     0.9869     0.9321     0.0548
  8   0     0.9340     1.0000     0.0660     0.9975     0.9454     0.0521
  9   0     0.9347     1.0000     0.0653     0.9931     0.9385     0.0546
 10   0     0.9128     1.0000     0.0872     0.9856     0.9358     0.0498
 11   0     0.9009     1.0000     0.0991     0.9840     0.9331     0.0509
 12   0     0.9194     1.0000     0.0806     0.9895     0.9394     0.0501
 13   0     0.9155     1.0000     0.0845     0.9859     0.9355     0.0504
 14   0     0.9151     1.0000     0.0849     0.9877     0.9382     0.0495
 15   0     6.1664     6.0000    -0.1664     4.0242     3.7056     0.3186
 16   0     6.1200     6.0000    -0.1200     3.9780     3.6537     0.3243
 17   0     6.2218     6.0000    -0.2218     4.0220     3.6948     0.3272
 18   0     6.1714     6.0000    -0.1714     4.0042     3.6698     0.3344
 19   0     6.1454     6.0000    -0.1454     4.0171     3.6953     0.3218
 20   0     0.9093     1.0000     0.0907     0.9838     0.9323     0.0515
 21   0     0.9163     1.0000     0.0837     0.9851     0.9338     0.0513
 22   0     0.9647     1.0000     0.0353     0.9995     0.9408     0.0587
 23   0     0.9163     1.0000     0.0837     0.9921     0.9379     0.0542
 24   0     0.9090     1.0000     0.0910     0.9824     0.9316     0.0508
 25   0     0.9059     1.0000     0.0941     0.9902     0.9413     0.0489
 26   0     0.9276     1.0000     0.0724     0.9934     0.9407     0.0527
 27   0     0.8886     1.0000     0.1114     0.9781     0.9264     0.0517
 28   0     0.9243     1.0000     0.0757     0.9921     0.9381     0.0540
 29   0     0.9178     1.0000     0.0822     0.9912     0.9402     0.0510
 30   0     6.2051     6.0000    -0.2051     3.9938     3.6667     0.3271
 31   0     6.1458     6.0000    -0.1458     3.9635     3.6436     0.3199
 32   0     6.1511     6.0000    -0.1511     4.0031     3.6874     0.3157
 33   0     6.1675     6.0000    -0.1675     4.0023     3.6821     0.3202
 34   0     6.1701     6.0000    -0.1701     4.0051     3.6821     0.3230
 35   0     0.9155     1.0000     0.0845     0.9860     0.9329     0.0531
 36   0     0.9121     1.0000     0.0879     0.9814     0.9268     0.0546
 37   0     0.9166     1.0000     0.0834     0.9859     0.9337     0.0522
 38   0     0.9206     1.0000     0.0794     0.9916     0.9401     0.0515
 39   0     0.9152     1.0000     0.0848     0.9872     0.9354     0.0518
 40   0     0.9231     1.0000     0.0769     0.9998     0.9502     0.0496
 41   0     0.9116     1.0000     0.0884     0.9818     0.9281     0.0537
 42   0     0.9122     1.0000     0.0878     0.9898     0.9391     0.0507
 43   0     0.9160     1.0000     0.0840     0.9895     0.9376     0.0519
 44   0     0.9143     1.0000     0.0857     0.9845     0.9295     0.0550
 45   0     6.1379     6.0000    -0.1379     4.0133     3.6957     0.3176
 46   0     6.1688     6.0000    -0.1688     4.0318     3.7124     0.3194
 47   0     6.2259     6.0000    -0.2259     3.9784     3.6393     0.3391
 48   0     6.1670     6.0000    -0.1670     4.0016     3.6768     0.3248
 49   0     6.1834     6.0000    -0.1834     4.0080     3.6855     0.3225
 50   0     0.8848     1.0000     0.1152     0.9751     0.9269     0.0482
 51   0     0.9214     1.0000     0.0786     0.9791     0.9254     0.0537
 52   0     0.9123     1.0000     0.0877     0.9823     0.9288     0.0535
 53   0     0.9043     1.0000     0.0957     0.9887     0.9381     0.0506
 54   0     0.9039     1.0000     0.0961     0.9766     0.9221     0.0545
 55   0     0.9136     1.0000     0.0864     0.9782     0.9212     0.0570
 56   0     0.9043     1.0000     0.0957     0.9818     0.9314     0.0504
 57   0     0.9142     1.0000     0.0858     0.9785     0.9257     0.0528
 58   0     0.9246     1.0000     0.0754     0.9906     0.9365     0.0541
 59   0     0.9308     1.0000     0.0692     1.0008     0.9456     0.0552
 60   0     6.2118     6.0000    -0.2118     3.9850     3.6547     0.3303
 61   0     6.1654     6.0000    -0.1654     3.9983     3.6654     0.3329
 62   0     6.1448     6.0000    -0.1448     4.0047     3.6861     0.3186
 63   0     6.2020     6.0000    -0.2020     4.0351     3.7095     0.3256
 64   0     6.1374     6.0000    -0.1374     4.0024     3.6811     0.3213
 65   0     0.9070     1.0000     0.0930     0.9818     0.9290     0.0528
 66   0     0.9279     1.0000     0.0721     0.9968     0.9427     0.0541
 67   0     0.9178     1.0000     0.0822     1.0042     0.9522     0.0520
 68   0     0.9228     1.0000     0.0772     0.9832     0.9245     0.0587
 69   0     0.9232     1.0000     0.0768     0.9906     0.9386     0.0520
 70   0     0.9009     1.0000     0.0991     0.9811     0.9309     0.0502
 71   0     0.9087     1.0000     0.0913     0.9818     0.9293     0.0525
 72   0     0.9108     1.0000     0.0892     0.9892     0.9359     0.0533
 73   0     0.9184     1.0000     0.0816     0.9892     0.9376     0.0516
 74   0     0.9050     1.0000     0.0950     0.9858     0.9358     0.0500
 75   0     6.1507     6.0000    -0.1507     3.9976     3.6822     0.3154
 76   0     6.1758     6.0000    -0.1758     4.0040     3.6793     0.3247
 77   0     6.1933     6.0000    -0.1933     3.9779     3.6579     0.3200
