-------------------------------------------------------------
----------------------- !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:    -1171.2197156137
# -----------------------------------------------------------
$ 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     6.1598     6.0000    -0.1598     3.8914     3.8914    -0.0000
  1   0     6.1806     6.0000    -0.1806     3.8966     3.8966     0.0000
  2   0     6.1591     6.0000    -0.1591     3.8969     3.8969     0.0000
  3   0     6.1658     6.0000    -0.1658     3.9155     3.9155     0.0000
  4   0     6.1645     6.0000    -0.1645     3.8680     3.8680     0.0000
  5   0     0.9183     1.0000     0.0817     0.9807     0.9807    -0.0000
  6   0     0.9192     1.0000     0.0808     0.9749     0.9749    -0.0000
  7   0     0.9149     1.0000     0.0851     0.9754     0.9754     0.0000
  8   0     0.9119     1.0000     0.0881     0.9748     0.9748     0.0000
  9   0     0.9130     1.0000     0.0870     0.9713     0.9713    -0.0000
 10   0     0.9163     1.0000     0.0837     0.9758     0.9758     0.0000
 11   0     0.9235     1.0000     0.0765     0.9821     0.9821    -0.0000
 12   0     0.9091     1.0000     0.0909     0.9744     0.9744     0.0000
 13   0     0.9135     1.0000     0.0865     0.9737     0.9737    -0.0000
 14   0     0.9292     1.0000     0.0708     0.9786     0.9786    -0.0000
 15   0     6.1340     6.0000    -0.1340     3.9153     3.9153     0.0000
 16   0     6.1286     6.0000    -0.1286     3.9109     3.9109     0.0000
 17   0     6.1418     6.0000    -0.1418     3.8960     3.8960     0.0000
 18   0     6.1946     6.0000    -0.1946     3.8840     3.8840     0.0000
 19   0     6.1831     6.0000    -0.1831     3.9100     3.9100     0.0000
 20   0     0.9247     1.0000     0.0753     0.9734     0.9734     0.0000
 21   0     0.9255     1.0000     0.0745     0.9784     0.9784     0.0000
 22   0     0.9216     1.0000     0.0784     0.9672     0.9672     0.0000
 23   0     0.9306     1.0000     0.0694     0.9786     0.9786     0.0000
 24   0     0.9277     1.0000     0.0723     0.9747     0.9747     0.0000
 25   0     0.9180     1.0000     0.0820     0.9759     0.9759     0.0000
 26   0     0.9137     1.0000     0.0863     0.9685     0.9685     0.0000
 27   0     0.9194     1.0000     0.0806     0.9760     0.9760     0.0000
 28   0     0.9109     1.0000     0.0891     0.9734     0.9734     0.0000
 29   0     0.9188     1.0000     0.0812     0.9746     0.9746     0.0000
 30   0     6.1485     6.0000    -0.1485     3.9102     3.9102     0.0000
 31   0     6.1968     6.0000    -0.1968     3.8942     3.8942     0.0000
 32   0     6.1453     6.0000    -0.1453     3.8693     3.8693    -0.0000
 33   0     6.1398     6.0000    -0.1398     3.8804     3.8804    -0.0000
 34   0     6.1626     6.0000    -0.1626     3.9012     3.9012     0.0000
 35   0     0.9156     1.0000     0.0844     0.9760     0.9760     0.0000
 36   0     0.9150     1.0000     0.0850     0.9790     0.9790     0.0000
 37   0     0.9230     1.0000     0.0770     0.9771     0.9771     0.0000
 38   0     0.9243     1.0000     0.0757     0.9738     0.9738     0.0000
 39   0     0.9072     1.0000     0.0928     0.9722     0.9722     0.0000
 40   0     0.9461     1.0000     0.0539     0.9975     0.9975    -0.0000
 41   0     0.9276     1.0000     0.0724     0.9777     0.9777    -0.0000
 42   0     0.9135     1.0000     0.0865     0.9745     0.9745    -0.0000
 43   0     0.9087     1.0000     0.0913     0.9744     0.9744     0.0000
 44   0     0.9275     1.0000     0.0725     0.9791     0.9791     0.0000
 45   0     6.1208     6.0000    -0.1208     3.8815     3.8815     0.0000
 46   0     6.1796     6.0000    -0.1796     3.8830     3.8830     0.0000
 47   0     6.1826     6.0000    -0.1826     3.8994     3.8994     0.0000
 48   0     6.1577     6.0000    -0.1577     3.8669     3.8669     0.0000
 49   0     6.2031     6.0000    -0.2031     3.9010     3.9010    -0.0000
 50   0     0.9284     1.0000     0.0716     0.9910     0.9910     0.0000
 51   0     0.9029     1.0000     0.0971     0.9767     0.9767     0.0000
 52   0     0.9173     1.0000     0.0827     0.9743     0.9743     0.0000
 53   0     0.9116     1.0000     0.0884     0.9726     0.9726     0.0000
 54   0     0.9098     1.0000     0.0902     0.9760     0.9760     0.0000
 55   0     0.9282     1.0000     0.0718     0.9749     0.9749     0.0000
 56   0     0.9100     1.0000     0.0900     0.9713     0.9713     0.0000
 57   0     0.9233     1.0000     0.0767     0.9741     0.9741    -0.0000
 58   0     0.9134     1.0000     0.0866     0.9772     0.9772    -0.0000
 59   0     0.9109     1.0000     0.0891     0.9713     0.9713     0.0000
 60   0     6.1647     6.0000    -0.1647     3.8838     3.8838     0.0000
 61   0     6.1761     6.0000    -0.1761     3.9153     3.9153    -0.0000
 62   0     6.1414     6.0000    -0.1414     3.8880     3.8880     0.0000
 63   0     6.1928     6.0000    -0.1928     3.9151     3.9151     0.0000
 64   0     6.1228     6.0000    -0.1228     3.8506     3.8506    -0.0000
 65   0     0.9166     1.0000     0.0834     0.9775     0.9775     0.0000
 66   0     0.9231     1.0000     0.0769     0.9713     0.9713    -0.0000
 67   0     0.9015     1.0000     0.0985     0.9786     0.9786    -0.0000
 68   0     0.9178     1.0000     0.0822     0.9766     0.9766     0.0000
 69   0     0.9148     1.0000     0.0852     0.9728     0.9728     0.0000
 70   0     0.9177     1.0000     0.0823     0.9769     0.9769     0.0000
 71   0     0.9131     1.0000     0.0869     0.9731     0.9731     0.0000
 72   0     0.9121     1.0000     0.0879     0.9705     0.9705     0.0000
 73   0     0.9573     1.0000     0.0427     1.0031     1.0031    -0.0000
 74   0     0.9317     1.0000     0.0683     0.9745     0.9745    -0.0000
 75   0     6.1636     6.0000    -0.1636     3.8803     3.8803    -0.0000
 76   0     6.1929     6.0000    -0.1929     3.9190     3.9190     0.0000
 77   0     6.1061     6.0000    -0.1061     3.8951     3.8951     0.0000
 78   0     6.1346     6.0000    -0.1346     3.8609     3.8609    -0.0000
 79   0     6.2178     6.0000    -0.2178     3.9133     3.9133     0.0000
 80   0     0.9123     1.0000     0.0877     0.9745     0.9745    -0.0000
 81   0     0.9131     1.0000     0.0869     0.9731     0.9731    -0.0000
 82   0     0.9150     1.0000     0.0850     0.9721     0.9721    -0.0000
 83   0     0.9100     1.0000     0.0900     0.9731     0.9731     0.0000
