-------------------------------------------------------------
----------------------- !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:    -1171.1942925570
# -----------------------------------------------------------
$ 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     6.1369     6.0000    -0.1369     3.9062     3.9062    -0.0000
  1   0     6.1283     6.0000    -0.1283     3.9192     3.9192    -0.0000
  2   0     6.1593     6.0000    -0.1593     3.8833     3.8833    -0.0000
  3   0     6.1713     6.0000    -0.1713     3.8715     3.8715    -0.0000
  4   0     6.2212     6.0000    -0.2212     3.8872     3.8872    -0.0000
  5   0     0.9160     1.0000     0.0840     0.9769     0.9769     0.0000
  6   0     0.9153     1.0000     0.0847     0.9811     0.9811    -0.0000
  7   0     0.9134     1.0000     0.0866     0.9826     0.9826    -0.0000
  8   0     0.9183     1.0000     0.0817     0.9750     0.9750    -0.0000
  9   0     0.9608     1.0000     0.0392     0.9814     0.9814    -0.0000
 10   0     0.9068     1.0000     0.0932     0.9724     0.9724    -0.0000
 11   0     0.9156     1.0000     0.0844     0.9775     0.9775    -0.0000
 12   0     0.9079     1.0000     0.0921     0.9725     0.9725    -0.0000
 13   0     0.9063     1.0000     0.0937     0.9744     0.9744     0.0000
 14   0     0.9257     1.0000     0.0743     0.9862     0.9862    -0.0000
 15   0     6.1960     6.0000    -0.1960     3.8650     3.8650    -0.0000
 16   0     6.1188     6.0000    -0.1188     3.9099     3.9099    -0.0000
 17   0     6.2076     6.0000    -0.2076     3.8914     3.8914     0.0000
 18   0     6.1279     6.0000    -0.1279     3.8680     3.8680     0.0000
 19   0     6.1912     6.0000    -0.1912     3.9245     3.9245     0.0000
 20   0     0.9073     1.0000     0.0927     0.9667     0.9667    -0.0000
 21   0     0.9156     1.0000     0.0844     0.9720     0.9720     0.0000
 22   0     0.9183     1.0000     0.0817     0.9796     0.9796    -0.0000
 23   0     0.9101     1.0000     0.0899     0.9757     0.9757    -0.0000
 24   0     0.9154     1.0000     0.0846     0.9730     0.9730    -0.0000
 25   0     0.9137     1.0000     0.0863     0.9741     0.9741     0.0000
 26   0     0.9108     1.0000     0.0892     0.9758     0.9758     0.0000
 27   0     0.9316     1.0000     0.0684     0.9798     0.9798     0.0000
 28   0     0.9039     1.0000     0.0961     0.9771     0.9771     0.0000
 29   0     0.9256     1.0000     0.0744     0.9705     0.9705    -0.0000
 30   0     6.1568     6.0000    -0.1568     3.8839     3.8839    -0.0000
 31   0     6.1142     6.0000    -0.1142     3.8486     3.8486    -0.0000
 32   0     6.1929     6.0000    -0.1929     3.9161     3.9161    -0.0000
 33   0     6.1332     6.0000    -0.1332     3.8897     3.8897     0.0000
 34   0     6.1903     6.0000    -0.1903     3.9325     3.9325    -0.0000
 35   0     0.9228     1.0000     0.0772     0.9727     0.9727    -0.0000
 36   0     0.9154     1.0000     0.0846     0.9741     0.9741    -0.0000
 37   0     0.9944     1.0000     0.0056     1.0105     1.0105    -0.0000
 38   0     0.9265     1.0000     0.0735     0.9825     0.9825    -0.0000
 39   0     0.9242     1.0000     0.0758     0.9842     0.9842    -0.0000
 40   0     0.9182     1.0000     0.0818     0.9780     0.9780    -0.0000
 41   0     0.9184     1.0000     0.0816     0.9779     0.9779    -0.0000
 42   0     0.8968     1.0000     0.1032     0.9755     0.9755     0.0000
 43   0     0.9039     1.0000     0.0961     0.9766     0.9766     0.0000
 44   0     0.9084     1.0000     0.0916     0.9769     0.9769    -0.0000
 45   0     6.1535     6.0000    -0.1535     3.9161     3.9161    -0.0000
 46   0     6.1924     6.0000    -0.1924     3.8631     3.8631    -0.0000
 47   0     6.1435     6.0000    -0.1435     3.8682     3.8682    -0.0000
 48   0     6.1911     6.0000    -0.1911     3.8925     3.8925    -0.0000
 49   0     6.1571     6.0000    -0.1571     3.8919     3.8919    -0.0000
 50   0     0.9102     1.0000     0.0898     0.9718     0.9718    -0.0000
 51   0     0.9190     1.0000     0.0810     0.9810     0.9810     0.0000
 52   0     0.9083     1.0000     0.0917     0.9670     0.9670    -0.0000
 53   0     0.9158     1.0000     0.0842     0.9687     0.9687    -0.0000
 54   0     0.9172     1.0000     0.0828     0.9738     0.9738    -0.0000
 55   0     0.9060     1.0000     0.0940     0.9739     0.9739    -0.0000
 56   0     0.9160     1.0000     0.0840     0.9724     0.9724    -0.0000
 57   0     0.9242     1.0000     0.0758     0.9713     0.9713    -0.0000
 58   0     0.9211     1.0000     0.0789     0.9779     0.9779    -0.0000
 59   0     0.9124     1.0000     0.0876     0.9727     0.9727    -0.0000
 60   0     6.1858     6.0000    -0.1858     3.9033     3.9033     0.0000
 61   0     6.1457     6.0000    -0.1457     3.9037     3.9037    -0.0000
 62   0     6.1464     6.0000    -0.1464     3.9061     3.9061     0.0000
 63   0     6.1861     6.0000    -0.1861     3.8843     3.8843     0.0000
 64   0     6.1250     6.0000    -0.1250     3.8533     3.8533    -0.0000
 65   0     0.9147     1.0000     0.0853     0.9745     0.9745     0.0000
 66   0     0.9150     1.0000     0.0850     0.9751     0.9751     0.0000
 67   0     0.9108     1.0000     0.0892     0.9754     0.9754    -0.0000
 68   0     0.9215     1.0000     0.0785     0.9794     0.9794    -0.0000
 69   0     0.9227     1.0000     0.0773     0.9796     0.9796     0.0000
 70   0     0.9164     1.0000     0.0836     0.9761     0.9761     0.0000
 71   0     0.9187     1.0000     0.0813     0.9729     0.9729    -0.0000
 72   0     0.9277     1.0000     0.0723     0.9706     0.9706     0.0000
 73   0     0.9177     1.0000     0.0823     0.9770     0.9770    -0.0000
 74   0     0.9463     1.0000     0.0537     0.9899     0.9899    -0.0000
 75   0     6.1865     6.0000    -0.1865     3.8823     3.8823    -0.0000
 76   0     6.1799     6.0000    -0.1799     3.9108     3.9108     0.0000
 77   0     6.1319     6.0000    -0.1319     3.8642     3.8642     0.0000
 78   0     6.1913     6.0000    -0.1913     3.9000     3.9000     0.0000
 79   0     6.1299     6.0000    -0.1299     3.8630     3.8630    -0.0000
 80   0     0.9322     1.0000     0.0678     0.9729     0.9729    -0.0000
 81   0     0.9088     1.0000     0.0912     0.9731     0.9731     0.0000
 82   0     0.9226     1.0000     0.0774     0.9797     0.9797     0.0000
 83   0     0.9071     1.0000     0.0929     0.9736     0.9736     0.0000