 78   0     6.1264     6.0000    -0.1264     3.9673     3.6485     0.3188
 79   0     6.1612     6.0000    -0.1612     4.0392     3.7233     0.3159
 80   0     0.9215     1.0000     0.0785     0.9891     0.9386     0.0505
 81   0     0.9120     1.0000     0.0880     0.9872     0.9371     0.0501
 82   0     0.9127     1.0000     0.0873     0.9900     0.9405     0.0495
 83   0     0.9123     1.0000     0.0877     0.9851     0.9329     0.0522
 84   0     0.9213     1.0000     0.0787     0.9837     0.9315     0.0522
 85   0     0.9193     1.0000     0.0807     0.9861     0.9355     0.0506
 86   0     0.9189     1.0000     0.0811     0.9905     0.9399     0.0506
 87   0     0.9486     1.0000     0.0514     1.0017     0.9469     0.0548
 88   0     0.9085     1.0000     0.0915     0.9921     0.9438     0.0483
 89   0     0.9169     1.0000     0.0831     0.9831     0.9314     0.0517
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.918333
                0             6               4            6                0.903823
                0             6               5            1                0.958060
                0             6               6            1                0.950309
                1             6               2            6                0.907395
                1             6               7            1                0.938062
                1             6               8            1                0.952188
                2             6               3            6                0.919123
                2             6               9            1                0.955936
                2             6              10            1                0.957537
                3             6               4            6                0.919955
                3             6              11            1                0.945275
                3             6              12            1                0.962650
                4             6              13            1                0.952090
                4             6              14            1                0.964402
               15             6              16            6                0.898681
               15             6              19            6                0.920584
               15             6              20            1                0.953285
               15             6              21            1                0.951393
               16             6              17            6                0.897674
               16             6              22            1                0.964440
               16             6              23            1                0.943380
               17             6              18            6                0.893878
               17             6              24            1                0.959530
               17             6              25            1                0.956386
               18             6              19            6                0.912091
               18             6              26            1                0.958585
               18             6              27            1                0.936104
               19             6              28            1                0.944524
               19             6              29            1                0.954554
               30             6              31            6                0.887530
               30             6              34            6                0.910075
               30             6              35            1                0.952440
               30             6              36            1                0.945077
               31             6              32            6                0.903576
               31             6              37            1                0.945730
               31             6              38            1                0.958010
               32             6              33            6                0.907711
               32             6              39            1                0.947709
               32             6              40            1                0.958584
               33             6              34            6                0.910419
               33             6              41            1                0.947252
               33             6              42            1                0.949003
               34             6              43            1                0.948791
               34             6              44            1                0.944343
               45             6              46            6                0.927029
               45             6              49            6                0.910949
               45             6              50            1                0.940395
               45             6              51            1                0.948713
               46             6              47            6                0.903896
               46             6              52            1                0.954781
               46             6              53            1                0.948803