 84   0     0.9187     1.0000     0.0813     0.9760     0.9760     0.0000
 85   0     0.9143     1.0000     0.0857     0.9757     0.9757     0.0000
 86   0     0.9291     1.0000     0.0709     0.9740     0.9740     0.0000
 87   0     0.9482     1.0000     0.0518     0.9825     0.9825    -0.0000
 88   0     0.9105     1.0000     0.0895     0.9750     0.9750     0.0000
 89   0     0.9176     1.0000     0.0824     0.9721     0.9721     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                0.978447
                0             6               4            6                0.960797
                0             6               5            1                0.994047
                0             6               6            1                0.986707
                1             6               2            6                0.971492
                1             6               7            1                0.984120
                1             6               8            1                0.989464
                2             6               3            6                0.975965
                2             6               9            1                0.992035
                2             6              10            1                0.992746
                3             6               4            6                0.971904
                3             6              11            1                0.997332
                3             6              12            1                0.984982
                4             6              13            1                0.990628
                4             6              14            1                0.996470
               15             6              16            6                0.973251
               15             6              19            6                0.982762
               15             6              20            1                0.995305
               15             6              21            1                0.983499
               16             6              17            6                0.980853
               16             6              22            1                1.000175
               16             6              23            1                1.001756
               17             6              18            6                0.960571
               17             6              24            1                0.998468
               17             6              25            1                0.992578
               18             6              19            6                0.972081
               18             6              26            1                0.992134
               18             6              27            1                0.998919
               19             6              28            1                0.995188
               19             6              29            1                0.994549
               30             6              31            6                0.968299
               30             6              34            6                0.978321
               30             6              35            1                0.996081
               30             6              36            1                0.991025
               31             6              32            6                0.962369
               31             6              37            1                0.991713
               31             6              38            1                1.002080
               32             6              33            6                0.951613
               32             6              39            1                0.982335
               32             6              40            1                1.009280
               33             6              34            6                0.966983
               33             6              41            1                0.993638
               33             6              42            1                0.997970
               34             6              43            1                0.988263
               34             6              44            1                1.001903
               45             6              46            6                0.967682
               45             6              49            6                0.968413
               45             6              50            1                0.994437
               45             6              51            1                0.987716
               46             6              47            6                0.971028
               46             6              52            1                0.987223
               46             6              53            1                0.987547
               47             6              48            6                0.965894
               47             6              54            1                0.990096
               47             6              55            1                0.997981
               48             6              49            6                0.959443
               48             6              56            1                0.988125
               48             6              57            1                0.997983
               49             6              58            1                0.994445
               49             6              59            1                0.991862
               60             6              61            6                0.968423
               60             6              64            6                0.960487
               60             6              65            1                0.994678
               60             6              66            1                0.992919
               61             6              62            6                0.978469
               61             6              67            1                0.986252
               61             6              68            1                0.995733
               62             6              63            6                0.969176
               62             6              69            1                0.982343
               62             6              70            1                0.993436
               63             6              64            6                0.958404