 84   0     0.9085     1.0000     0.0915     0.9724     0.9724     0.0000
 85   0     0.9297     1.0000     0.0703     0.9815     0.9815     0.0000
 86   0     0.9201     1.0000     0.0799     0.9791     0.9791     0.0000
 87   0     0.9070     1.0000     0.0930     0.9756     0.9756     0.0000
 88   0     0.9090     1.0000     0.0910     0.9780     0.9780    -0.0000
 89   0     0.9335     1.0000     0.0665     0.9899     0.9899    -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                0.985485
                0             6               4            6                0.965198
                0             6               5            1                0.992711
                0             6               6            1                0.994859
                1             6               2            6                0.981388
                1             6               7            1                0.997417
                1             6               8            1                0.988244
                2             6               3            6                0.954871
                2             6               9            1                0.996934
                2             6              10            1                0.988480
                3             6               4            6                0.967795
                3             6              11            1                0.998724
                3             6              12            1                0.991230
                4             6              13            1                0.991040
                4             6              14            1                0.997665
               15             6              16            6                0.968035
               15             6              19            6                0.961367
               15             6              20            1                0.986898
               15             6              21            1                0.999220
               16             6              17            6                0.985823
               16             6              22            1                0.991250
               16             6              23            1                0.984107
               17             6              18            6                0.949277
               17             6              24            1                1.003920
               17             6              25            1                0.988148
               18             6              19            6                0.981579
               18             6              26            1                0.993290
               18             6              27            1                0.990535
               19             6              28            1                0.991055
               19             6              29            1                0.995118
               30             6              31            6                0.951652
               30             6              34            6                0.969557
               30             6              35            1                1.002427
               30             6              36            1                0.996353
               31             6              32            6                0.978792
               31             6              37            1                0.999052
               31             6              38            1                0.995996
               32             6              33            6                0.962539
               32             6              39            1                0.998667
               32             6              40            1                0.990861
               33             6              34            6                0.985460
               33             6              41            1                0.997860
               33             6              42            1                0.992617
               34             6              43            1                0.983785
               34             6              44            1                0.991147
               45             6              46            6                0.968627
               45             6              49            6                0.975094
               45             6              50            1                0.990059
               45             6              51            1                0.988601
               46             6              47            6                0.954196
               46             6              52            1                0.987653
               46             6              53            1                0.987282
               47             6              48            6                0.965120
               47             6              54            1                1.003242
               47             6              55            1                0.990155
               48             6              49            6                0.971713
               48             6              56            1                0.992157
               48             6              57            1                0.994184
               49             6              58            1                0.985418
               49             6              59            1                0.994443
               60             6              61            6                0.979123
               60             6              64            6                0.959031
               60             6              65            1                0.994711
               60             6              66            1                0.990464
               61             6              62            6                0.983280
               61             6              67            1                0.984934
               61             6              68            1                0.990685
               62             6              63            6                0.961867
               62             6              69            1                0.994474
               62             6              70            1                0.990895
               63             6              64            6                0.956893
