-------------------------------------------------------------
----------------------- !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:    -1171.2048055591
# -----------------------------------------------------------
$ 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     6.2313     6.0000    -0.2313     3.8785     3.8785    -0.0000
  1   0     6.1140     6.0000    -0.1140     3.8581     3.8581    -0.0000
  2   0     6.1584     6.0000    -0.1584     3.9033     3.9033    -0.0000
  3   0     6.1581     6.0000    -0.1581     3.9270     3.9270     0.0000
  4   0     6.1747     6.0000    -0.1747     3.8624     3.8624    -0.0000
  5   0     0.9113     1.0000     0.0887     0.9728     0.9728    -0.0000
  6   0     0.9143     1.0000     0.0857     0.9698     0.9698    -0.0000
  7   0     0.9326     1.0000     0.0674     0.9779     0.9779    -0.0000
  8   0     0.9122     1.0000     0.0878     0.9859     0.9859    -0.0000
  9   0     0.9224     1.0000     0.0776     0.9739     0.9739    -0.0000
 10   0     0.8991     1.0000     0.1009     0.9676     0.9676     0.0000
 11   0     0.9133     1.0000     0.0867     0.9704     0.9704    -0.0000
 12   0     0.9144     1.0000     0.0856     0.9831     0.9831     0.0000
 13   0     0.9338     1.0000     0.0662     0.9738     0.9738    -0.0000
 14   0     0.9071     1.0000     0.0929     0.9745     0.9745    -0.0000
 15   0     6.0967     6.0000    -0.0967     3.8897     3.8897    -0.0000
 16   0     6.2098     6.0000    -0.2098     3.8986     3.8986    -0.0000
 17   0     6.1462     6.0000    -0.1462     3.8916     3.8916    -0.0000
 18   0     6.1900     6.0000    -0.1900     3.8635     3.8635    -0.0000
 19   0     6.1797     6.0000    -0.1797     3.9106     3.9106     0.0000
 20   0     0.9157     1.0000     0.0843     0.9774     0.9774    -0.0000
 21   0     0.9271     1.0000     0.0729     0.9888     0.9888    -0.0000
 22   0     0.9192     1.0000     0.0808     0.9724     0.9724    -0.0000
 23   0     0.9157     1.0000     0.0843     0.9757     0.9757    -0.0000
 24   0     0.9111     1.0000     0.0889     0.9757     0.9757    -0.0000
 25   0     0.9142     1.0000     0.0858     0.9764     0.9764     0.0000
 26   0     0.9226     1.0000     0.0774     0.9764     0.9764    -0.0000
 27   0     0.9175     1.0000     0.0825     0.9773     0.9773    -0.0000
 28   0     0.9140     1.0000     0.0860     0.9755     0.9755     0.0000
 29   0     0.9208     1.0000     0.0792     0.9810     0.9810    -0.0000
 30   0     6.1382     6.0000    -0.1382     3.8966     3.8966     0.0000
 31   0     6.1907     6.0000    -0.1907     3.8960     3.8960    -0.0000
 32   0     6.1696     6.0000    -0.1696     3.8658     3.8658    -0.0000
 33   0     6.1486     6.0000    -0.1486     3.8843     3.8843    -0.0000
 34   0     6.1854     6.0000    -0.1854     3.8843     3.8843    -0.0000
 35   0     0.9136     1.0000     0.0864     0.9795     0.9795     0.0000
 36   0     0.9034     1.0000     0.0966     0.9784     0.9784    -0.0000
 37   0     0.9142     1.0000     0.0858     0.9756     0.9756    -0.0000
 38   0     0.9147     1.0000     0.0853     0.9766     0.9766    -0.0000
 39   0     0.9237     1.0000     0.0763     0.9770     0.9770    -0.0000
 40   0     0.9202     1.0000     0.0798     0.9758     0.9758    -0.0000
 41   0     0.9146     1.0000     0.0854     0.9750     0.9750    -0.0000
 42   0     0.9243     1.0000     0.0757     0.9809     0.9809     0.0000
 43   0     0.9188     1.0000     0.0812     0.9754     0.9754    -0.0000
 44   0     0.9203     1.0000     0.0797     0.9740     0.9740    -0.0000
 45   0     6.1656     6.0000    -0.1656     3.8842     3.8842    -0.0000
 46   0     6.1761     6.0000    -0.1761     3.9016     3.9016    -0.0000
 47   0     6.1566     6.0000    -0.1566     3.8939     3.8939     0.0000
 48   0     6.1669     6.0000    -0.1669     3.9018     3.9018    -0.0000
 49   0     6.1864     6.0000    -0.1864     3.8945     3.8945    -0.0000
 50   0     0.9010     1.0000     0.0990     0.9735     0.9735    -0.0000
 51   0     0.9298     1.0000     0.0702     0.9737     0.9737    -0.0000
 52   0     0.9140     1.0000     0.0860     0.9740     0.9740     0.0000
 53   0     0.9191     1.0000     0.0809     0.9780     0.9780    -0.0000
 54   0     0.9061     1.0000     0.0939     0.9794     0.9794    -0.0000
 55   0     0.9187     1.0000     0.0813     0.9732     0.9732     0.0000
 56   0     0.8941     1.0000     0.1059     0.9702     0.9702    -0.0000
 57   0     0.9345     1.0000     0.0655     0.9799     0.9799    -0.0000
 58   0     0.9223     1.0000     0.0777     0.9825     0.9825     0.0000
 59   0     0.9113     1.0000     0.0887     0.9738     0.9738    -0.0000