               63             6              71            1                0.996557
               63             6              72            1                0.995766
               64             6              73            1                0.999054
               64             6              74            1                0.997255
               75             6              76            6                0.967944
               75             6              79            6                0.972255
               75             6              80            1                0.993533
               75             6              81            1                0.991971
               76             6              77            6                0.987968
               76             6              82            1                0.990821
               76             6              83            1                0.990181
               77             6              78            6                0.947527
               77             6              84            1                0.992160
               77             6              85            1                0.996852
               78             6              79            6                0.971620
               78             6              86            1                0.990152
               78             6              87            1                0.994931
               79             6              88            1                0.992377
               79             6              89            1                0.991116
# -----------------------------------------------------------
$ 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     6.1670     6.0000    -0.1670     3.9993     3.6787     0.3206
  1   0     6.1881     6.0000    -0.1881     4.0076     3.6880     0.3196
  2   0     6.1676     6.0000    -0.1676     4.0077     3.6806     0.3271
  3   0     6.1729     6.0000    -0.1729     4.0218     3.7064     0.3154
  4   0     6.1726     6.0000    -0.1726     3.9798     3.6541     0.3257
  5   0     0.9144     1.0000     0.0856     0.9901     0.9382     0.0519
  6   0     0.9155     1.0000     0.0845     0.9845     0.9307     0.0538
  7   0     0.9109     1.0000     0.0891     0.9847     0.9306     0.0541
  8   0     0.9078     1.0000     0.0922     0.9838     0.9324     0.0514
  9   0     0.9092     1.0000     0.0908     0.9806     0.9245     0.0561
 10   0     0.9125     1.0000     0.0875     0.9852     0.9319     0.0533
 11   0     0.9198     1.0000     0.0802     0.9917     0.9426     0.0491
 12   0     0.9053     1.0000     0.0947     0.9835     0.9337     0.0498
 13   0     0.9096     1.0000     0.0904     0.9831     0.9308     0.0523
 14   0     0.9253     1.0000     0.0747     0.9885     0.9348     0.0537
 15   0     6.1440     6.0000    -0.1440     4.0259     3.7059     0.3200
 16   0     6.1360     6.0000    -0.1360     4.0148     3.7085     0.3063
 17   0     6.1510     6.0000    -0.1510     4.0052     3.6893     0.3159
 18   0     6.2019     6.0000    -0.2019     3.9944     3.6777     0.3167
 19   0     6.1902     6.0000    -0.1902     4.0184     3.7004     0.3180
 20   0     0.9207     1.0000     0.0793     0.9828     0.9310     0.0518
 21   0     0.9211     1.0000     0.0789     0.9877     0.9354     0.0523
 22   0     0.9173     1.0000     0.0827     0.9767     0.9253     0.0514
 23   0     0.9267     1.0000     0.0733     0.9887     0.9387     0.0500
 24   0     0.9236     1.0000     0.0764     0.9841     0.9320     0.0521
 25   0     0.9143     1.0000     0.0857     0.9854     0.9332     0.0522
 26   0     0.9097     1.0000     0.0903     0.9779     0.9249     0.0530
 27   0     0.9154     1.0000     0.0846     0.9853     0.9334     0.0519
 28   0     0.9070     1.0000     0.0930     0.9826     0.9310     0.0516
 29   0     0.9148     1.0000     0.0852     0.9840     0.9319     0.0521
 30   0     6.1566     6.0000    -0.1566     4.0187     3.6975     0.3212
 31   0     6.2040     6.0000    -0.2040     4.0038     3.6839     0.3199
 32   0     6.1520     6.0000    -0.1520     3.9768     3.6605     0.3163
 33   0     6.1480     6.0000    -0.1480     3.9883     3.6737     0.3146
 34   0     6.1698     6.0000    -0.1698     4.0086     3.6895     0.3191
 35   0     0.9117     1.0000     0.0883     0.9852     0.9343     0.0509
 36   0     0.9113     1.0000     0.0887     0.9884     0.9371     0.0513
 37   0     0.9192     1.0000     0.0808     0.9868     0.9349     0.0519
 38   0     0.9204     1.0000     0.0796     0.9833     0.9299     0.0534
 39   0     0.9036     1.0000     0.0964     0.9817     0.9300     0.0517
 40   0     0.9424     1.0000     0.0576     1.0082     0.9562     0.0520
 41   0     0.9239     1.0000     0.0761     0.9876     0.9333     0.0543
 42   0     0.9096     1.0000     0.0904     0.9835     0.9350     0.0485
 43   0     0.9050     1.0000     0.0950     0.9836     0.9327     0.0509
 44   0     0.9237     1.0000     0.0763     0.9890     0.9375     0.0515
 45   0     6.1280     6.0000    -0.1280     3.9877     3.6719     0.3158
 46   0     6.1879     6.0000    -0.1879     3.9955     3.6653     0.3302
 47   0     6.1898     6.0000    -0.1898     4.0092     3.6879     0.3213
 48   0     6.1655     6.0000    -0.1655     3.9766     3.6570     0.3196
 49   0     6.2105     6.0000    -0.2105     4.0121     3.6861     0.3260
 50   0     0.9249     1.0000     0.0751     1.0011     0.9507     0.0504
 51   0     0.8989     1.0000     0.1011     0.9854     0.9372     0.0482
 52   0     0.9134     1.0000     0.0866     0.9840     0.9304     0.0536
 53   0     0.9078     1.0000     0.0922     0.9819     0.9279     0.0540
 54   0     0.9059     1.0000     0.0941     0.9851     0.9335     0.0516
 55   0     0.9244     1.0000     0.0756     0.9849     0.9313     0.0536
 56   0     0.9063     1.0000     0.0937     0.9806     0.9277     0.0529
 57   0     0.9195     1.0000     0.0805     0.9837     0.9309     0.0528
 58   0     0.9098     1.0000     0.0902     0.9867     0.9346     0.0521
 59   0     0.9071     1.0000     0.0929     0.9805     0.9271     0.0534
 60   0     6.1724     6.0000    -0.1724     3.9939     3.6723     0.3216
 61   0     6.1834     6.0000    -0.1834     4.0245     3.7021     0.3224
 62   0     6.1491     6.0000    -0.1491     3.9968     3.6763     0.3205
 63   0     6.2008     6.0000    -0.2008     4.0257     3.7039     0.3218