               63             6              71            1                0.998817
               63             6              72            1                0.998378
               64             6              73            1                0.992574
               64             6              74            1                0.996384
               75             6              76            6                0.971368
               75             6              79            6                0.957868
               75             6              80            1                1.004288
               75             6              81            1                0.990853
               76             6              77            6                0.975083
               76             6              82            1                0.991488
               76             6              83            1                0.990515
               77             6              78            6                0.966111
               77             6              84            1                0.982907
               77             6              85            1                0.998798
               78             6              79            6                0.951207
               78             6              86            1                0.998411
               78             6              87            1                0.994928
               79             6              88            1                0.987866
               79             6              89            1                1.003801
# -----------------------------------------------------------
$ 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     6.1441     6.0000    -0.1441     4.0131     3.6928     0.3203
  1   0     6.1374     6.0000    -0.1374     4.0285     3.7059     0.3226
  2   0     6.1667     6.0000    -0.1667     3.9935     3.6644     0.3291
  3   0     6.1784     6.0000    -0.1784     3.9836     3.6561     0.3275
  4   0     6.2280     6.0000    -0.2280     4.0019     3.6691     0.3328
  5   0     0.9121     1.0000     0.0879     0.9863     0.9337     0.0526
  6   0     0.9116     1.0000     0.0884     0.9906     0.9420     0.0486
  7   0     0.9091     1.0000     0.0909     0.9910     0.9409     0.0501
  8   0     0.9143     1.0000     0.0857     0.9844     0.9303     0.0541
  9   0     0.9581     1.0000     0.0419     0.9947     0.9353     0.0594
 10   0     0.9027     1.0000     0.0973     0.9811     0.9271     0.0540
 11   0     0.9119     1.0000     0.0881     0.9872     0.9352     0.0520
 12   0     0.9039     1.0000     0.0961     0.9817     0.9286     0.0531
 13   0     0.9025     1.0000     0.0975     0.9834     0.9298     0.0536
 14   0     0.9221     1.0000     0.0779     0.9963     0.9443     0.0520
 15   0     6.2035     6.0000    -0.2035     3.9782     3.6521     0.3261
 16   0     6.1266     6.0000    -0.1266     4.0153     3.6989     0.3164
 17   0     6.2151     6.0000    -0.2151     4.0053     3.6796     0.3257
 18   0     6.1351     6.0000    -0.1351     3.9751     3.6519     0.3232
 19   0     6.1991     6.0000    -0.1991     4.0361     3.7085     0.3276
 20   0     0.9037     1.0000     0.0963     0.9765     0.9226     0.0539
 21   0     0.9115     1.0000     0.0885     0.9815     0.9295     0.0520
 22   0     0.9143     1.0000     0.0857     0.9887     0.9368     0.0519
 23   0     0.9065     1.0000     0.0935     0.9849     0.9330     0.0519
 24   0     0.9116     1.0000     0.0884     0.9826     0.9312     0.0514
 25   0     0.9098     1.0000     0.0902     0.9836     0.9290     0.0546
 26   0     0.9069     1.0000     0.0931     0.9849     0.9318     0.0531
 27   0     0.9285     1.0000     0.0715     0.9910     0.9373     0.0537
 28   0     0.8999     1.0000     0.1001     0.9857     0.9371     0.0486
 29   0     0.9216     1.0000     0.0784     0.9802     0.9244     0.0558
 30   0     6.1655     6.0000    -0.1655     3.9959     3.6708     0.3251
 31   0     6.1216     6.0000    -0.1216     3.9572     3.6328     0.3244
 32   0     6.1998     6.0000    -0.1998     4.0271     3.7058     0.3213
 33   0     6.1413     6.0000    -0.1413     4.0001     3.6746     0.3255
 34   0     6.1974     6.0000    -0.1974     4.0421     3.7118     0.3303
 35   0     0.9187     1.0000     0.0813     0.9822     0.9300     0.0522
 36   0     0.9114     1.0000     0.0886     0.9835     0.9330     0.0505
 37   0     0.9914     1.0000     0.0086     1.0238     0.9629     0.0609
 38   0     0.9220     1.0000     0.0780     0.9916     0.9396     0.0520
 39   0     0.9205     1.0000     0.0795     0.9941     0.9451     0.0490
 40   0     0.9143     1.0000     0.0857     0.9876     0.9352     0.0524
 41   0     0.9147     1.0000     0.0853     0.9877     0.9357     0.0520
 42   0     0.8928     1.0000     0.1072     0.9842     0.9361     0.0481
 43   0     0.9002     1.0000     0.0998     0.9857     0.9361     0.0496
 44   0     0.9047     1.0000     0.0953     0.9862     0.9346     0.0516
 45   0     6.1614     6.0000    -0.1614     4.0260     3.7007     0.3253
 46   0     6.2005     6.0000    -0.2005     3.9780     3.6475     0.3305
 47   0     6.1517     6.0000    -0.1517     3.9782     3.6601     0.3181
 48   0     6.1991     6.0000    -0.1991     4.0019     3.6793     0.3226
 49   0     6.1651     6.0000    -0.1651     4.0026     3.6754     0.3272
 50   0     0.9057     1.0000     0.0943     0.9805     0.9275     0.0530
 51   0     0.9149     1.0000     0.0851     0.9901     0.9383     0.0518
 52   0     0.9048     1.0000     0.0952     0.9773     0.9227     0.0546
 53   0     0.9114     1.0000     0.0886     0.9778     0.9244     0.0534
 54   0     0.9133     1.0000     0.0867     0.9833     0.9315     0.0518
 55   0     0.9019     1.0000     0.0981     0.9827     0.9334     0.0493
 56   0     0.9121     1.0000     0.0879     0.9817     0.9269     0.0548
 57   0     0.9203     1.0000     0.0797     0.9810     0.9265     0.0545
 58   0     0.9173     1.0000     0.0827     0.9877     0.9311     0.0566
 59   0     0.9083     1.0000     0.0917     0.9817     0.9289     0.0528
 60   0     6.1935     6.0000    -0.1935     4.0138     3.6902     0.3236
 61   0     6.1533     6.0000    -0.1533     4.0108     3.6868     0.3240
 62   0     6.1544     6.0000    -0.1544     4.0138     3.6962     0.3176
 63   0     6.1944     6.0000    -0.1944     3.9967     3.6769     0.3198