               47             6              48            6                0.898850
               47             6              54            1                0.950186
               47             6              55            1                0.946489
               48             6              49            6                0.909900
               48             6              56            1                0.949233
               48             6              57            1                0.953719
               49             6              58            1                0.950664
               49             6              59            1                0.949227
               60             6              61            6                0.899988
               60             6              64            6                0.898585
               60             6              65            1                0.941580
               60             6              66            1                0.953899
               61             6              62            6                0.913072
               61             6              67            1                0.955183
               61             6              68            1                0.937172
               62             6              63            6                0.916267
               62             6              69            1                0.953930
               62             6              70            1                0.946840
               63             6              64            6                0.920925
               63             6              71            1                0.948436
               63             6              72            1                0.947425
               64             6              73            1                0.954335
               64             6              74            1                0.949695
               75             6              76            6                0.908683
               75             6              79            6                0.914635
               75             6              80            1                0.956951
               75             6              81            1                0.951478
               76             6              77            6                0.896237
               76             6              82            1                0.952864
               76             6              83            1                0.949789
               77             6              78            6                0.885908
               77             6              84            1                0.949112
               77             6              85            1                0.963874
               78             6              79            6                0.909125
               78             6              86            1                0.950723
               78             6              87            1                0.956361
               79             6              88            1                0.953007
               79             6              89            1                0.953651
# -----------------------------------------------------------
$ 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     6.2690     6.0000    -0.2690     4.0032     3.6843     0.3189
  1   0     6.1913     6.0000    -0.1913     3.9797     3.6614     0.3183
  2   0     6.2128     6.0000    -0.2128     4.0274     3.7143     0.3131
  3   0     6.2005     6.0000    -0.2005     4.0198     3.7107     0.3091
  4   0     6.1998     6.0000    -0.1998     4.0098     3.6993     0.3105
  5   0     0.8982     1.0000     0.1018     0.9724     0.9204     0.0520
  6   0     0.8837     1.0000     0.1163     0.9771     0.9249     0.0522
  7   0     0.8955     1.0000     0.1045     0.9770     0.9236     0.0534
  8   0     0.8995     1.0000     0.1005     0.9870     0.9364     0.0506
  9   0     0.9024     1.0000     0.0976     0.9844     0.9312     0.0532
 10   0     0.8886     1.0000     0.1114     0.9767     0.9280     0.0487
 11   0     0.8804     1.0000     0.1196     0.9769     0.9269     0.0500
 12   0     0.8934     1.0000     0.1066     0.9786     0.9295     0.0491
 13   0     0.8911     1.0000     0.1089     0.9817     0.9323     0.0494
 14   0     0.8904     1.0000     0.1096     0.9776     0.9291     0.0485
 15   0     6.2159     6.0000    -0.2159     4.0078     3.6934     0.3144
 16   0     6.1845     6.0000    -0.1845     3.9763     3.6563     0.3200
 17   0     6.2649     6.0000    -0.2649     3.9988     3.6758     0.3230
 18   0     6.2234     6.0000    -0.2234     3.9860     3.6555     0.3305
 19   0     6.2048     6.0000    -0.2048     4.0027     3.6849     0.3178
 20   0     0.8859     1.0000     0.1141     0.9744     0.9239     0.0505
 21   0     0.8904     1.0000     0.1096     0.9761     0.9259     0.0502
 22   0     0.9285     1.0000     0.0715     0.9906     0.9334     0.0572
 23   0     0.8915     1.0000     0.1085     0.9843     0.9314     0.0529
 24   0     0.8797     1.0000     0.1203     0.9738     0.9244     0.0494