 64   0     6.1308     6.0000    -0.1308     3.9581     3.6405     0.3176
 65   0     0.9125     1.0000     0.0875     0.9867     0.9362     0.0505
 66   0     0.9195     1.0000     0.0805     0.9816     0.9266     0.0550
 67   0     0.8977     1.0000     0.1023     0.9874     0.9373     0.0501
 68   0     0.9140     1.0000     0.0860     0.9863     0.9353     0.0510
 69   0     0.9113     1.0000     0.0887     0.9827     0.9276     0.0551
 70   0     0.9135     1.0000     0.0865     0.9861     0.9360     0.0501
 71   0     0.9094     1.0000     0.0906     0.9824     0.9311     0.0513
 72   0     0.9080     1.0000     0.0920     0.9797     0.9288     0.0509
 73   0     0.9532     1.0000     0.0468     1.0135     0.9597     0.0538
 74   0     0.9277     1.0000     0.0723     0.9844     0.9301     0.0543
 75   0     6.1712     6.0000    -0.1712     3.9908     3.6624     0.3284
 76   0     6.2005     6.0000    -0.2005     4.0282     3.7030     0.3252
 77   0     6.1141     6.0000    -0.1141     3.9999     3.6893     0.3106
 78   0     6.1415     6.0000    -0.1415     3.9681     3.6537     0.3144
 79   0     6.2250     6.0000    -0.2250     4.0251     3.6961     0.3290
 80   0     0.9086     1.0000     0.0914     0.9840     0.9311     0.0529
 81   0     0.9094     1.0000     0.0906     0.9825     0.9278     0.0547
 82   0     0.9113     1.0000     0.0887     0.9815     0.9259     0.0556
 83   0     0.9063     1.0000     0.0937     0.9822     0.9282     0.0540
 84   0     0.9148     1.0000     0.0852     0.9854     0.9334     0.0520
 85   0     0.9105     1.0000     0.0895     0.9851     0.9354     0.0497
 86   0     0.9251     1.0000     0.0749     0.9841     0.9321     0.0520
 87   0     0.9445     1.0000     0.0555     0.9935     0.9396     0.0539
 88   0     0.9068     1.0000     0.0932     0.9842     0.9327     0.0515
 89   0     0.9138     1.0000     0.0862     0.9816     0.9258     0.0558
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.918447
                0             6               4            6                0.895994
                0             6               5            1                0.953006
                0             6               6            1                0.944056
                1             6               2            6                0.911366
                1             6               7            1                0.940997
                1             6               8            1                0.948274
                2             6               3            6                0.911037
                2             6               9            1                0.946588
                2             6              10            1                0.950073
                3             6               4            6                0.909354
                3             6              11            1                0.958966
                3             6              12            1                0.945690
                4             6              13            1                0.949236
                4             6              14            1                0.953788
               15             6              16            6                0.914498
               15             6              19            6                0.919096
               15             6              20            1                0.953768
               15             6              21            1                0.941911
               16             6              17            6                0.919636
               16             6              22            1                0.958726
               16             6              23            1                0.962992
               17             6              18            6                0.901210
               17             6              24            1                0.956831
               17             6              25            1                0.951242
               18             6              19            6                0.911741
               18             6              26            1                0.949625
               18             6              27            1                0.957347
               19             6              28            1                0.953797
               19             6              29            1                0.952950
               30             6              31            6                0.907153
               30             6              34            6                0.911261
               30             6              35            1                0.955512
               30             6              36            1                0.950495
               31             6              32            6                0.899894
               31             6              37            1                0.950859
               31             6              38            1                0.959057
               32             6              33            6                0.890184
               32             6              39            1                0.941323
               32             6              40            1                0.968695
               33             6              34            6                0.906617
               33             6              41            1                0.950483
               33             6              42            1                0.959649
               34             6              43            1                0.948001
               34             6              44            1                0.961219
               45             6              46            6                0.903366
               45             6              49            6                0.903713
               45             6              50            1                0.955380
               45             6              51            1                0.949706
               46             6              47            6                0.906748
               46             6              52            1                0.944671
               46             6              53            1                0.944395
               47             6              48            6                0.905812
               47             6              54            1                0.949077