 64   0     6.1314     6.0000    -0.1314     3.9573     3.6442     0.3131
 65   0     0.9110     1.0000     0.0890     0.9840     0.9320     0.0520
 66   0     0.9112     1.0000     0.0888     0.9846     0.9303     0.0543
 67   0     0.9070     1.0000     0.0930     0.9846     0.9324     0.0522
 68   0     0.9176     1.0000     0.0824     0.9887     0.9349     0.0538
 69   0     0.9188     1.0000     0.0812     0.9891     0.9374     0.0517
 70   0     0.9126     1.0000     0.0874     0.9854     0.9353     0.0501
 71   0     0.9146     1.0000     0.0854     0.9823     0.9319     0.0504
 72   0     0.9235     1.0000     0.0765     0.9803     0.9270     0.0533
 73   0     0.9138     1.0000     0.0862     0.9861     0.9344     0.0517
 74   0     0.9435     1.0000     0.0565     1.0019     0.9444     0.0575
 75   0     6.1937     6.0000    -0.1937     3.9926     3.6720     0.3206
 76   0     6.1876     6.0000    -0.1876     4.0207     3.6968     0.3239
 77   0     6.1391     6.0000    -0.1391     3.9714     3.6502     0.3212
 78   0     6.1997     6.0000    -0.1997     4.0134     3.6843     0.3291
 79   0     6.1368     6.0000    -0.1368     3.9701     3.6565     0.3136
 80   0     0.9284     1.0000     0.0716     0.9831     0.9294     0.0537
 81   0     0.9051     1.0000     0.0949     0.9824     0.9332     0.0492
 82   0     0.9190     1.0000     0.0810     0.9894     0.9354     0.0540
 83   0     0.9033     1.0000     0.0967     0.9824     0.9334     0.0490
 84   0     0.9047     1.0000     0.0953     0.9815     0.9289     0.0526
 85   0     0.9260     1.0000     0.0740     0.9915     0.9383     0.0532
 86   0     0.9164     1.0000     0.0836     0.9886     0.9361     0.0525
 87   0     0.9034     1.0000     0.0966     0.9847     0.9336     0.0511
 88   0     0.9053     1.0000     0.0947     0.9873     0.9357     0.0516
 89   0     0.9299     1.0000     0.0701     1.0002     0.9504     0.0498
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.921464
                0             6               4            6                0.898429
                0             6               5            1                0.950888
                0             6               6            1                0.957005
                1             6               2            6                0.919212
                1             6               7            1                0.956944
                1             6               8            1                0.944921
                2             6               3            6                0.890377
                2             6               9            1                0.951758
                2             6              10            1                0.944483
                3             6               4            6                0.903876
                3             6              11            1                0.957281
                3             6              12            1                0.948474
                4             6              13            1                0.947744
                4             6              14            1                0.956831
               15             6              16            6                0.904916
               15             6              19            6                0.898484
               15             6              20            1                0.944023
               15             6              21            1                0.957631
               16             6              17            6                0.924825
               16             6              22            1                0.949952
               16             6              23            1                0.942878
               17             6              18            6                0.885607
               17             6              24            1                0.963056
               17             6              25            1                0.944799
               18             6              19            6                0.916581
               18             6              26            1                0.950665
               18             6              27            1                0.949309
               19             6              28            1                0.952401
               19             6              29            1                0.949892
               30             6              31            6                0.889695
               30             6              34            6                0.902518
               30             6              35            1                0.960677
               30             6              36            1                0.956355
               31             6              32            6                0.915872
               31             6              37            1                0.952571
               31             6              38            1                0.954226
               32             6              33            6                0.898596
               32             6              39            1                0.960764
               32             6              40            1                0.949325
               33             6              34            6                0.916332
               33             6              41            1                0.956663
               33             6              42            1                0.954606
               34             6              43            1                0.944843
               34             6              44            1                0.950051
               45             6              46            6                0.906863
               45             6              49            6                0.910584
               45             6              50            1                0.946791
               45             6              51            1                0.947169
               46             6              47            6                0.890780
               46             6              52            1                0.944240
               46             6              53            1                0.944085
               47             6              48            6                0.903665
               47             6              54            1                0.961801
