-------------------------------------------------------------
----------------------- !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:    -1171.2289080718
# -----------------------------------------------------------
$ 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     6.1491     6.0000    -0.1491     3.9077     3.9077    -0.0000
  1   0     6.1877     6.0000    -0.1877     3.9154     3.9154    -0.0000
  2   0     6.1372     6.0000    -0.1372     3.8708     3.8708     0.0000
  3   0     6.1844     6.0000    -0.1844     3.8968     3.8968     0.0000
  4   0     6.1350     6.0000    -0.1350     3.8972     3.8972    -0.0000
  5   0     0.9094     1.0000     0.0906     0.9780     0.9780    -0.0000
  6   0     0.9258     1.0000     0.0742     0.9767     0.9767    -0.0000
  7   0     0.9083     1.0000     0.0917     0.9741     0.9741     0.0000
  8   0     0.9250     1.0000     0.0750     0.9782     0.9782    -0.0000
  9   0     0.9195     1.0000     0.0805     0.9782     0.9782     0.0000
 10   0     0.9282     1.0000     0.0718     0.9881     0.9881     0.0000
 11   0     0.9190     1.0000     0.0810     0.9710     0.9710     0.0000
 12   0     0.9246     1.0000     0.0754     0.9757     0.9757     0.0000
 13   0     0.9284     1.0000     0.0716     0.9815     0.9815     0.0000
 14   0     0.9194     1.0000     0.0806     0.9781     0.9781     0.0000
 15   0     6.1984     6.0000    -0.1984     3.9352     3.9352    -0.0000
 16   0     6.2201     6.0000    -0.2201     3.8791     3.8791    -0.0000
 17   0     6.1054     6.0000    -0.1054     3.8806     3.8806     0.0000
 18   0     6.1996     6.0000    -0.1996     3.9118     3.9118     0.0000
 19   0     6.1208     6.0000    -0.1208     3.9067     3.9067    -0.0000
 20   0     0.9137     1.0000     0.0863     0.9786     0.9786    -0.0000
 21   0     0.9054     1.0000     0.0946     0.9792     0.9792     0.0000
 22   0     0.9261     1.0000     0.0739     0.9741     0.9741    -0.0000
 23   0     0.9192     1.0000     0.0808     0.9739     0.9739     0.0000
 24   0     0.9156     1.0000     0.0844     0.9858     0.9858     0.0000
 25   0     0.9215     1.0000     0.0785     0.9804     0.9804     0.0000
 26   0     0.9171     1.0000     0.0829     0.9757     0.9757     0.0000
 27   0     0.9093     1.0000     0.0907     0.9721     0.9721     0.0000
 28   0     0.9179     1.0000     0.0821     0.9810     0.9810    -0.0000
 29   0     0.9083     1.0000     0.0917     0.9796     0.9796    -0.0000
 30   0     6.1362     6.0000    -0.1362     3.9164     3.9164     0.0000
 31   0     6.1837     6.0000    -0.1837     3.8969     3.8969    -0.0000
 32   0     6.1422     6.0000    -0.1422     3.8533     3.8533    -0.0000
 33   0     6.2379     6.0000    -0.2379     3.8906     3.8906    -0.0000
 34   0     6.1168     6.0000    -0.1168     3.9009     3.9009    -0.0000
 35   0     0.9308     1.0000     0.0692     0.9820     0.9820     0.0000
 36   0     0.9078     1.0000     0.0922     0.9717     0.9717    -0.0000
 37   0     0.9156     1.0000     0.0844     0.9758     0.9758    -0.0000
 38   0     0.9240     1.0000     0.0760     0.9718     0.9718    -0.0000
 39   0     0.9253     1.0000     0.0747     0.9856     0.9856    -0.0000
 40   0     0.9116     1.0000     0.0884     0.9744     0.9744     0.0000
 41   0     0.9155     1.0000     0.0845     0.9709     0.9709    -0.0000
 42   0     0.9202     1.0000     0.0798     0.9806     0.9806    -0.0000
 43   0     0.9179     1.0000     0.0821     0.9823     0.9823    -0.0000
 44   0     0.9164     1.0000     0.0836     0.9746     0.9746    -0.0000
 45   0     6.1608     6.0000    -0.1608     3.8795     3.8795     0.0000
 46   0     6.1384     6.0000    -0.1384     3.8895     3.8895    -0.0000
 47   0     6.1895     6.0000    -0.1895     3.9022     3.9022    -0.0000
 48   0     6.1205     6.0000    -0.1205     3.8855     3.8855    -0.0000
 49   0     6.1566     6.0000    -0.1566     3.8814     3.8814     0.0000
 50   0     0.9443     1.0000     0.0557     0.9873     0.9873    -0.0000
 51   0     0.9241     1.0000     0.0759     0.9764     0.9764     0.0000
 52   0     0.9283     1.0000     0.0717     0.9767     0.9767    -0.0000
 53   0     0.9025     1.0000     0.0975     0.9769     0.9769    -0.0000
 54   0     0.9275     1.0000     0.0725     0.9757     0.9757     0.0000
 55   0     0.9085     1.0000     0.0915     0.9756     0.9756     0.0000
 56   0     0.9160     1.0000     0.0840     0.9759     0.9759    -0.0000
 57   0     0.9314     1.0000     0.0686     0.9822     0.9822     0.0000
 58   0     0.9297     1.0000     0.0703     0.9776     0.9776     0.0000
 59   0     0.9224     1.0000     0.0776     0.9818     0.9818     0.0000
 60   0     6.1537     6.0000    -0.1537     3.9023     3.9023    -0.0000
 61   0     6.1489     6.0000    -0.1489     3.8965     3.8965    -0.0000
 62   0     6.1783     6.0000    -0.1783     3.9020     3.9020    -0.0000
 63   0     6.1585     6.0000    -0.1585     3.8899     3.8899     0.0000
 64   0     6.1743     6.0000    -0.1743     3.8969     3.8969     0.0000
 65   0     0.9076     1.0000     0.0924     0.9731     0.9731    -0.0000
 66   0     0.9312     1.0000     0.0688     0.9780     0.9780     0.0000
 67   0     0.9012     1.0000     0.0988     0.9730     0.9730    -0.0000
 68   0     0.9372     1.0000     0.0628     0.9758     0.9758    -0.0000
 69   0     0.9321     1.0000     0.0679     0.9764     0.9764     0.0000
 70   0     0.9046     1.0000     0.0954     0.9737     0.9737     0.0000
 71   0     0.9190     1.0000     0.0810     0.9728     0.9728     0.0000
 72   0     0.9215     1.0000     0.0785     0.9799     0.9799     0.0000
 73   0     0.9131     1.0000     0.0869     0.9741     0.9741     0.0000
 74   0     0.9167     1.0000     0.0833     0.9774     0.9774     0.0000
 75   0     6.1868     6.0000    -0.1868     3.8837     3.8837    -0.0000
 76   0     6.1339     6.0000    -0.1339     3.8714     3.8714     0.0000
 77   0     6.2023     6.0000    -0.2023     3.8995     3.8995    -0.0000
 78   0     6.1700     6.0000    -0.1700     3.8847     3.8847     0.0000
 79   0     6.1452     6.0000    -0.1452     3.8934     3.8934     0.0000
 80   0     0.9216     1.0000     0.0784     0.9723     0.9723    -0.0000
 81   0     0.9230     1.0000     0.0770     0.9758     0.9758    -0.0000
 82   0     0.9208     1.0000     0.0792     0.9831     0.9831     0.0000
 83   0     0.9121     1.0000     0.0879     0.9778     0.9778     0.0000