 25   0     0.8820     1.0000     0.1180     0.9813     0.9335     0.0478
 26   0     0.8948     1.0000     0.1052     0.9829     0.9316     0.0513
 27   0     0.8707     1.0000     0.1293     0.9728     0.9220     0.0508
 28   0     0.8957     1.0000     0.1043     0.9871     0.9343     0.0528
 29   0     0.8910     1.0000     0.1090     0.9797     0.9298     0.0499
 30   0     6.2430     6.0000    -0.2430     3.9727     3.6501     0.3226
 31   0     6.2007     6.0000    -0.2007     3.9517     3.6360     0.3157
 32   0     6.2070     6.0000    -0.2070     3.9864     3.6747     0.3117
 33   0     6.2149     6.0000    -0.2149     3.9884     3.6725     0.3159
 34   0     6.2162     6.0000    -0.2162     3.9890     3.6703     0.3187
 35   0     0.8911     1.0000     0.1089     0.9785     0.9264     0.0521
 36   0     0.8902     1.0000     0.1098     0.9745     0.9208     0.0537
 37   0     0.8917     1.0000     0.1083     0.9780     0.9269     0.0511
 38   0     0.8964     1.0000     0.1036     0.9861     0.9358     0.0503
 39   0     0.8909     1.0000     0.1091     0.9789     0.9282     0.0507
 40   0     0.8942     1.0000     0.1058     0.9937     0.9454     0.0483
 41   0     0.8896     1.0000     0.1104     0.9743     0.9216     0.0527
 42   0     0.8870     1.0000     0.1130     0.9810     0.9314     0.0496
 43   0     0.8916     1.0000     0.1084     0.9805     0.9297     0.0508
 44   0     0.8916     1.0000     0.1084     0.9774     0.9234     0.0540
 45   0     6.2045     6.0000    -0.2045     4.0167     3.7034     0.3133
 46   0     6.2106     6.0000    -0.2106     4.0125     3.6973     0.3152
 47   0     6.2690     6.0000    -0.2690     3.9635     3.6291     0.3344
 48   0     6.2169     6.0000    -0.2169     3.9820     3.6615     0.3205
 49   0     6.2285     6.0000    -0.2285     3.9878     3.6700     0.3178
 50   0     0.8625     1.0000     0.1375     0.9710     0.9239     0.0471
 51   0     0.8956     1.0000     0.1044     0.9719     0.9195     0.0524
 52   0     0.8881     1.0000     0.1119     0.9734     0.9209     0.0525
 53   0     0.8814     1.0000     0.1186     0.9806     0.9310     0.0496
 54   0     0.8816     1.0000     0.1184     0.9687     0.9153     0.0534
 55   0     0.8877     1.0000     0.1123     0.9702     0.9144     0.0558
 56   0     0.8830     1.0000     0.1170     0.9768     0.9274     0.0494
 57   0     0.8882     1.0000     0.1118     0.9726     0.9210     0.0516
 58   0     0.8979     1.0000     0.1021     0.9821     0.9292     0.0529
 59   0     0.9032     1.0000     0.0968     0.9957     0.9419     0.0538
 60   0     6.2571     6.0000    -0.2571     3.9849     3.6595     0.3254
 61   0     6.2139     6.0000    -0.2139     3.9869     3.6591     0.3278
 62   0     6.2012     6.0000    -0.2012     3.9913     3.6767     0.3146
 63   0     6.2384     6.0000    -0.2384     4.0127     3.6916     0.3211
 64   0     6.1874     6.0000    -0.1874     3.9917     3.6744     0.3173
 65   0     0.8836     1.0000     0.1164     0.9731     0.9214     0.0517
 66   0     0.9049     1.0000     0.0951     0.9942     0.9414     0.0528
 67   0     0.8913     1.0000     0.1087     0.9983     0.9475     0.0508
 68   0     0.8986     1.0000     0.1014     0.9754     0.9179     0.0575
 69   0     0.8956     1.0000     0.1044     0.9804     0.9296     0.0508
 70   0     0.8796     1.0000     0.1204     0.9741     0.9248     0.0493
 71   0     0.8870     1.0000     0.1130     0.9752     0.9237     0.0515
 72   0     0.8878     1.0000     0.1122     0.9799     0.9276     0.0523
 73   0     0.8938     1.0000     0.1062     0.9813     0.9308     0.0505
 74   0     0.8848     1.0000     0.1152     0.9794     0.9303     0.0491
 75   0     6.2055     6.0000    -0.2055     3.9798     3.6681     0.3117
 76   0     6.2237     6.0000    -0.2237     3.9800     3.6591     0.3209
 77   0     6.2436     6.0000    -0.2436     3.9560     3.6402     0.3158
 78   0     6.1920     6.0000    -0.1920     3.9509     3.6359     0.3150
 79   0     6.2090     6.0000    -0.2090     4.0114     3.6994     0.3120
 80   0     0.8939     1.0000     0.1061     0.9797     0.9303     0.0494
 81   0     0.8873     1.0000     0.1127     0.9800     0.9310     0.0490
 82   0     0.8881     1.0000     0.1119     0.9824     0.9339     0.0485
 83   0     0.8881     1.0000     0.1119     0.9771     0.9259     0.0512
 84   0     0.8934     1.0000     0.1066     0.9786     0.9277     0.0509
 85   0     0.8917     1.0000     0.1083     0.9780     0.9285     0.0495
 86   0     0.8912     1.0000     0.1088     0.9850     0.9356     0.0494
 87   0     0.9144     1.0000     0.0856     0.9932     0.9399     0.0533
 88   0     0.8855     1.0000     0.1145     0.9860     0.9387     0.0473
 89   0     0.8926     1.0000     0.1074     0.9757     0.9249     0.0508
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.925808
                0             6               4            6                0.913358
                0             6               5            1                0.944305
                0             6               6            1                0.932995
                1             6               2            6                0.922358