               47             6              55            1                0.951172
               48             6              49            6                0.910876
               48             6              56            1                0.948046
               48             6              57            1                0.950720
               49             6              58            1                0.940295
               49             6              59            1                0.951606
               60             6              61            6                0.914666
               60             6              64            6                0.898616
               60             6              65            1                0.953375
               60             6              66            1                0.947023
               61             6              62            6                0.918836
               61             6              67            1                0.943451
               61             6              68            1                0.947524
               62             6              63            6                0.900345
               62             6              69            1                0.953540
               62             6              70            1                0.951339
               63             6              64            6                0.897057
               63             6              71            1                0.958847
               63             6              72            1                0.955461
               64             6              73            1                0.951159
               64             6              74            1                0.952151
               75             6              76            6                0.905004
               75             6              79            6                0.898275
               75             6              80            1                0.961498
               75             6              81            1                0.952285
               76             6              77            6                0.912925
               76             6              82            1                0.948530
               76             6              83            1                0.951700
               77             6              78            6                0.900651
               77             6              84            1                0.941067
               77             6              85            1                0.956677
               78             6              79            6                0.887471
               78             6              86            1                0.956541
               78             6              87            1                0.954324
               79             6              88            1                0.946823
               79             6              89            1                0.965171
# -----------------------------------------------------------
$ 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     6.1982     6.0000    -0.1982     3.9992     3.6828     0.3164
  1   0     6.1922     6.0000    -0.1922     4.0147     3.6964     0.3183
  2   0     6.2120     6.0000    -0.2120     3.9840     3.6597     0.3243
  3   0     6.2213     6.0000    -0.2213     3.9835     3.6607     0.3228
  4   0     6.2721     6.0000    -0.2721     3.9938     3.6657     0.3281
  5   0     0.8884     1.0000     0.1116     0.9779     0.9263     0.0516
  6   0     0.8878     1.0000     0.1122     0.9831     0.9355     0.0476
  7   0     0.8813     1.0000     0.1187     0.9829     0.9341     0.0488
  8   0     0.8932     1.0000     0.1068     0.9764     0.9232     0.0532
  9   0     0.9378     1.0000     0.0622     0.9985     0.9404     0.0581
 10   0     0.8806     1.0000     0.1194     0.9724     0.9195     0.0529
 11   0     0.8881     1.0000     0.1119     0.9780     0.9272     0.0508
 12   0     0.8815     1.0000     0.1185     0.9739     0.9219     0.0520
 13   0     0.8781     1.0000     0.1219     0.9747     0.9223     0.0524
 14   0     0.8927     1.0000     0.1073     0.9836     0.9328     0.0508
 15   0     6.2467     6.0000    -0.2467     3.9733     3.6516     0.3217
 16   0     6.1773     6.0000    -0.1773     4.0069     3.6946     0.3123
 17   0     6.2578     6.0000    -0.2578     3.9877     3.6664     0.3213
 18   0     6.1929     6.0000    -0.1929     3.9743     3.6552     0.3191
 19   0     6.2455     6.0000    -0.2455     4.0209     3.6977     0.3232
 20   0     0.8815     1.0000     0.1185     0.9720     0.9193     0.0527
 21   0     0.8870     1.0000     0.1130     0.9729     0.9220     0.0509
 22   0     0.8909     1.0000     0.1091     0.9795     0.9286     0.0509
 23   0     0.8852     1.0000     0.1148     0.9778     0.9268     0.0510
 24   0     0.8858     1.0000     0.1142     0.9713     0.9209     0.0504
 25   0     0.8850     1.0000     0.1150     0.9742     0.9207     0.0535
 26   0     0.8843     1.0000     0.1157     0.9762     0.9241     0.0521
 27   0     0.9010     1.0000     0.0990     0.9840     0.9315     0.0525
 28   0     0.8788     1.0000     0.1212     0.9777     0.9300     0.0477
 29   0     0.8926     1.0000     0.1074     0.9747     0.9203     0.0544
 30   0     6.2186     6.0000    -0.2186     3.9768     3.6558     0.3210
 31   0     6.1791     6.0000    -0.1791     3.9398     3.6200     0.3198
 32   0     6.2492     6.0000    -0.2492     4.0110     3.6941     0.3169
 33   0     6.1949     6.0000    -0.1949     3.9935     3.6716     0.3219
 34   0     6.2329     6.0000    -0.2329     4.0242     3.6980     0.3262
 35   0     0.8933     1.0000     0.1067     0.9732     0.9221     0.0511
 36   0     0.8858     1.0000     0.1142     0.9777     0.9284     0.0493
 37   0     0.9549     1.0000     0.0451     1.0252     0.9659     0.0593
 38   0     0.8948     1.0000     0.1052     0.9791     0.9284     0.0507
 39   0     0.8914     1.0000     0.1086     0.9865     0.9388     0.0477
 40   0     0.8890     1.0000     0.1110     0.9789     0.9275     0.0514
 41   0     0.8896     1.0000     0.1104     0.9813     0.9305     0.0508
 42   0     0.8735     1.0000     0.1265     0.9756     0.9285     0.0471
 43   0     0.8816     1.0000     0.1184     0.9828     0.9341     0.0487
 44   0     0.8861     1.0000     0.1139     0.9788     0.9281     0.0507