 84   0     0.9124     1.0000     0.0876     0.9736     0.9736    -0.0000
 85   0     0.9100     1.0000     0.0900     0.9755     0.9755    -0.0000
 86   0     0.9180     1.0000     0.0820     0.9755     0.9755     0.0000
 87   0     0.9104     1.0000     0.0896     0.9762     0.9762    -0.0000
 88   0     0.9187     1.0000     0.0813     0.9762     0.9762    -0.0000
 89   0     0.9150     1.0000     0.0850     0.9779     0.9779    -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                0.975960
                0             6               4            6                0.976337
                0             6               5            1                0.984084
                0             6               6            1                0.998898
                1             6               2            6                0.972244
                1             6               7            1                0.987440
                1             6               8            1                0.990964
                2             6               3            6                0.963705
                2             6               9            1                0.987085
                2             6              10            1                0.993568
                3             6               4            6                0.970238
                3             6              11            1                0.994853
                3             6              12            1                0.994840
                4             6              13            1                0.999158
                4             6              14            1                0.985477
               15             6              16            6                0.972297
               15             6              19            6                0.978555
               15             6              20            1                1.001768
               15             6              21            1                0.999226
               16             6              17            6                0.961883
               16             6              22            1                0.992549
               16             6              23            1                0.992167
               17             6              18            6                0.988235
               17             6              24            1                0.985720
               17             6              25            1                0.985680
               18             6              19            6                0.975403
               18             6              26            1                0.990803
               18             6              27            1                0.988080
               19             6              28            1                0.997255
               19             6              29            1                0.982369
               30             6              31            6                0.974877
               30             6              34            6                0.993300
               30             6              35            1                0.997157
               30             6              36            1                0.977353
               31             6              32            6                0.962070
               31             6              37            1                0.991161
               31             6              38            1                0.997319
               32             6              33            6                0.960792
               32             6              39            1                0.992534
               32             6              40            1                0.987385
               33             6              34            6                0.963188
               33             6              41            1                0.991816
               33             6              42            1                0.990137
               34             6              43            1                0.987166
               34             6              44            1                0.988497
               45             6              46            6                0.965684
               45             6              49            6                0.958156
               45             6              50            1                0.996026
               45             6              51            1                0.994136
               46             6              47            6                0.970962
               46             6              52            1                0.999324
               46             6              53            1                0.980936
               47             6              48            6                0.966773
               47             6              54            1                1.001013
               47             6              55            1                0.985364
               48             6              49            6                0.966408
               48             6              56            1                0.990964
               48             6              57            1                0.994622
               49             6              58            1                0.993920
               49             6              59            1                0.994083
               60             6              61            6                0.975302
               60             6              64            6                0.979127
               60             6              65            1                0.986513
               60             6              66            1                0.997791
               61             6              62            6                0.974984
               61             6              67            1                0.989075
               61             6              68            1                0.991266
               62             6              63            6                0.976294
               62             6              69            1                0.994251
               62             6              70            1                0.986828
               63             6              64            6                0.954607