 60   0     6.1458     6.0000    -0.1458     3.8740     3.8740     0.0000
 61   0     6.1892     6.0000    -0.1892     3.8771     3.8771     0.0000
 62   0     6.1311     6.0000    -0.1311     3.8728     3.8728     0.0000
 63   0     6.1590     6.0000    -0.1590     3.9053     3.9053    -0.0000
 64   0     6.1697     6.0000    -0.1697     3.9060     3.9060    -0.0000
 65   0     0.9136     1.0000     0.0864     0.9760     0.9760     0.0000
 66   0     0.9210     1.0000     0.0790     0.9784     0.9784     0.0000
 67   0     0.9102     1.0000     0.0898     0.9787     0.9787     0.0000
 68   0     0.9253     1.0000     0.0747     0.9755     0.9755     0.0000
 69   0     0.9529     1.0000     0.0471     0.9949     0.9949     0.0000
 70   0     0.9159     1.0000     0.0841     0.9744     0.9744     0.0000
 71   0     0.9205     1.0000     0.0795     0.9780     0.9780    -0.0000
 72   0     0.9073     1.0000     0.0927     0.9750     0.9750    -0.0000
 73   0     0.9239     1.0000     0.0761     0.9746     0.9746     0.0000
 74   0     0.9175     1.0000     0.0825     0.9817     0.9817    -0.0000
 75   0     6.1856     6.0000    -0.1856     3.8963     3.8963    -0.0000
 76   0     6.1529     6.0000    -0.1529     3.8849     3.8849     0.0000
 77   0     6.1625     6.0000    -0.1625     3.9073     3.9073     0.0000
 78   0     6.1717     6.0000    -0.1717     3.8625     3.8625     0.0000
 79   0     6.1671     6.0000    -0.1671     3.8773     3.8773     0.0000
 80   0     0.9159     1.0000     0.0841     0.9730     0.9730    -0.0000
 81   0     0.9061     1.0000     0.0939     0.9776     0.9776    -0.0000
 82   0     0.9200     1.0000     0.0800     0.9769     0.9769    -0.0000
 83   0     0.9181     1.0000     0.0819     0.9770     0.9770     0.0000
 84   0     0.9158     1.0000     0.0842     0.9724     0.9724     0.0000
 85   0     0.9190     1.0000     0.0810     0.9730     0.9730     0.0000
 86   0     0.9173     1.0000     0.0827     0.9815     0.9815     0.0000
 87   0     0.9256     1.0000     0.0744     0.9726     0.9726     0.0000
 88   0     0.8954     1.0000     0.1046     0.9711     0.9711    -0.0000
 89   0     0.9243     1.0000     0.0757     0.9761     0.9761    -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                0.950571
                0             6               4            6                0.962006
                0             6               5            1                0.987554
                0             6               6            1                1.000906
                1             6               2            6                0.963779
                1             6               7            1                1.003974
                1             6               8            1                0.991425
                2             6               3            6                0.990070
                2             6               9            1                1.006073
                2             6              10            1                0.975335
                3             6               4            6                0.974473
                3             6              11            1                0.995326
                3             6              12            1                0.986929
                4             6              13            1                0.997040
                4             6              14            1                0.982107
               15             6              16            6                0.956825
               15             6              19            6                0.977492
               15             6              20            1                0.988912
               15             6              21            1                1.001651
               16             6              17            6                0.979078
               16             6              22            1                0.999078
               16             6              23            1                0.996671
               17             6              18            6                0.967920
               17             6              24            1                0.987504
               17             6              25            1                0.985552
               18             6              19            6                0.965486
               18             6              26            1                0.991863
               18             6              27            1                0.986290
               19             6              28            1                0.991813