 45   0     6.2092     6.0000    -0.2092     4.0079     3.6872     0.3207
 46   0     6.2591     6.0000    -0.2591     3.9745     3.6487     0.3258
 47   0     6.2066     6.0000    -0.2066     3.9512     3.6370     0.3142
 48   0     6.2393     6.0000    -0.2393     3.9770     3.6591     0.3179
 49   0     6.2143     6.0000    -0.2143     3.9822     3.6594     0.3228
 50   0     0.8819     1.0000     0.1181     0.9731     0.9213     0.0518
 51   0     0.8884     1.0000     0.1116     0.9843     0.9338     0.0505
 52   0     0.8756     1.0000     0.1244     0.9722     0.9191     0.0531
 53   0     0.8902     1.0000     0.1098     0.9719     0.9196     0.0523
 54   0     0.8856     1.0000     0.1144     0.9750     0.9245     0.0505
 55   0     0.8790     1.0000     0.1210     0.9770     0.9288     0.0482
 56   0     0.8870     1.0000     0.1130     0.9753     0.9217     0.0536
 57   0     0.8954     1.0000     0.1046     0.9732     0.9197     0.0535
 58   0     0.8937     1.0000     0.1063     0.9846     0.9292     0.0554
 59   0     0.8846     1.0000     0.1154     0.9736     0.9218     0.0518
 60   0     6.2415     6.0000    -0.2415     3.9996     3.6803     0.3193
 61   0     6.1986     6.0000    -0.1986     3.9956     3.6758     0.3198
 62   0     6.2114     6.0000    -0.2114     3.9984     3.6846     0.3138
 63   0     6.2459     6.0000    -0.2459     3.9783     3.6628     0.3155
 64   0     6.1842     6.0000    -0.1842     3.9409     3.6320     0.3089
 65   0     0.8854     1.0000     0.1146     0.9766     0.9258     0.0508
 66   0     0.8872     1.0000     0.1128     0.9758     0.9225     0.0533
 67   0     0.8868     1.0000     0.1132     0.9784     0.9271     0.0513
 68   0     0.8945     1.0000     0.1055     0.9812     0.9283     0.0529
 69   0     0.8923     1.0000     0.1077     0.9799     0.9292     0.0507
 70   0     0.8876     1.0000     0.1124     0.9785     0.9294     0.0491
 71   0     0.8875     1.0000     0.1125     0.9733     0.9241     0.0492
 72   0     0.8943     1.0000     0.1057     0.9724     0.9204     0.0520
 73   0     0.8889     1.0000     0.1111     0.9773     0.9266     0.0507
 74   0     0.9135     1.0000     0.0865     0.9944     0.9384     0.0560
 75   0     6.2424     6.0000    -0.2424     3.9699     3.6534     0.3165
 76   0     6.2341     6.0000    -0.2341     3.9957     3.6758     0.3199
 77   0     6.1907     6.0000    -0.1907     3.9606     3.6435     0.3171
 78   0     6.2496     6.0000    -0.2496     3.9990     3.6738     0.3252
 79   0     6.1987     6.0000    -0.1987     3.9683     3.6587     0.3096
 80   0     0.8985     1.0000     0.1015     0.9738     0.9214     0.0524
 81   0     0.8803     1.0000     0.1197     0.9752     0.9270     0.0482
 82   0     0.8931     1.0000     0.1069     0.9802     0.9272     0.0530
 83   0     0.8801     1.0000     0.1199     0.9764     0.9284     0.0480
 84   0     0.8831     1.0000     0.1169     0.9759     0.9243     0.0516
 85   0     0.8994     1.0000     0.1006     0.9828     0.9307     0.0521
 86   0     0.8900     1.0000     0.1100     0.9785     0.9270     0.0515
 87   0     0.8788     1.0000     0.1212     0.9767     0.9267     0.0500
 88   0     0.8805     1.0000     0.1195     0.9799     0.9294     0.0505
 89   0     0.8995     1.0000     0.1005     0.9885     0.9400     0.0485
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.931128
                0             6               4            6                0.904016
                0             6               5            1                0.936112
                0             6               6            1                0.947220
                1             6               2            6                0.931154
                1             6               7            1                0.942882
                1             6               8            1                0.926602
                2             6               3            6                0.906520
                2             6               9            1                0.935523
                2             6              10            1                0.926144
                3             6               4            6                0.919354
                3             6              11            1                0.942882
                3             6              12            1                0.933338
                4             6              13            1                0.932404
                4             6              14            1                0.941683
               15             6              16            6                0.916590
               15             6              19            6                0.909878
               15             6              20            1                0.930795
               15             6              21            1                0.945007
               16             6              17            6                0.936823
               16             6              22            1                0.934344
               16             6              23            1                0.930497
               17             6              18            6                0.899536
               17             6              24            1                0.946685
               17             6              25            1                0.927459
               18             6              19            6                0.926712
               18             6              26            1                0.934704
               18             6              27            1                0.937762
               19             6              28            1                0.940173
               19             6              29            1                0.931638
               30             6              31            6                0.900930
               30             6              34            6                0.910128
               30             6              35            1                0.945857
               30             6              36            1                0.942916
               31             6              32            6                0.922357
               31             6              37            1                0.937445
               31             6              38            1                0.935951