               63             6              71            1                0.990917
               63             6              72            1                0.995881
               64             6              73            1                0.994231
               64             6              74            1                0.994416
               75             6              76            6                0.959139
               75             6              79            6                0.969600
               75             6              80            1                0.992683
               75             6              81            1                1.000201
               76             6              77            6                0.975220
               76             6              82            1                0.990691
               76             6              83            1                0.982321
               77             6              78            6                0.960549
               77             6              84            1                0.992329
               77             6              85            1                0.991432
               78             6              79            6                0.974774
               78             6              86            1                0.994095
               78             6              87            1                0.988959
               79             6              88            1                0.990912
               79             6              89            1                0.986232
# -----------------------------------------------------------
$ 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     6.1573     6.0000    -0.1573     4.0165     3.6956     0.3209
  1   0     6.1949     6.0000    -0.1949     4.0252     3.7003     0.3249
  2   0     6.1446     6.0000    -0.1446     3.9785     3.6594     0.3191
  3   0     6.1926     6.0000    -0.1926     4.0070     3.6836     0.3234
  4   0     6.1424     6.0000    -0.1424     4.0028     3.6912     0.3116
  5   0     0.9056     1.0000     0.0944     0.9872     0.9375     0.0497
  6   0     0.9219     1.0000     0.0781     0.9865     0.9355     0.0510
  7   0     0.9045     1.0000     0.0955     0.9834     0.9333     0.0501
  8   0     0.9214     1.0000     0.0786     0.9883     0.9342     0.0541
  9   0     0.9157     1.0000     0.0843     0.9878     0.9335     0.0543
 10   0     0.9243     1.0000     0.0757     0.9977     0.9451     0.0526
 11   0     0.9151     1.0000     0.0849     0.9806     0.9269     0.0537
 12   0     0.9207     1.0000     0.0793     0.9853     0.9315     0.0538
 13   0     0.9243     1.0000     0.0757     0.9909     0.9414     0.0495
 14   0     0.9159     1.0000     0.0841     0.9882     0.9372     0.0510
 15   0     6.2061     6.0000    -0.2061     4.0468     3.7222     0.3246
 16   0     6.2283     6.0000    -0.2283     3.9945     3.6592     0.3353
 17   0     6.1126     6.0000    -0.1126     3.9860     3.6669     0.3191
 18   0     6.2076     6.0000    -0.2076     4.0263     3.6963     0.3300
 19   0     6.1293     6.0000    -0.1293     4.0165     3.6909     0.3256
 20   0     0.9101     1.0000     0.0899     0.9882     0.9374     0.0508
 21   0     0.9014     1.0000     0.0986     0.9877     0.9367     0.0510
 22   0     0.9220     1.0000     0.0780     0.9839     0.9280     0.0559
 23   0     0.9151     1.0000     0.0849     0.9835     0.9306     0.0529
 24   0     0.9116     1.0000     0.0884     0.9948     0.9444     0.0504
 25   0     0.9177     1.0000     0.0823     0.9901     0.9363     0.0538
 26   0     0.9129     1.0000     0.0871     0.9851     0.9327     0.0524
 27   0     0.9052     1.0000     0.0948     0.9813     0.9277     0.0536
 28   0     0.9137     1.0000     0.0863     0.9897     0.9397     0.0500
 29   0     0.9046     1.0000     0.0954     0.9889     0.9349     0.0540
 30   0     6.1437     6.0000    -0.1437     4.0215     3.7077     0.3138
 31   0     6.1918     6.0000    -0.1918     4.0072     3.6839     0.3233
 32   0     6.1491     6.0000    -0.1491     3.9610     3.6393     0.3217
 33   0     6.2451     6.0000    -0.2451     4.0066     3.6699     0.3367
 34   0     6.1248     6.0000    -0.1248     4.0068     3.6880     0.3188
 35   0     0.9268     1.0000     0.0732     0.9915     0.9405     0.0510
 36   0     0.9041     1.0000     0.0959     0.9809     0.9280     0.0529
 37   0     0.9118     1.0000     0.0882     0.9852     0.9331     0.0521
 38   0     0.9202     1.0000     0.0798     0.9816     0.9272     0.0544
 39   0     0.9216     1.0000     0.0784     0.9955     0.9426     0.0529
 40   0     0.9078     1.0000     0.0922     0.9837     0.9304     0.0533
 41   0     0.9117     1.0000     0.0883     0.9804     0.9258     0.0546
 42   0     0.9168     1.0000     0.0832     0.9908     0.9363     0.0545
 43   0     0.9141     1.0000     0.0859     0.9916     0.9409     0.0507
 44   0     0.9126     1.0000     0.0874     0.9839     0.9321     0.0518
 45   0     6.1687     6.0000    -0.1687     3.9880     3.6696     0.3184
 46   0     6.1461     6.0000    -0.1461     3.9966     3.6761     0.3205
 47   0     6.1970     6.0000    -0.1970     4.0119     3.6870     0.3249
 48   0     6.1283     6.0000    -0.1283     3.9903     3.6835     0.3068
 49   0     6.1640     6.0000    -0.1640     3.9885     3.6728     0.3157
 50   0     0.9407     1.0000     0.0593     0.9980     0.9431     0.0549
 51   0     0.9201     1.0000     0.0799     0.9858     0.9341     0.0517
 52   0     0.9244     1.0000     0.0756     0.9865     0.9325     0.0540
 53   0     0.8987     1.0000     0.1013     0.9857     0.9371     0.0486
 54   0     0.9237     1.0000     0.0763     0.9856     0.9309     0.0547
 55   0     0.9048     1.0000     0.0952     0.9849     0.9343     0.0506
 56   0     0.9121     1.0000     0.0879     0.9849     0.9362     0.0487
 57   0     0.9275     1.0000     0.0725     0.9919     0.9413     0.0506
 58   0     0.9258     1.0000     0.0742     0.9875     0.9335     0.0540
 59   0     0.9187     1.0000     0.0813     0.9916     0.9403     0.0513
 60   0     6.1612     6.0000    -0.1612     4.0092     3.6902     0.3190
 61   0     6.1573     6.0000    -0.1573     4.0057     3.6821     0.3236
 62   0     6.1858     6.0000    -0.1858     4.0116     3.6918     0.3198
 63   0     6.1657     6.0000    -0.1657     3.9992     3.6836     0.3156