               19             6              29            1                0.994160
               30             6              31            6                0.978205
               30             6              34            6                0.974525
               30             6              35            1                0.986856
               30             6              36            1                0.982607
               31             6              32            6                0.959730
               31             6              37            1                0.994064
               31             6              38            1                0.989197
               32             6              33            6                0.961003
               32             6              39            1                0.993510
               32             6              40            1                0.996843
               33             6              34            6                0.963475
               33             6              41            1                0.982940
               33             6              42            1                1.004797
               34             6              43            1                0.989731
               34             6              44            1                0.991089
               45             6              46            6                0.981257
               45             6              49            6                0.963774
               45             6              50            1                0.982516
               45             6              51            1                0.995264
               46             6              47            6                0.970883
               46             6              52            1                0.988898
               46             6              53            1                0.990239
               47             6              48            6                0.976861
               47             6              54            1                0.988830
               47             6              55            1                0.994242
               48             6              49            6                0.979289
               48             6              56            1                0.979500
               48             6              57            1                0.993338
               49             6              58            1                0.989049
               49             6              59            1                0.987748
               60             6              61            6                0.964014
               60             6              64            6                0.970498
               60             6              65            1                0.989534
               60             6              66            1                0.990292
               61             6              62            6                0.952706
               61             6              67            1                0.992308
               61             6              68            1                0.995391
               62             6              63            6                0.973766
               62             6              69            1                0.998309
               62             6              70            1                0.987827
               63             6              64            6                0.974041
               63             6              71            1                0.995084
               63             6              72            1                0.984276
               64             6              73            1                0.992180
               64             6              74            1                0.991385
               75             6              76            6                0.971139
               75             6              79            6                0.973457
               75             6              80            1                0.992308
               75             6              81            1                0.986043
               76             6              77            6                0.970344
               76             6              82            1                0.992060
               76             6              83            1                0.991712
               77             6              78            6                0.967595
               77             6              84            1                0.998166
               77             6              85            1                0.990495