               32             6              33            6                0.910628
               32             6              39            1                0.949168
               32             6              40            1                0.933958
               33             6              34            6                0.923847
               33             6              41            1                0.943603
               33             6              42            1                0.940560
               34             6              43            1                0.935622
               34             6              44            1                0.935082
               45             6              46            6                0.916930
               45             6              49            6                0.918417
               45             6              50            1                0.931867
               45             6              51            1                0.935670
               46             6              47            6                0.894731
               46             6              52            1                0.930450
               46             6              53            1                0.928742
               47             6              48            6                0.908592
               47             6              54            1                0.948127
               47             6              55            1                0.938990
               48             6              49            6                0.919839
               48             6              56            1                0.932905
               48             6              57            1                0.936275
               49             6              58            1                0.923758
               49             6              59            1                0.938697
               60             6              61            6                0.924558
               60             6              64            6                0.911516
               60             6              65            1                0.941840
               60             6              66            1                0.930768
               61             6              62            6                0.925322
               61             6              67            1                0.931497
               61             6              68            1                0.935031
               62             6              63            6                0.907541
               62             6              69            1                0.940555
               62             6              70            1                0.941126
               63             6              64            6                0.903563
               63             6              71            1                0.946754
               63             6              72            1                0.941360
               64             6              73            1                0.936604
               64             6              74            1                0.936904
               75             6              76            6                0.905118
               75             6              79            6                0.908192
               75             6              80            1                0.948989
               75             6              81            1                0.940908
               76             6              77            6                0.922360
               76             6              82            1                0.933586
               76             6              83            1                0.942758
               77             6              78            6                0.909093
               77             6              84            1                0.929563
               77             6              85            1                0.944899
               78             6              79            6                0.896736
               78             6              86            1                0.943070
               78             6              87            1                0.941810
               79             6              88            1                0.934996
               79             6              89            1                0.955260
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1942925570
        Correlation Energy:       -5.0708815575
        Total MP2 Energy:      -1176.2651741145
# -----------------------------------------------------------
$ 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) :        0.4139709976
        Electronic Contribution:
                  0    
      0      -0.210009
      1      -1.062431
      2       0.089691
        Nuclear Contribution:
                  0    
      0       0.353469
      1       1.092541
      2      -0.160668
        Total Dipole moment:
                  0    
      0       0.143460
      1       0.030111
      2      -0.070977
# -----------------------------------------------------------
$ 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) :        0.4162051641
        Electronic Contribution:
                  0    
      0      -0.209355
      1      -1.059798
      2       0.090160
        Nuclear Contribution:
                  0    
      0       0.353469
      1       1.092541
      2      -0.160668
        Total Dipole moment:
                  0    
      0       0.144114
      1       0.032743
      2      -0.070507
# -----------------------------------------------------------
$ 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) :        0.4119262489
        Electronic Contribution:
                  0    
      0      -0.215568
      1      -1.026162
      2       0.107369
        Nuclear Contribution:
                  0    
      0       0.353469
      1       1.092541
      2      -0.160668
        Total Dipole moment:
                  0    
      0       0.137901
      1       0.066379
      2      -0.053299
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     21.850000000000   13.850000000000   20.820000000000
               1 C     22.920000000000   14.650000000000   20.020000000000
               2 C     22.170000000000   15.470000000000   18.980000000000
               3 C     20.660000000000   15.540000000000   19.440000000000