 64   0     6.1825     6.0000    -0.1825     4.0083     3.6840     0.3243
 65   0     0.9038     1.0000     0.0962     0.9821     0.9315     0.0506
 66   0     0.9274     1.0000     0.0726     0.9881     0.9353     0.0528
 67   0     0.8973     1.0000     0.1027     0.9817     0.9312     0.0505
 68   0     0.9333     1.0000     0.0667     0.9861     0.9296     0.0565
 69   0     0.9282     1.0000     0.0718     0.9865     0.9328     0.0537
 70   0     0.9008     1.0000     0.0992     0.9827     0.9319     0.0508
 71   0     0.9148     1.0000     0.0852     0.9821     0.9320     0.0501
 72   0     0.9176     1.0000     0.0824     0.9895     0.9407     0.0488
 73   0     0.9093     1.0000     0.0907     0.9833     0.9321     0.0512
 74   0     0.9130     1.0000     0.0870     0.9869     0.9349     0.0520
 75   0     6.1946     6.0000    -0.1946     3.9951     3.6726     0.3225
 76   0     6.1411     6.0000    -0.1411     3.9792     3.6557     0.3235
 77   0     6.2098     6.0000    -0.2098     4.0123     3.6793     0.3330
 78   0     6.1772     6.0000    -0.1772     3.9938     3.6735     0.3203
 79   0     6.1528     6.0000    -0.1528     4.0008     3.6793     0.3215
 80   0     0.9178     1.0000     0.0822     0.9822     0.9285     0.0537
 81   0     0.9192     1.0000     0.0808     0.9854     0.9343     0.0511
 82   0     0.9170     1.0000     0.0830     0.9926     0.9406     0.0520
 83   0     0.9082     1.0000     0.0918     0.9870     0.9345     0.0525
 84   0     0.9087     1.0000     0.0913     0.9831     0.9278     0.0553
 85   0     0.9064     1.0000     0.0936     0.9848     0.9331     0.0517
 86   0     0.9143     1.0000     0.0857     0.9850     0.9326     0.0524
 87   0     0.9067     1.0000     0.0933     0.9854     0.9351     0.0503
 88   0     0.9149     1.0000     0.0851     0.9856     0.9334     0.0522
 89   0     0.9112     1.0000     0.0888     0.9871     0.9338     0.0533
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.908189
                0             6               4            6                0.914523
                0             6               5            1                0.945225
                0             6               6            1                0.958517
                1             6               2            6                0.911085
                1             6               7            1                0.947986
                1             6               8            1                0.948200
                2             6               3            6                0.901741
                2             6               9            1                0.943765
                2             6              10            1                0.951802
                3             6               4            6                0.907987
                3             6              11            1                0.952024
                3             6              12            1                0.951902
                4             6              13            1                0.960124
                4             6              14            1                0.946025
               15             6              16            6                0.907301
               15             6              19            6                0.915883
               15             6              20            1                0.961453
               15             6              21            1                0.957688
               16             6              17            6                0.897000
               16             6              22            1                0.947462
               16             6              23            1                0.949925
               17             6              18            6                0.925288
               17             6              24            1                0.946164
               17             6              25            1                0.943069
               18             6              19            6                0.910376
               18             6              26            1                0.949182
               18             6              27            1                0.945278
               19             6              28            1                0.957012
               19             6              29            1                0.938950
               30             6              31            6                0.913348
               30             6              34            6                0.932221
               30             6              35            1                0.956777
               30             6              36            1                0.935347
               31             6              32            6                0.898606
               31             6              37            1                0.949810
               31             6              38            1                0.953833
               32             6              33            6                0.897595
               32             6              39            1                0.950812
               32             6              40            1                0.944564
               33             6              34            6                0.896062
               33             6              41            1                0.947834
               33             6              42            1                0.947271
               34             6              43            1                0.947248
               34             6              44            1                0.947282
               45             6              46            6                0.904708
               45             6              49            6                0.896249
               45             6              50            1                0.953284
               45             6              51            1                0.952934
               46             6              47            6                0.903547
               46             6              52            1                0.955982
               46             6              53            1                0.942822
               47             6              48            6                0.906242
               47             6              54            1                0.957071