               47             6              55            1                0.955386
               48             6              49            6                0.897146
               48             6              56            1                0.946019
               48             6              57            1                0.955846
               49             6              58            1                0.953111
               49             6              59            1                0.948964
               60             6              61            6                0.902227
               60             6              64            6                0.901941
               60             6              65            1                0.954810
               60             6              66            1                0.949424
               61             6              62            6                0.915864
               61             6              67            1                0.946530
               61             6              68            1                0.955614
               62             6              63            6                0.906968
               62             6              69            1                0.938716
               62             6              70            1                0.953819
               63             6              64            6                0.894761
               63             6              71            1                0.955622
               63             6              72            1                0.955170
               64             6              73            1                0.957075
               64             6              74            1                0.953784
               75             6              76            6                0.905366
               75             6              79            6                0.905805
               75             6              80            1                0.951291
               75             6              81            1                0.948015
               76             6              77            6                0.926691
               76             6              82            1                0.945922
               76             6              83            1                0.946758
               77             6              78            6                0.887064
               77             6              84            1                0.950739
               77             6              85            1                0.957546
               78             6              79            6                0.910500
               78             6              86            1                0.949167
               78             6              87            1                0.953040
               79             6              88            1                0.951275
               79             6              89            1                0.946002
# -----------------------------------------------------------
$ 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     6.2145     6.0000    -0.2145     3.9872     3.6709     0.3163
  1   0     6.2394     6.0000    -0.2394     4.0075     3.6924     0.3151
  2   0     6.2102     6.0000    -0.2102     3.9978     3.6752     0.3226
  3   0     6.2233     6.0000    -0.2233     4.0070     3.6953     0.3117
  4   0     6.2189     6.0000    -0.2189     3.9659     3.6444     0.3215
  5   0     0.8902     1.0000     0.1098     0.9829     0.9321     0.0508
  6   0     0.8930     1.0000     0.1070     0.9767     0.9238     0.0529
  7   0     0.8865     1.0000     0.1135     0.9762     0.9233     0.0529
  8   0     0.8823     1.0000     0.1177     0.9752     0.9250     0.0502
  9   0     0.8879     1.0000     0.1121     0.9733     0.9181     0.0552
 10   0     0.8892     1.0000     0.1108     0.9765     0.9242     0.0523
 11   0     0.8937     1.0000     0.1063     0.9807     0.9326     0.0481
 12   0     0.8833     1.0000     0.1167     0.9757     0.9268     0.0489
 13   0     0.8859     1.0000     0.1141     0.9756     0.9244     0.0512
 14   0     0.8999     1.0000     0.1001     0.9800     0.9273     0.0527
 15   0     6.2062     6.0000    -0.2062     4.0129     3.6971     0.3158
 16   0     6.1975     6.0000    -0.1975     3.9880     3.6856     0.3024
 17   0     6.2055     6.0000    -0.2055     3.9775     3.6656     0.3119
 18   0     6.2549     6.0000    -0.2549     3.9867     3.6743     0.3124
 19   0     6.2332     6.0000    -0.2332     3.9884     3.6746     0.3138
 20   0     0.8918     1.0000     0.1082     0.9785     0.9280     0.0505
 21   0     0.8969     1.0000     0.1031     0.9840     0.9329     0.0511
 22   0     0.8900     1.0000     0.1100     0.9694     0.9192     0.0502
 23   0     0.8973     1.0000     0.1027     0.9851     0.9364     0.0487
 24   0     0.8956     1.0000     0.1044     0.9757     0.9248     0.0509
 25   0     0.8894     1.0000     0.1106     0.9799     0.9288     0.0511
 26   0     0.8824     1.0000     0.1176     0.9709     0.9192     0.0517
 27   0     0.8869     1.0000     0.1131     0.9767     0.9260     0.0507
 28   0     0.8814     1.0000     0.1186     0.9762     0.9258     0.0504
 29   0     0.8878     1.0000     0.1122     0.9766     0.9258     0.0508
 30   0     6.2072     6.0000    -0.2072     3.9979     3.6806     0.3173
 31   0     6.2530     6.0000    -0.2530     3.9894     3.6738     0.3156
 32   0     6.2063     6.0000    -0.2063     3.9613     3.6490     0.3123
 33   0     6.2070     6.0000    -0.2070     3.9765     3.6659     0.3106
 34   0     6.2195     6.0000    -0.2195     3.9900     3.6747     0.3153
 35   0     0.8877     1.0000     0.1123     0.9773     0.9274     0.0499
 36   0     0.8872     1.0000     0.1128     0.9807     0.9304     0.0503
 37   0     0.8930     1.0000     0.1070     0.9801     0.9294     0.0507
 38   0     0.8923     1.0000     0.1077     0.9759     0.9237     0.0522
 39   0     0.8796     1.0000     0.1204     0.9761     0.9255     0.0506
 40   0     0.9111     1.0000     0.0889     0.9954     0.9448     0.0506
 41   0     0.8962     1.0000     0.1038     0.9777     0.9245     0.0532
 42   0     0.8839     1.0000     0.1161     0.9773     0.9298     0.0475
 43   0     0.8819     1.0000     0.1181     0.9767     0.9268     0.0499
 44   0     0.8961     1.0000     0.1039     0.9792     0.9288     0.0504