                1             6               7            1                0.924519
                1             6               8            1                0.936488
                2             6               3            6                0.928809
                2             6               9            1                0.937402
                2             6              10            1                0.944290
                3             6               4            6                0.929281
                3             6              11            1                0.931672
                3             6              12            1                0.948531
                4             6              13            1                0.938984
                4             6              14            1                0.948695
               15             6              16            6                0.916560
               15             6              19            6                0.929262
               15             6              20            1                0.936109
               15             6              21            1                0.936407
               16             6              17            6                0.904567
               16             6              22            1                0.948907
               16             6              23            1                0.928052
               17             6              18            6                0.897987
               17             6              24            1                0.947600
               17             6              25            1                0.944737
               18             6              19            6                0.918576
               18             6              26            1                0.947063
               18             6              27            1                0.924424
               19             6              28            1                0.933000
               19             6              29            1                0.939563
               30             6              31            6                0.894547
               30             6              34            6                0.919721
               30             6              35            1                0.940302
               30             6              36            1                0.929423
               31             6              32            6                0.912403
               31             6              37            1                0.933602
               31             6              38            1                0.947630
               32             6              33            6                0.914295
               32             6              39            1                0.933121
               32             6              40            1                0.948565
               33             6              34            6                0.923350
               33             6              41            1                0.932309
               33             6              42            1                0.936616
               34             6              43            1                0.935899
               34             6              44            1                0.929097
               45             6              46            6                0.938729
               45             6              49            6                0.924712
               45             6              50            1                0.931125
               45             6              51            1                0.933446
               46             6              47            6                0.911173
               46             6              52            1                0.939692
               46             6              53            1                0.934010
               47             6              48            6                0.908785
               47             6              54            1                0.934861
               47             6              55            1                0.929675
               48             6              49            6                0.912134
               48             6              56            1                0.937273
               48             6              57            1                0.940238
               49             6              58            1                0.935286
               49             6              59            1                0.936080
               60             6              61            6                0.913709
               60             6              64            6                0.909502
               60             6              65            1                0.928105
               60             6              66            1                0.941666
               61             6              62            6                0.923897
               61             6              67            1                0.941367
               61             6              68            1                0.918602