               47             6              55            1                0.945684
               48             6              49            6                0.906171
               48             6              56            1                0.952701
               48             6              57            1                0.955059
               49             6              58            1                0.951161
               49             6              59            1                0.953840
               60             6              61            6                0.912134
               60             6              64            6                0.914934
               60             6              65            1                0.946403
               60             6              66            1                0.956155
               61             6              62            6                0.912258
               61             6              67            1                0.948716
               61             6              68            1                0.946347
               62             6              63            6                0.915022
               62             6              69            1                0.951840
               62             6              70            1                0.946539
               63             6              64            6                0.891244
               63             6              71            1                0.951096
               63             6              72            1                0.957658
               64             6              73            1                0.953448
               64             6              74            1                0.953176
               75             6              76            6                0.897233
               75             6              79            6                0.905885
               75             6              80            1                0.950241
               75             6              81            1                0.959881
               76             6              77            6                0.908046
               76             6              82            1                0.949583
               76             6              83            1                0.940415
               77             6              78            6                0.896767
               77             6              84            1                0.947714
               77             6              85            1                0.950402
               78             6              79            6                0.912112
               78             6              86            1                0.952354
               78             6              87            1                0.949374
               79             6              88            1                0.949340
               79             6              89            1                0.943733
# -----------------------------------------------------------
$ 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     6.2119     6.0000    -0.2119     3.9919     3.6747     0.3172
  1   0     6.2372     6.0000    -0.2372     4.0073     3.6868     0.3205
  2   0     6.2034     6.0000    -0.2034     3.9730     3.6582     0.3148
  3   0     6.2326     6.0000    -0.2326     3.9771     3.6581     0.3190
  4   0     6.2001     6.0000    -0.2001     3.9813     3.6735     0.3078
  5   0     0.8823     1.0000     0.1177     0.9809     0.9323     0.0486
  6   0     0.8958     1.0000     0.1042     0.9778     0.9278     0.0500
  7   0     0.8823     1.0000     0.1177     0.9777     0.9286     0.0491
  8   0     0.8963     1.0000     0.1037     0.9808     0.9279     0.0529
  9   0     0.8901     1.0000     0.1099     0.9792     0.9260     0.0532
 10   0     0.8944     1.0000     0.1056     0.9883     0.9371     0.0512
 11   0     0.8918     1.0000     0.1082     0.9738     0.9211     0.0527
 12   0     0.8950     1.0000     0.1050     0.9785     0.9259     0.0526
 13   0     0.8963     1.0000     0.1037     0.9809     0.9325     0.0484
 14   0     0.8913     1.0000     0.1087     0.9842     0.9343     0.0499
 15   0     6.2619     6.0000    -0.2619     4.0331     3.7126     0.3205
 16   0     6.2720     6.0000    -0.2720     3.9821     3.6516     0.3305
 17   0     6.1585     6.0000    -0.1585     3.9752     3.6605     0.3147
 18   0     6.2471     6.0000    -0.2471     4.0055     3.6801     0.3254
 19   0     6.1896     6.0000    -0.1896     4.0138     3.6924     0.3214
 20   0     0.8805     1.0000     0.1195     0.9790     0.9295     0.0495
 21   0     0.8728     1.0000     0.1272     0.9757     0.9261     0.0496
 22   0     0.8997     1.0000     0.1003     0.9772     0.9223     0.0549
 23   0     0.8891     1.0000     0.1109     0.9775     0.9258     0.0517
 24   0     0.8892     1.0000     0.1108     0.9854     0.9360     0.0494
 25   0     0.8978     1.0000     0.1022     0.9830     0.9301     0.0529
 26   0     0.8899     1.0000     0.1101     0.9761     0.9248     0.0513
 27   0     0.8799     1.0000     0.1201     0.9737     0.9214     0.0523
 28   0     0.8908     1.0000     0.1092     0.9816     0.9327     0.0489
 29   0     0.8788     1.0000     0.1212     0.9818     0.9290     0.0528
 30   0     6.1989     6.0000    -0.1989     4.0008     3.6911     0.3097
 31   0     6.2376     6.0000    -0.2376     3.9800     3.6609     0.3191
 32   0     6.2024     6.0000    -0.2024     3.9539     3.6364     0.3175
 33   0     6.2860     6.0000    -0.2860     3.9895     3.6573     0.3322
 34   0     6.1834     6.0000    -0.1834     3.9941     3.6791     0.3150
 35   0     0.8980     1.0000     0.1020     0.9820     0.9322     0.0498
 36   0     0.8820     1.0000     0.1180     0.9757     0.9237     0.0520
 37   0     0.8870     1.0000     0.1130     0.9773     0.9263     0.0510
 38   0     0.8942     1.0000     0.1058     0.9740     0.9207     0.0533
 39   0     0.8942     1.0000     0.1058     0.9863     0.9346     0.0517
 40   0     0.8845     1.0000     0.1155     0.9769     0.9247     0.0522
 41   0     0.8863     1.0000     0.1137     0.9724     0.9190     0.0534
 42   0     0.8883     1.0000     0.1117     0.9821     0.9289     0.0532
 43   0     0.8899     1.0000     0.1101     0.9833     0.9337     0.0496
 44   0     0.8892     1.0000     0.1108     0.9780     0.9272     0.0508