 45   0     6.1913     6.0000    -0.1913     3.9865     3.6744     0.3121
 46   0     6.2291     6.0000    -0.2291     3.9800     3.6541     0.3259
 47   0     6.2364     6.0000    -0.2364     3.9912     3.6742     0.3170
 48   0     6.2196     6.0000    -0.2196     3.9705     3.6550     0.3155
 49   0     6.2481     6.0000    -0.2481     3.9905     3.6686     0.3219
 50   0     0.8955     1.0000     0.1045     0.9924     0.9432     0.0492
 51   0     0.8785     1.0000     0.1215     0.9780     0.9308     0.0472
 52   0     0.8912     1.0000     0.1088     0.9763     0.9237     0.0526
 53   0     0.8847     1.0000     0.1153     0.9750     0.9221     0.0529
 54   0     0.8816     1.0000     0.1184     0.9759     0.9254     0.0505
 55   0     0.8974     1.0000     0.1026     0.9765     0.9241     0.0524
 56   0     0.8828     1.0000     0.1172     0.9724     0.9205     0.0519
 57   0     0.8923     1.0000     0.1077     0.9740     0.9223     0.0517
 58   0     0.8857     1.0000     0.1143     0.9772     0.9261     0.0511
 59   0     0.8846     1.0000     0.1154     0.9733     0.9209     0.0524
 60   0     6.2167     6.0000    -0.2167     3.9766     3.6593     0.3173
 61   0     6.2313     6.0000    -0.2313     4.0078     3.6893     0.3185
 62   0     6.2010     6.0000    -0.2010     3.9932     3.6769     0.3163
 63   0     6.2431     6.0000    -0.2431     3.9932     3.6755     0.3177
 64   0     6.1983     6.0000    -0.1983     3.9493     3.6360     0.3133
 65   0     0.8880     1.0000     0.1120     0.9779     0.9285     0.0494
 66   0     0.8959     1.0000     0.1041     0.9772     0.9233     0.0539
 67   0     0.8762     1.0000     0.1238     0.9793     0.9301     0.0492
 68   0     0.8893     1.0000     0.1107     0.9765     0.9265     0.0500
 69   0     0.8889     1.0000     0.1111     0.9798     0.9258     0.0540
 70   0     0.8902     1.0000     0.1098     0.9774     0.9284     0.0490
 71   0     0.8856     1.0000     0.1144     0.9766     0.9264     0.0502
 72   0     0.8847     1.0000     0.1153     0.9717     0.9219     0.0498
 73   0     0.9096     1.0000     0.0904     1.0014     0.9493     0.0521
 74   0     0.9016     1.0000     0.0984     0.9750     0.9218     0.0532
 75   0     6.2246     6.0000    -0.2246     3.9783     3.6539     0.3244
 76   0     6.2432     6.0000    -0.2432     4.0150     3.6944     0.3206
 77   0     6.1739     6.0000    -0.1739     3.9834     3.6766     0.3068
 78   0     6.2005     6.0000    -0.2005     3.9613     3.6511     0.3102
 79   0     6.2632     6.0000    -0.2632     4.0013     3.6771     0.3242
 80   0     0.8833     1.0000     0.1167     0.9744     0.9226     0.0518
 81   0     0.8847     1.0000     0.1153     0.9742     0.9206     0.0536
 82   0     0.8870     1.0000     0.1130     0.9730     0.9184     0.0546
 83   0     0.8825     1.0000     0.1175     0.9745     0.9216     0.0529
 84   0     0.8896     1.0000     0.1104     0.9776     0.9267     0.0509
 85   0     0.8856     1.0000     0.1144     0.9788     0.9302     0.0486
 86   0     0.9005     1.0000     0.0995     0.9808     0.9300     0.0508
 87   0     0.9131     1.0000     0.0869     0.9872     0.9347     0.0525
 88   0     0.8826     1.0000     0.1174     0.9768     0.9264     0.0504
 89   0     0.8897     1.0000     0.1103     0.9751     0.9203     0.0548
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.930081
                0             6               4            6                0.906567
                0             6               5            1                0.939740
                0             6               6            1                0.928594
                1             6               2            6                0.931590
                1             6               7            1                0.926244
                1             6               8            1                0.933021
                2             6               3            6                0.918234
                2             6               9            1                0.929652
                2             6              10            1                0.934840
                3             6               4            6                0.918022
                3             6              11            1                0.946874
                3             6              12            1                0.933745
                4             6              13            1                0.936718
                4             6              14            1                0.939878
               15             6              16            6                0.923165
               15             6              19            6                0.921623
               15             6              20            1                0.942771
               15             6              21            1                0.927357
               16             6              17            6                0.920339
               16             6              22            1                0.945063
               16             6              23            1                0.950071
               17             6              18            6                0.910618
               17             6              24            1                0.943758
               17             6              25            1                0.933876
               18             6              19            6                0.919693
               18             6              26            1                0.935809
               18             6              27            1                0.943281
               19             6              28            1                0.939854
               19             6              29            1                0.939426
               30             6              31            6                0.916166
               30             6              34            6                0.913098
               30             6              35            1                0.942883
               30             6              36            1                0.938680
               31             6              32            6                0.906627
               31             6              37            1                0.937003
               31             6              38            1                0.947131