               78             6              79            6                0.947314
               78             6              86            1                0.999042
               78             6              87            1                0.996828
               79             6              88            1                0.979373
               79             6              89            1                1.000946
# -----------------------------------------------------------
$ 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     6.2405     6.0000    -0.2405     3.9979     3.6627     0.3352
  1   0     6.1214     6.0000    -0.1214     3.9656     3.6500     0.3156
  2   0     6.1676     6.0000    -0.1676     4.0156     3.6862     0.3294
  3   0     6.1656     6.0000    -0.1656     4.0336     3.7177     0.3159
  4   0     6.1811     6.0000    -0.1811     3.9714     3.6495     0.3219
  5   0     0.9075     1.0000     0.0925     0.9821     0.9268     0.0553
  6   0     0.9102     1.0000     0.0898     0.9790     0.9292     0.0498
  7   0     0.9286     1.0000     0.0714     0.9877     0.9341     0.0536
  8   0     0.9080     1.0000     0.0920     0.9946     0.9450     0.0496
  9   0     0.9184     1.0000     0.0816     0.9833     0.9290     0.0543
 10   0     0.8952     1.0000     0.1048     0.9765     0.9248     0.0517
 11   0     0.9092     1.0000     0.0908     0.9795     0.9291     0.0504
 12   0     0.9105     1.0000     0.0895     0.9924     0.9422     0.0502
 13   0     0.9299     1.0000     0.0701     0.9839     0.9295     0.0544
 14   0     0.9035     1.0000     0.0965     0.9842     0.9337     0.0505
 15   0     6.1041     6.0000    -0.1041     3.9919     3.6908     0.3011
 16   0     6.2175     6.0000    -0.2175     4.0113     3.6899     0.3214
 17   0     6.1541     6.0000    -0.1541     4.0010     3.6743     0.3267
 18   0     6.1977     6.0000    -0.1977     3.9778     3.6412     0.3366
 19   0     6.1869     6.0000    -0.1869     4.0187     3.6996     0.3191
 20   0     0.9119     1.0000     0.0881     0.9866     0.9368     0.0498
 21   0     0.9232     1.0000     0.0768     0.9982     0.9513     0.0469
 22   0     0.9153     1.0000     0.0847     0.9820     0.9279     0.0541
 23   0     0.9119     1.0000     0.0881     0.9852     0.9340     0.0512
 24   0     0.9073     1.0000     0.0927     0.9848     0.9330     0.0518
 25   0     0.9103     1.0000     0.0897     0.9855     0.9308     0.0547
 26   0     0.9186     1.0000     0.0814     0.9861     0.9312     0.0549
 27   0     0.9139     1.0000     0.0861     0.9873     0.9334     0.0539
 28   0     0.9102     1.0000     0.0898     0.9847     0.9346     0.0501
 29   0     0.9171     1.0000     0.0829     0.9906     0.9382     0.0524
 30   0     6.1460     6.0000    -0.1460     4.0059     3.6777     0.3282
 31   0     6.1981     6.0000    -0.1981     4.0068     3.6786     0.3282
 32   0     6.1774     6.0000    -0.1774     3.9761     3.6560     0.3201
 33   0     6.1558     6.0000    -0.1558     3.9905     3.6799     0.3106
 34   0     6.1931     6.0000    -0.1931     3.9959     3.6711     0.3248
 35   0     0.9098     1.0000     0.0902     0.9888     0.9374     0.0514
 36   0     0.8996     1.0000     0.1004     0.9873     0.9345     0.0528
 37   0     0.9105     1.0000     0.0895     0.9851     0.9327     0.0524
 38   0     0.9109     1.0000     0.0891     0.9860     0.9326     0.0534
 39   0     0.9199     1.0000     0.0801     0.9868     0.9354     0.0514
 40   0     0.9164     1.0000     0.0836     0.9854     0.9345     0.0509
 41   0     0.9108     1.0000     0.0892     0.9844     0.9315     0.0529
 42   0     0.9206     1.0000     0.0794     0.9906     0.9434     0.0472
 43   0     0.9150     1.0000     0.0850     0.9850     0.9333     0.0517
 44   0     0.9164     1.0000     0.0836     0.9837     0.9308     0.0529
 45   0     6.1741     6.0000    -0.1741     3.9977     3.6621     0.3356
 46   0     6.1837     6.0000    -0.1837     4.0115     3.6856     0.3259
 47   0     6.1642     6.0000    -0.1642     4.0021     3.6803     0.3218
 48   0     6.1745     6.0000    -0.1745     4.0127     3.6832     0.3295
 49   0     6.1935     6.0000    -0.1935     4.0067     3.6792     0.3275
 50   0     0.8972     1.0000     0.1028     0.9824     0.9310     0.0514
 51   0     0.9258     1.0000     0.0742     0.9838     0.9261     0.0577
 52   0     0.9102     1.0000     0.0898     0.9834     0.9310     0.0524
 53   0     0.9154     1.0000     0.0846     0.9876     0.9355     0.0521
 54   0     0.9023     1.0000     0.0977     0.9884     0.9395     0.0489
 55   0     0.9149     1.0000     0.0851     0.9827     0.9293     0.0534