 45   0     6.2252     6.0000    -0.2252     3.9627     3.6485     0.3142
 46   0     6.1984     6.0000    -0.1984     3.9760     3.6595     0.3165
 47   0     6.2399     6.0000    -0.2399     3.9827     3.6619     0.3208
 48   0     6.1887     6.0000    -0.1887     3.9719     3.6689     0.3030
 49   0     6.2126     6.0000    -0.2126     3.9570     3.6455     0.3115
 50   0     0.9086     1.0000     0.0914     0.9935     0.9400     0.0535
 51   0     0.8931     1.0000     0.1069     0.9789     0.9283     0.0506
 52   0     0.8982     1.0000     0.1018     0.9788     0.9258     0.0530
 53   0     0.8787     1.0000     0.1213     0.9820     0.9343     0.0477
 54   0     0.8970     1.0000     0.1030     0.9776     0.9240     0.0536
 55   0     0.8825     1.0000     0.1175     0.9801     0.9305     0.0496
 56   0     0.8864     1.0000     0.1136     0.9788     0.9312     0.0476
 57   0     0.8993     1.0000     0.1007     0.9835     0.9340     0.0495
 58   0     0.8993     1.0000     0.1007     0.9805     0.9277     0.0528
 59   0     0.8921     1.0000     0.1079     0.9880     0.9379     0.0501
 60   0     6.2143     6.0000    -0.2143     3.9940     3.6789     0.3151
 61   0     6.2047     6.0000    -0.2047     3.9863     3.6669     0.3194
 62   0     6.2339     6.0000    -0.2339     3.9935     3.6779     0.3156
 63   0     6.2253     6.0000    -0.2253     3.9951     3.6835     0.3116
 64   0     6.2313     6.0000    -0.2313     3.9917     3.6712     0.3205
 65   0     0.8809     1.0000     0.1191     0.9753     0.9257     0.0496
 66   0     0.9004     1.0000     0.0996     0.9785     0.9268     0.0517
 67   0     0.8758     1.0000     0.1242     0.9754     0.9259     0.0495
 68   0     0.9074     1.0000     0.0926     0.9775     0.9220     0.0555
 69   0     0.9009     1.0000     0.0991     0.9768     0.9241     0.0527
 70   0     0.8766     1.0000     0.1234     0.9760     0.9263     0.0497
 71   0     0.8883     1.0000     0.1117     0.9744     0.9254     0.0490
 72   0     0.8883     1.0000     0.1117     0.9780     0.9304     0.0476
 73   0     0.8844     1.0000     0.1156     0.9749     0.9247     0.0502
 74   0     0.8875     1.0000     0.1125     0.9778     0.9269     0.0509
 75   0     6.2442     6.0000    -0.2442     3.9762     3.6579     0.3183
 76   0     6.1937     6.0000    -0.1937     3.9758     3.6564     0.3194
 77   0     6.2540     6.0000    -0.2540     3.9931     3.6642     0.3289
 78   0     6.2304     6.0000    -0.2304     3.9838     3.6675     0.3163
 79   0     6.1990     6.0000    -0.1990     3.9797     3.6623     0.3174
 80   0     0.8924     1.0000     0.1076     0.9742     0.9216     0.0526
 81   0     0.8904     1.0000     0.1096     0.9759     0.9260     0.0499
 82   0     0.8937     1.0000     0.1063     0.9850     0.9340     0.0510
 83   0     0.8854     1.0000     0.1146     0.9797     0.9282     0.0515
 84   0     0.8835     1.0000     0.1165     0.9742     0.9200     0.0542
 85   0     0.8822     1.0000     0.1178     0.9762     0.9256     0.0506
 86   0     0.8881     1.0000     0.1119     0.9753     0.9240     0.0513
 87   0     0.8826     1.0000     0.1174     0.9775     0.9283     0.0492
 88   0     0.8920     1.0000     0.1080     0.9789     0.9276     0.0513
 89   0     0.8886     1.0000     0.1114     0.9799     0.9276     0.0523
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.911251
                0             6               4            6                0.917610
                0             6               5            1                0.934390
                0             6               6            1                0.947549
                1             6               2            6                0.923357
                1             6               7            1                0.937582
                1             6               8            1                0.935963
                2             6               3            6                0.910214
                2             6               9            1                0.930554
                2             6              10            1                0.940376
                3             6               4            6                0.914719
                3             6              11            1                0.937289
                3             6              12            1                0.937981
                4             6              13            1                0.949040
                4             6              14            1                0.934588
               15             6              16            6                0.912607
               15             6              19            6                0.929373
               15             6              20            1                0.949325
               15             6              21            1                0.940997
               16             6              17            6                0.911164
               16             6              22            1                0.929846
               16             6              23            1                0.937262
               17             6              18            6                0.934062
               17             6              24            1                0.934167
               17             6              25            1                0.925452
               18             6              19            6                0.920806
               18             6              26            1                0.934333
               18             6              27            1                0.927349
               19             6              28            1                0.941106
               19             6              29            1                0.923876
               30             6              31            6                0.918571
               30             6              34            6                0.939692
               30             6              35            1                0.946678
               30             6              36            1                0.922849
               31             6              32            6                0.906147
               31             6              37            1                0.935711
               31             6              38            1                0.941111