               32             6              33            6                0.900261
               32             6              39            1                0.929935
               32             6              40            1                0.956663
               33             6              34            6                0.915861
               33             6              41            1                0.933831
               33             6              42            1                0.950353
               34             6              43            1                0.936881
               34             6              44            1                0.949131
               45             6              46            6                0.914275
               45             6              49            6                0.911801
               45             6              50            1                0.946280
               45             6              51            1                0.938311
               46             6              47            6                0.914149
               46             6              52            1                0.931860
               46             6              53            1                0.931635
               47             6              48            6                0.918351
               47             6              54            1                0.934356
               47             6              55            1                0.942016
               48             6              49            6                0.907749
               48             6              56            1                0.931548
               48             6              57            1                0.942535
               49             6              58            1                0.939399
               49             6              59            1                0.935941
               60             6              61            6                0.907186
               60             6              64            6                0.918250
               60             6              65            1                0.942480
               60             6              66            1                0.934771
               61             6              62            6                0.926699
               61             6              67            1                0.933840
               61             6              68            1                0.942954
               62             6              63            6                0.919814
               62             6              69            1                0.924468
               62             6              70            1                0.941443
               63             6              64            6                0.894366
               63             6              71            1                0.941481
               63             6              72            1                0.942500
               64             6              73            1                0.945262
               64             6              74            1                0.938521
               75             6              76            6                0.917969
               75             6              79            6                0.911919
               75             6              80            1                0.937392
               75             6              81            1                0.933965
               76             6              77            6                0.936153
               76             6              82            1                0.930860
               76             6              83            1                0.932767
               77             6              78            6                0.896627
               77             6              84            1                0.936999
               77             6              85            1                0.946475
               78             6              79            6                0.917906
               78             6              86            1                0.936061
               78             6              87            1                0.944007
               79             6              88            1                0.939668
               79             6              89            1                0.932066
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2197156137
        Correlation Energy:       -5.0572684641
        Total MP2 Energy:      -1176.2769840778
# -----------------------------------------------------------
$ 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) :        0.3364595236
        Electronic Contribution:
                  0    
      0      -0.223962
      1       0.107151
      2       0.008875
        Nuclear Contribution:
                  0    
      0       0.128534
      1      -0.128534
      2       0.080334
        Total Dipole moment:
                  0    
      0      -0.095428
      1      -0.021383
      2       0.089209
# -----------------------------------------------------------
$ 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) :        0.3377350313
        Electronic Contribution:
                  0    
      0      -0.224073
      1       0.106276
      2       0.009287
        Nuclear Contribution:
                  0    
      0       0.128534
      1      -0.128534
      2       0.080334
        Total Dipole moment:
                  0    
      0      -0.095539
      1      -0.022259
      2       0.089621
# -----------------------------------------------------------
$ 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) :        0.2824295825
        Electronic Contribution:
                  0    
      0      -0.200846
      1       0.096323
      2      -0.002361
        Nuclear Contribution:
                  0    
      0       0.128534
      1      -0.128534
      2       0.080334
        Total Dipole moment:
                  0    
      0      -0.072312
      1      -0.032211
      2       0.077973
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     14.970000000000   19.970000000000   16.230000000000
               1 C     16.200000000000   19.460000000000   16.920000000000
               2 C     16.360000000000   20.220000000000   18.220000000000
               3 C     14.960000000000   20.780000000000   18.660000000000