 56   0     0.8903     1.0000     0.1097     0.9789     0.9285     0.0504
 57   0     0.9306     1.0000     0.0694     0.9900     0.9313     0.0587
 58   0     0.9182     1.0000     0.0818     0.9918     0.9408     0.0510
 59   0     0.9074     1.0000     0.0926     0.9831     0.9317     0.0514
 60   0     6.1534     6.0000    -0.1534     3.9822     3.6614     0.3208
 61   0     6.1966     6.0000    -0.1966     3.9888     3.6621     0.3267
 62   0     6.1390     6.0000    -0.1390     3.9816     3.6593     0.3223
 63   0     6.1667     6.0000    -0.1667     4.0137     3.6926     0.3211
 64   0     6.1773     6.0000    -0.1773     4.0139     3.6943     0.3196
 65   0     0.9098     1.0000     0.0902     0.9854     0.9343     0.0511
 66   0     0.9171     1.0000     0.0829     0.9879     0.9350     0.0529
 67   0     0.9066     1.0000     0.0934     0.9881     0.9380     0.0501
 68   0     0.9213     1.0000     0.0787     0.9852     0.9307     0.0545
 69   0     0.9491     1.0000     0.0509     1.0058     0.9499     0.0559
 70   0     0.9119     1.0000     0.0881     0.9837     0.9316     0.0521
 71   0     0.9166     1.0000     0.0834     0.9873     0.9369     0.0504
 72   0     0.9035     1.0000     0.0965     0.9842     0.9310     0.0532
 73   0     0.9201     1.0000     0.0799     0.9842     0.9311     0.0531
 74   0     0.9137     1.0000     0.0863     0.9910     0.9422     0.0488
 75   0     6.1929     6.0000    -0.1929     4.0073     3.6766     0.3307
 76   0     6.1603     6.0000    -0.1603     3.9931     3.6729     0.3202
 77   0     6.1708     6.0000    -0.1708     4.0162     3.6982     0.3180
 78   0     6.1795     6.0000    -0.1795     3.9754     3.6485     0.3269
 79   0     6.1743     6.0000    -0.1743     3.9878     3.6607     0.3271
 80   0     0.9122     1.0000     0.0878     0.9825     0.9279     0.0546
 81   0     0.9024     1.0000     0.0976     0.9867     0.9348     0.0519
 82   0     0.9163     1.0000     0.0837     0.9865     0.9343     0.0522
 83   0     0.9143     1.0000     0.0857     0.9864     0.9351     0.0513
 84   0     0.9121     1.0000     0.0879     0.9819     0.9316     0.0503
 85   0     0.9150     1.0000     0.0850     0.9823     0.9298     0.0525
 86   0     0.9134     1.0000     0.0866     0.9908     0.9372     0.0536
 87   0     0.9214     1.0000     0.0786     0.9823     0.9261     0.0562
 88   0     0.8919     1.0000     0.1081     0.9800     0.9280     0.0520
 89   0     0.9205     1.0000     0.0795     0.9857     0.9320     0.0537
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.889910
                0             6               4            6                0.894497
                0             6               5            1                0.942901
                0             6               6            1                0.961242
                1             6               2            6                0.901768
                1             6               7            1                0.961059
                1             6               8            1                0.951940
                2             6               3            6                0.924215
                2             6               9            1                0.961922
                2             6              10            1                0.934132
                3             6               4            6                0.914193
                3             6              11            1                0.955014
                3             6              12            1                0.947625
                4             6              13            1                0.953613
                4             6              14            1                0.942789
               15             6              16            6                0.897208
               15             6              19            6                0.917751
               15             6              20            1                0.949726
               15             6              21            1                0.965349
               16             6              17            6                0.917103
               16             6              22            1                0.955717
               16             6              23            1                0.956139
               17             6              18            6                0.901367
               17             6              24            1                0.946304
               17             6              25            1                0.941560
               18             6              19            6                0.899080