               32             6              33            6                0.907330
               32             6              39            1                0.939260
               32             6              40            1                0.933681
               33             6              34            6                0.902332
               33             6              41            1                0.935695
               33             6              42            1                0.934107
               34             6              43            1                0.935663
               34             6              44            1                0.937556
               45             6              46            6                0.910647
               45             6              49            6                0.900164
               45             6              50            1                0.939762
               45             6              51            1                0.941383
               46             6              47            6                0.905504
               46             6              52            1                0.944784
               46             6              53            1                0.933677
               47             6              48            6                0.913037
               47             6              54            1                0.944664
               47             6              55            1                0.934518
               48             6              49            6                0.910110
               48             6              56            1                0.943948
               48             6              57            1                0.941986
               49             6              58            1                0.936336
               49             6              59            1                0.944950
               60             6              61            6                0.920887
               60             6              64            6                0.921020
               60             6              65            1                0.935639
               60             6              66            1                0.942717
               61             6              62            6                0.921383
               61             6              67            1                0.937284
               61             6              68            1                0.929423
               62             6              63            6                0.921461
               62             6              69            1                0.938216
               62             6              70            1                0.934150
               63             6              64            6                0.899158
               63             6              71            1                0.939501
               63             6              72            1                0.947148
               64             6              73            1                0.941830
               64             6              74            1                0.939493
               75             6              76            6                0.908651
               75             6              79            6                0.911413
               75             6              80            1                0.935818
               75             6              81            1                0.948680
               76             6              77            6                0.916216
               76             6              82            1                0.938730
               76             6              83            1                0.930222
               77             6              78            6                0.905629
               77             6              84            1                0.933249
               77             6              85            1                0.939030
               78             6              79            6                0.920454
               78             6              86            1                0.939726
               78             6              87            1                0.938320
               79             6              88            1                0.938194
               79             6              89            1                0.931519
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2289080718
        Correlation Energy:       -5.0547074413
        Total MP2 Energy:      -1176.2836155131
# -----------------------------------------------------------
$ 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) :        0.2501435581
        Electronic Contribution:
                  0    
      0      -0.067101
      1       0.030481
      2       0.876662
        Nuclear Contribution:
                  0    
      0       0.160668
      1      -0.000000
      2      -0.875640
        Total Dipole moment:
                  0    
      0       0.093567
      1       0.030481
      2       0.001022
# -----------------------------------------------------------
$ 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) :        0.2493021073
        Electronic Contribution:
                  0    
      0      -0.067463
      1       0.030540
      2       0.875962
        Nuclear Contribution:
                  0    
      0       0.160668
      1      -0.000000
      2      -0.875640
        Total Dipole moment:
                  0    
      0       0.093205
      1       0.030540
      2       0.000323
# -----------------------------------------------------------
$ 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) :        0.2140232602
        Electronic Contribution:
                  0    
      0      -0.086575
      1       0.039437
      2       0.868944
        Nuclear Contribution:
                  0    
      0       0.160668
      1      -0.000000
      2      -0.875640
        Total Dipole moment:
                  0    
      0       0.074093
      1       0.039437
      2      -0.006696
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     19.120000000000   18.310000000000   12.260000000000
               1 C     18.940000000000   19.470000000000   13.360000000000
               2 C     17.870000000000   20.410000000000   12.820000000000
               3 C     17.510000000000   19.950000000000   11.410000000000