               4 C     20.470000000000   14.670000000000   20.720000000000
               5 H     22.160000000000   13.750000000000   21.880000000000
               6 H     21.710000000000   12.930000000000   20.380000000000
               7 H     23.640000000000   14.010000000000   19.540000000000
               8 H     23.450000000000   15.330000000000   20.760000000000
               9 H     22.160000000000   15.020000000000   17.970000000000
              10 H     22.680000000000   16.460000000000   18.770000000000
              11 H     20.060000000000   15.170000000000   18.630000000000
              12 H     20.280000000000   16.560000000000   19.640000000000
              13 H     19.550000000000   14.040000000000   20.740000000000
              14 H     20.290000000000   15.220000000000   21.610000000000
              15 C     21.960000000000   16.930000000000   15.290000000000
              16 C     21.140000000000   18.230000000000   15.400000000000
              17 C     19.730000000000   17.750000000000   15.080000000000
              18 C     19.570000000000   16.230000000000   15.340000000000
              19 C     21.040000000000   15.690000000000   15.180000000000
              20 H     22.710000000000   16.950000000000   16.110000000000
              21 H     22.550000000000   16.890000000000   14.380000000000
              22 H     21.550000000000   18.880000000000   14.620000000000
              23 H     21.270000000000   18.700000000000   16.400000000000
              24 H     19.460000000000   17.840000000000   14.060000000000
              25 H     18.890000000000   18.400000000000   15.460000000000
              26 H     18.850000000000   15.750000000000   14.620000000000
              27 H     19.110000000000   16.170000000000   16.310000000000
              28 H     21.110000000000   15.140000000000   14.280000000000
              29 H     21.310000000000   14.980000000000   16.020000000000
              30 C     15.670000000000   17.900000000000   19.530000000000
              31 C     17.050000000000   17.270000000000   19.590000000000
              32 C     16.870000000000   15.780000000000   19.280000000000
              33 C     15.420000000000   15.460000000000   19.830000000000
              34 C     14.540000000000   16.840000000000   19.880000000000
              35 H     15.510000000000   18.270000000000   18.520000000000
              36 H     15.770000000000   18.780000000000   20.090000000000
              37 H     17.610000000000   17.550000000000   20.530000000000
              38 H     17.680000000000   17.690000000000   18.820000000000
              39 H     17.570000000000   15.190000000000   19.710000000000
              40 H     17.080000000000   15.650000000000   18.210000000000
              41 H     15.540000000000   15.160000000000   20.850000000000
              42 H     14.880000000000   14.680000000000   19.380000000000
              43 H     14.110000000000   17.100000000000   20.820000000000
              44 H     13.910000000000   16.970000000000   19.000000000000
              45 C     17.290000000000   16.940000000000   23.330000000000
              46 C     18.560000000000   17.580000000000   22.820000000000
              47 C     18.270000000000   19.120000000000   22.760000000000
              48 C     16.850000000000   19.380000000000   23.190000000000
              49 C     16.180000000000   18.060000000000   23.410000000000
              50 H     17.510000000000   16.540000000000   24.360000000000
              51 H     17.010000000000   16.130000000000   22.670000000000
              52 H     18.990000000000   17.170000000000   21.880000000000
              53 H     19.380000000000   17.360000000000   23.540000000000
              54 H     18.280000000000   19.470000000000   21.750000000000
              55 H     18.930000000000   19.780000000000   23.270000000000
              56 H     16.280000000000   20.010000000000   22.430000000000
              57 H     16.920000000000   19.970000000000   24.150000000000
              58 H     15.270000000000   17.940000000000   22.710000000000
              59 H     15.740000000000   18.160000000000   24.420000000000
              60 C     25.070000000000   13.670000000000   14.800000000000
              61 C     24.950000000000   12.110000000000   14.680000000000
              62 C     24.340000000000   11.620000000000   16.020000000000
              63 C     24.450000000000   12.820000000000   16.980000000000
              64 C     24.850000000000   14.060000000000   16.250000000000
              65 H     24.350000000000   14.200000000000   14.190000000000
              66 H     26.060000000000   14.030000000000   14.380000000000
              67 H     25.950000000000   11.640000000000   14.550000000000
              68 H     24.180000000000   11.890000000000   13.890000000000
              69 H     24.930000000000   10.790000000000   16.410000000000
              70 H     23.350000000000   11.270000000000   15.820000000000
              71 H     25.160000000000   12.610000000000   17.740000000000
              72 H     23.520000000000   12.980000000000   17.550000000000
              73 H     25.720000000000   14.510000000000   16.730000000000
              74 H     24.050000000000   14.810000000000   16.430000000000
              75 C     19.320000000000   14.550000000000   26.470000000000
              76 C     20.190000000000   13.420000000000   27.180000000000
              77 C     20.040000000000   12.190000000000   26.260000000000
              78 C     19.380000000000   12.610000000000   24.900000000000
              79 C     18.970000000000   14.140000000000   25.070000000000
              80 H     19.980000000000   15.410000000000   26.400000000000
              81 H     18.560000000000   14.910000000000   27.100000000000
              82 H     19.700000000000   13.320000000000   28.180000000000
              83 H     21.190000000000   13.730000000000   27.350000000000
              84 H     19.450000000000   11.340000000000   26.690000000000
              85 H     21.050000000000   11.920000000000   25.950000000000
              86 H     18.540000000000   11.930000000000   24.750000000000
              87 H     20.040000000000   12.290000000000   24.110000000000
              88 H     17.920000000000   14.320000000000   24.820000000000
              89 H     19.520000000000   14.760000000000   24.470000000000