               18             6              26            1                0.947878
               18             6              27            1                0.943728
               19             6              28            1                0.952263
               19             6              29            1                0.952615
               30             6              31            6                0.912784
               30             6              34            6                0.908072
               30             6              35            1                0.946113
               30             6              36            1                0.940331
               31             6              32            6                0.895496
               31             6              37            1                0.952352
               31             6              38            1                0.946616
               32             6              33            6                0.899041
               32             6              39            1                0.953076
               32             6              40            1                0.956719
               33             6              34            6                0.902963
               33             6              41            1                0.941148
               33             6              42            1                0.968210
               34             6              43            1                0.948859
               34             6              44            1                0.949244
               45             6              46            6                0.916043
               45             6              49            6                0.897304
               45             6              50            1                0.941604
               45             6              51            1                0.948654
               46             6              47            6                0.906084
               46             6              52            1                0.947283
               46             6              53            1                0.949129
               47             6              48            6                0.912744
               47             6              54            1                0.950452
               47             6              55            1                0.951356
               48             6              49            6                0.915818
               48             6              56            1                0.939363
               48             6              57            1                0.946178
               49             6              58            1                0.948649
               49             6              59            1                0.946801
               60             6              61            6                0.899149
               60             6              64            6                0.908111
               60             6              65            1                0.949181
               60             6              66            1                0.948158
               61             6              62            6                0.889301
               61             6              67            1                0.952921
               61             6              68            1                0.951743
               62             6              63            6                0.912527
               62             6              69            1                0.954598
               62             6              70            1                0.946112
               63             6              64            6                0.908558
               63             6              71            1                0.955094
               63             6              72            1                0.941922
               64             6              73            1                0.949991
               64             6              74            1                0.953336
               75             6              76            6                0.906667
               75             6              79            6                0.906630
               75             6              80            1                0.948369
               75             6              81            1                0.944871
               76             6              77            6                0.907497
               76             6              82            1                0.950872
               76             6              83            1                0.951161