               4 C     18.080000000000   18.550000000000   11.170000000000
               5 H     19.090000000000   17.310000000000   12.620000000000
               6 H     20.080000000000   18.500000000000   11.830000000000
               7 H     19.920000000000   19.850000000000   13.550000000000
               8 H     18.560000000000   18.970000000000   14.270000000000
               9 H     18.210000000000   21.480000000000   12.740000000000
              10 H     16.970000000000   20.400000000000   13.440000000000
              11 H     17.900000000000   20.660000000000   10.630000000000
              12 H     16.400000000000   19.950000000000   11.340000000000
              13 H     18.610000000000   18.590000000000   10.270000000000
              14 H     17.260000000000   17.870000000000   11.070000000000
              15 C     15.840000000000   20.910000000000   16.280000000000
              16 C     15.120000000000   19.520000000000   16.130000000000
              17 C     14.030000000000   19.410000000000   17.220000000000
              18 C     14.620000000000   20.350000000000   18.280000000000
              19 C     15.340000000000   21.560000000000   17.590000000000
              20 H     15.680000000000   21.560000000000   15.470000000000
              21 H     16.920000000000   20.800000000000   16.250000000000
              22 H     15.920000000000   18.710000000000   16.220000000000
              23 H     14.650000000000   19.370000000000   15.150000000000
              24 H     14.000000000000   18.380000000000   17.530000000000
              25 H     13.150000000000   19.790000000000   16.640000000000
              26 H     15.350000000000   19.760000000000   18.840000000000
              27 H     13.820000000000   20.540000000000   19.040000000000
              28 H     16.130000000000   21.780000000000   18.260000000000
              29 H     14.640000000000   22.460000000000   17.500000000000
              30 C     21.920000000000   22.590000000000   18.380000000000
              31 C     21.750000000000   22.740000000000   16.870000000000
              32 C     20.400000000000   22.120000000000   16.440000000000
              33 C     19.670000000000   21.700000000000   17.750000000000
              34 C     20.610000000000   22.160000000000   18.980000000000
              35 H     22.050000000000   23.580000000000   18.730000000000
              36 H     22.820000000000   21.950000000000   18.640000000000
              37 H     22.570000000000   22.330000000000   16.270000000000
              38 H     21.690000000000   23.810000000000   16.540000000000
              39 H     20.590000000000   21.230000000000   15.830000000000
              40 H     19.860000000000   22.890000000000   15.830000000000
              41 H     19.490000000000   20.590000000000   17.730000000000
              42 H     18.640000000000   22.080000000000   17.900000000000
              43 H     20.780000000000   21.320000000000   19.630000000000
              44 H     20.100000000000   23.010000000000   19.460000000000
              45 C     14.580000000000   16.640000000000   12.970000000000
              46 C     13.340000000000   15.790000000000   13.080000000000
              47 C     13.790000000000   14.550000000000   13.990000000000
              48 C     15.280000000000   14.630000000000   14.250000000000
              49 C     15.720000000000   15.960000000000   13.720000000000
              50 H     14.430000000000   17.630000000000   13.430000000000
              51 H     14.850000000000   16.800000000000   11.930000000000
              52 H     13.250000000000   15.320000000000   12.070000000000
              53 H     12.490000000000   16.330000000000   13.420000000000
              54 H     13.580000000000   13.710000000000   13.280000000000
              55 H     13.240000000000   14.420000000000   14.910000000000
              56 H     15.790000000000   13.810000000000   13.830000000000
              57 H     15.490000000000   14.680000000000   15.290000000000
              58 H     16.530000000000   15.760000000000   12.990000000000
              59 H     16.040000000000   16.630000000000   14.490000000000
              60 C     11.400000000000   25.360000000000   20.110000000000
              61 C     11.630000000000   24.160000000000   21.050000000000
              62 C     12.270000000000   23.040000000000   20.210000000000
              63 C     12.790000000000   23.660000000000   18.920000000000
              64 C     12.060000000000   25.050000000000   18.730000000000
              65 H     11.710000000000   26.330000000000   20.490000000000
              66 H     10.330000000000   25.390000000000   19.930000000000
              67 H     10.740000000000   23.870000000000   21.620000000000
              68 H     12.430000000000   24.530000000000   21.780000000000
              69 H     11.420000000000   22.370000000000   20.000000000000
              70 H     13.000000000000   22.450000000000   20.760000000000
              71 H     12.620000000000   23.030000000000   18.080000000000
              72 H     13.810000000000   23.760000000000   19.030000000000
              73 H     11.330000000000   25.050000000000   17.930000000000
              74 H     12.720000000000   25.860000000000   18.420000000000
              75 C     13.360000000000   25.370000000000   13.630000000000
              76 C     14.710000000000   24.830000000000   14.110000000000
              77 C     15.760000000000   25.400000000000   13.030000000000
              78 C     14.960000000000   26.020000000000   11.820000000000
              79 C     13.460000000000   25.880000000000   12.160000000000
              80 H     12.920000000000   26.180000000000   14.250000000000
              81 H     12.600000000000   24.630000000000   13.690000000000
              82 H     14.560000000000   23.750000000000   14.090000000000
              83 H     14.960000000000   25.250000000000   15.110000000000
              84 H     16.460000000000   24.540000000000   12.770000000000
              85 H     16.450000000000   26.110000000000   13.470000000000
              86 H     15.180000000000   25.470000000000   10.900000000000
              87 H     15.290000000000   27.010000000000   11.580000000000
              88 H     13.040000000000   25.110000000000   11.490000000000
              89 H     12.950000000000   26.880000000000   12.100000000000