               4 C     14.090000000000   20.430000000000   17.440000000000
               5 H     14.390000000000   19.230000000000   15.680000000000
               6 H     15.060000000000   20.890000000000   15.590000000000
               7 H     17.120000000000   19.570000000000   16.280000000000
               8 H     16.070000000000   18.380000000000   16.970000000000
               9 H     17.160000000000   21.060000000000   18.080000000000
              10 H     16.730000000000   19.610000000000   19.070000000000
              11 H     15.030000000000   21.810000000000   18.780000000000
              12 H     14.630000000000   20.400000000000   19.610000000000
              13 H     13.440000000000   21.300000000000   17.270000000000
              14 H     13.440000000000   19.560000000000   17.650000000000
              15 C     16.140000000000   16.340000000000   14.740000000000
              16 C     15.670000000000   15.390000000000   13.730000000000
              17 C     16.620000000000   15.250000000000   12.580000000000
              18 C     17.760000000000   16.160000000000   12.860000000000
              19 C     17.480000000000   16.840000000000   14.170000000000
              20 H     16.360000000000   15.810000000000   15.660000000000
              21 H     15.380000000000   17.140000000000   14.870000000000
              22 H     14.790000000000   15.750000000000   13.230000000000
              23 H     15.370000000000   14.490000000000   14.140000000000
              24 H     16.110000000000   15.580000000000   11.680000000000
              25 H     16.950000000000   14.240000000000   12.320000000000
              26 H     17.960000000000   16.910000000000   12.070000000000
              27 H     18.640000000000   15.530000000000   12.840000000000
              28 H     17.400000000000   17.920000000000   14.120000000000
              29 H     18.290000000000   16.630000000000   14.860000000000
              30 C     20.100000000000   16.080000000000    6.870000000000
              31 C     20.630000000000   16.710000000000    8.150000000000
              32 C     19.480000000000   17.480000000000    8.800000000000
              33 C     18.170000000000   17.270000000000    8.000000000000
              34 C     18.530000000000   16.480000000000    6.780000000000
              35 H     20.230000000000   15.010000000000    6.930000000000
              36 H     20.630000000000   16.410000000000    5.980000000000
              37 H     21.510000000000   17.300000000000    7.940000000000
              38 H     20.970000000000   15.950000000000    8.880000000000
              39 H     19.750000000000   18.520000000000    8.980000000000
              40 H     19.430000000000   17.010000000000    9.730000000000
              41 H     17.730000000000   18.240000000000    7.650000000000
              42 H     17.420000000000   16.850000000000    8.590000000000
              43 H     18.230000000000   16.920000000000    5.830000000000
              44 H     17.910000000000   15.630000000000    6.890000000000
              45 C     12.660000000000   12.250000000000   13.810000000000
              46 C     13.250000000000   11.460000000000   15.020000000000
              47 C     14.290000000000   10.450000000000   14.420000000000
              48 C     13.990000000000   10.250000000000   12.950000000000
              49 C     13.030000000000   11.380000000000   12.530000000000
              50 H     13.190000000000   13.150000000000   13.780000000000
              51 H     11.620000000000   12.420000000000   13.920000000000
              52 H     12.420000000000   10.880000000000   15.510000000000
              53 H     13.730000000000   12.180000000000   15.750000000000
              54 H     14.330000000000    9.580000000000   15.080000000000
              55 H     15.310000000000   10.840000000000   14.500000000000
              56 H     13.680000000000    9.210000000000   12.690000000000
              57 H     14.900000000000   10.330000000000   12.350000000000
              58 H     12.180000000000   10.880000000000   12.070000000000
              59 H     13.490000000000   11.980000000000   11.700000000000
              60 C     22.260000000000   17.040000000000   12.200000000000
              61 C     23.300000000000   17.790000000000   11.230000000000
              62 C     22.490000000000   19.010000000000   10.740000000000
              63 C     21.350000000000   19.240000000000   11.750000000000
              64 C     21.250000000000   18.000000000000   12.660000000000
              65 H     22.670000000000   16.600000000000   13.080000000000
              66 H     21.700000000000   16.210000000000   11.700000000000
              67 H     23.770000000000   17.150000000000   10.490000000000
              68 H     24.110000000000   18.080000000000   11.860000000000
              69 H     22.250000000000   18.800000000000    9.650000000000
              70 H     23.020000000000   19.930000000000   10.790000000000
              71 H     20.360000000000   19.380000000000   11.360000000000
              72 H     21.530000000000   20.120000000000   12.360000000000
              73 H     20.220000000000   17.640000000000   12.690000000000
              74 H     21.440000000000   18.360000000000   13.700000000000
              75 C     19.660000000000   11.640000000000   15.720000000000
              76 C     18.980000000000   11.310000000000   17.070000000000
              77 C     17.770000000000   12.220000000000   17.160000000000
              78 C     17.690000000000   13.140000000000   15.950000000000
              79 C     18.820000000000   12.800000000000   15.010000000000
              80 H     19.740000000000   10.750000000000   15.080000000000
              81 H     20.750000000000   11.940000000000   15.800000000000
              82 H     19.720000000000   11.470000000000   17.940000000000
              83 H     18.700000000000   10.220000000000   17.200000000000
              84 H     17.840000000000   12.830000000000   18.070000000000
              85 H     16.860000000000   11.690000000000   17.160000000000
              86 H     17.700000000000   14.190000000000   16.180000000000
              87 H     16.770000000000   13.000000000000   15.410000000000
              88 H     19.520000000000   13.600000000000   14.810000000000
              89 H     18.410000000000   12.460000000000   13.990000000000