               62             6              63            6                0.925030
               62             6              69            1                0.939011
               62             6              70            1                0.932994
               63             6              64            6                0.931406
               63             6              71            1                0.933535
               63             6              72            1                0.931445
               64             6              73            1                0.940660
               64             6              74            1                0.937133
               75             6              76            6                0.914852
               75             6              79            6                0.920379
               75             6              80            1                0.946509
               75             6              81            1                0.940589
               76             6              77            6                0.895495
               76             6              82            1                0.942001
               76             6              83            1                0.937702
               77             6              78            6                0.894295
               77             6              84            1                0.937463
               77             6              85            1                0.953378
               78             6              79            6                0.912606
               78             6              86            1                0.941577
               78             6              87            1                0.942816
               79             6              88            1                0.943351
               79             6              89            1                0.940188
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2191634186
        Correlation Energy:       -5.0677702108
        Total MP2 Energy:      -1176.2869336294
# -----------------------------------------------------------
$ 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) :        0.2752981312
        Electronic Contribution:
                  0    
      0       0.870175
      1      -0.685945
      2       0.400833
        Nuclear Contribution:
                  0    
      0      -0.955973
      1       0.739072
      2      -0.361503
        Total Dipole moment:
                  0    
      0      -0.085798
      1       0.053127
      2       0.039331
# -----------------------------------------------------------
$ 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) :        0.2782432536
        Electronic Contribution:
                  0    
      0       0.869211
      1      -0.685128
      2       0.400814
        Nuclear Contribution:
                  0    
      0      -0.955973
      1       0.739072
      2      -0.361503
        Total Dipole moment:
                  0    
      0      -0.086763
      1       0.053944
      2       0.039311
# -----------------------------------------------------------
$ 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) :        0.3284441345
        Electronic Contribution:
                  0    
      0       0.852215
      1      -0.666923
      2       0.388441
        Nuclear Contribution:
                  0    
      0      -0.955973
      1       0.739072
      2      -0.361503
        Total Dipole moment:
                  0    
      0      -0.103759
      1       0.072149
      2       0.026939
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     15.730000000000   19.950000000000   15.710000000000
               1 C     15.850000000000   18.490000000000   16.080000000000
               2 C     17.090000000000   18.360000000000   16.980000000000
               3 C     17.900000000000   19.640000000000   16.780000000000
               4 C     17.130000000000   20.530000000000   15.780000000000
               5 H     15.140000000000   20.550000000000   16.400000000000
               6 H     15.150000000000   20.100000000000   14.780000000000
               7 H     16.000000000000   17.950000000000   15.110000000000
               8 H     14.900000000000   18.150000000000   16.480000000000
               9 H     17.560000000000   17.400000000000   16.690000000000
              10 H     16.910000000000   18.230000000000   18.010000000000
              11 H     18.960000000000   19.470000000000   16.560000000000
              12 H     17.880000000000   20.130000000000   17.710000000000
              13 H     17.460000000000   20.600000000000   14.780000000000
              14 H     17.080000000000   21.540000000000   16.110000000000
              15 C     17.600000000000   14.220000000000   13.770000000000
              16 C     17.340000000000   14.280000000000   15.260000000000
              17 C     15.820000000000   14.150000000000   15.490000000000
              18 C     15.150000000000   13.950000000000   14.000000000000
              19 C     16.270000000000   14.490000000000   13.030000000000
              20 H     18.010000000000   13.280000000000   13.410000000000
              21 H     18.370000000000   14.890000000000   13.450000000000
              22 H     17.460000000000   15.320000000000   15.650000000000
              23 H     17.970000000000   13.680000000000   15.950000000000
              24 H     15.370000000000   15.010000000000   15.930000000000
              25 H     15.700000000000   13.380000000000   16.170000000000
              26 H     14.370000000000   14.680000000000   13.920000000000
              27 H     14.730000000000   12.940000000000   13.760000000000
              28 H     16.140000000000   15.540000000000   12.700000000000
              29 H     16.190000000000   13.880000000000   12.160000000000
              30 C     21.550000000000   13.710000000000   17.640000000000
              31 C     20.140000000000   13.120000000000   17.700000000000
              32 C     19.230000000000   14.030000000000   18.560000000000
              33 C     20.120000000000   15.100000000000   19.190000000000
              34 C     21.400000000000   15.090000000000   18.330000000000
              35 H     21.800000000000   13.780000000000   16.560000000000
              36 H     22.310000000000   13.020000000000   18.150000000000
              37 H     20.220000000000   12.130000000000   18.160000000000
              38 H     19.840000000000   13.070000000000   16.670000000000
              39 H     18.760000000000   13.540000000000   19.420000000000
              40 H     18.510000000000   14.400000000000   17.910000000000
              41 H     20.330000000000   14.830000000000   20.270000000000
              42 H     19.690000000000   16.090000000000   19.180000000000
              43 H     22.320000000000   15.230000000000   18.890000000000
              44 H     21.320000000000   15.880000000000   17.510000000000
              45 C     12.420000000000   19.140000000000   14.140000000000
              46 C     11.010000000000   19.490000000000   13.690000000000
              47 C     10.340000000000   18.120000000000   13.350000000000
              48 C     11.440000000000   17.010000000000   13.400000000000
              49 C     12.750000000000   17.720000000000   13.760000000000
              50 H     12.610000000000   19.400000000000   15.140000000000
              51 H     13.080000000000   19.790000000000   13.540000000000
              52 H     10.930000000000   20.010000000000   12.710000000000
              53 H     10.410000000000   20.080000000000   14.370000000000
              54 H      9.760000000000   18.160000000000   12.380000000000
              55 H      9.440000000000   17.840000000000   14.010000000000
              56 H     11.510000000000   16.510000000000   12.440000000000
              57 H     11.170000000000   16.310000000000   14.210000000000
              58 H     13.310000000000   17.600000000000   12.800000000000
              59 H     13.270000000000   17.140000000000   14.520000000000
              60 C     12.640000000000   16.320000000000   17.220000000000
              61 C     11.410000000000   17.250000000000   17.150000000000
              62 C     10.430000000000   16.730000000000   18.230000000000
              63 C     10.620000000000   15.200000000000   18.220000000000
              64 C     12.140000000000   15.010000000000   17.930000000000
              65 H     13.430000000000   16.810000000000   17.840000000000
              66 H     13.030000000000   16.060000000000   16.250000000000
              67 H     10.890000000000   17.360000000000   16.200000000000
              68 H     11.760000000000   18.320000000000   17.500000000000
              69 H      9.440000000000   16.980000000000   17.890000000000
              70 H     10.510000000000   17.160000000000   19.220000000000
              71 H     10.040000000000   14.680000000000   17.430000000000
              72 H     10.300000000000   14.760000000000   19.200000000000
              73 H     12.200000000000   14.220000000000   17.190000000000
              74 H     12.720000000000   14.850000000000   18.820000000000
              75 C     17.840000000000   18.930000000000    9.510000000000
              76 C     16.300000000000   18.650000000000    9.710000000000
              77 C     16.170000000000   18.550000000000   11.290000000000
              78 C     17.570000000000   18.630000000000   11.900000000000
              79 C     18.620000000000   19.020000000000   10.840000000000
              80 H     17.910000000000   19.880000000000    9.060000000000
              81 H     18.300000000000   18.210000000000    8.880000000000
              82 H     15.990000000000   17.760000000000    9.230000000000
              83 H     15.670000000000   19.480000000000    9.340000000000
              84 H     15.610000000000   17.700000000000   11.530000000000
              85 H     15.540000000000   19.330000000000   11.630000000000
              86 H     17.880000000000   17.740000000000   12.390000000000
              87 H     17.380000000000   19.400000000000   12.650000000000
              88 H     19.440000000000   18.380000000000   10.970000000000
              89 H     18.870000000000   20.070000000000   11.040000000000