               77             6              78            6                0.906537
               77             6              84            1                0.958567
               77             6              85            1                0.948604
               78             6              79            6                0.886236
               78             6              86            1                0.955580
               78             6              87            1                0.951305
               79             6              88            1                0.938064
               79             6              89            1                0.957748
# -----------------------------------------------------------
$ 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     6.2785     6.0000    -0.2785     3.9688     3.6381     0.3307
  1   0     6.1876     6.0000    -0.1876     3.9612     3.6497     0.3115
  2   0     6.2223     6.0000    -0.2223     3.9958     3.6705     0.3253
  3   0     6.2158     6.0000    -0.2158     4.0105     3.6988     0.3117
  4   0     6.2278     6.0000    -0.2278     3.9573     3.6399     0.3174
  5   0     0.8833     1.0000     0.1167     0.9748     0.9207     0.0541
  6   0     0.8819     1.0000     0.1181     0.9707     0.9222     0.0485
  7   0     0.8996     1.0000     0.1004     0.9806     0.9283     0.0523
  8   0     0.8820     1.0000     0.1180     0.9853     0.9369     0.0484
  9   0     0.8897     1.0000     0.1103     0.9749     0.9219     0.0530
 10   0     0.8766     1.0000     0.1234     0.9723     0.9215     0.0508
 11   0     0.8844     1.0000     0.1156     0.9743     0.9250     0.0493
 12   0     0.8864     1.0000     0.1136     0.9873     0.9383     0.0490
 13   0     0.9002     1.0000     0.0998     0.9752     0.9221     0.0531
 14   0     0.8818     1.0000     0.1182     0.9811     0.9318     0.0493
 15   0     6.1645     6.0000    -0.1645     3.9905     3.6931     0.2974
 16   0     6.2650     6.0000    -0.2650     3.9931     3.6759     0.3172
 17   0     6.1999     6.0000    -0.1999     3.9851     3.6627     0.3224
 18   0     6.2458     6.0000    -0.2458     3.9686     3.6365     0.3321
 19   0     6.2320     6.0000    -0.2320     3.9967     3.6817     0.3150
 20   0     0.8892     1.0000     0.1108     0.9793     0.9304     0.0489
 21   0     0.8961     1.0000     0.1039     0.9879     0.9420     0.0459
 22   0     0.8881     1.0000     0.1119     0.9724     0.9195     0.0529
 23   0     0.8861     1.0000     0.1139     0.9753     0.9252     0.0501
 24   0     0.8862     1.0000     0.1138     0.9780     0.9271     0.0509
 25   0     0.8875     1.0000     0.1125     0.9781     0.9244     0.0537
 26   0     0.8928     1.0000     0.1072     0.9771     0.9234     0.0537
 27   0     0.8889     1.0000     0.1111     0.9815     0.9288     0.0527
 28   0     0.8867     1.0000     0.1133     0.9777     0.9286     0.0491
 29   0     0.8913     1.0000     0.1087     0.9819     0.9306     0.0513
 30   0     6.1950     6.0000    -0.1950     3.9979     3.6737     0.3242
 31   0     6.2386     6.0000    -0.2386     3.9894     3.6654     0.3240
 32   0     6.2298     6.0000    -0.2298     3.9600     3.6438     0.3162
 33   0     6.2048     6.0000    -0.2048     3.9672     3.6607     0.3065
 34   0     6.2438     6.0000    -0.2438     3.9879     3.6673     0.3206
 35   0     0.8891     1.0000     0.1109     0.9816     0.9311     0.0505
 36   0     0.8798     1.0000     0.1202     0.9801     0.9282     0.0519
 37   0     0.8879     1.0000     0.1121     0.9770     0.9256     0.0514
 38   0     0.8878     1.0000     0.1122     0.9779     0.9255     0.0524
 39   0     0.8939     1.0000     0.1061     0.9775     0.9272     0.0503
 40   0     0.8906     1.0000     0.1094     0.9774     0.9276     0.0498
 41   0     0.8863     1.0000     0.1137     0.9764     0.9245     0.0519
 42   0     0.8931     1.0000     0.1069     0.9812     0.9351     0.0461
 43   0     0.8907     1.0000     0.1093     0.9769     0.9262     0.0507
 44   0     0.8888     1.0000     0.1112     0.9755     0.9238     0.0517
 45   0     6.2164     6.0000    -0.2164     3.9811     3.6500     0.3311
 46   0     6.2304     6.0000    -0.2304     3.9975     3.6756     0.3219
 47   0     6.2142     6.0000    -0.2142     3.9889     3.6712     0.3177
 48   0     6.2244     6.0000    -0.2244     3.9987     3.6736     0.3251
 49   0     6.2461     6.0000    -0.2461     4.0038     3.6807     0.3231
 50   0     0.8769     1.0000     0.1231     0.9757     0.9252     0.0505
 51   0     0.9017     1.0000     0.0983     0.9754     0.9187     0.0567
 52   0     0.8873     1.0000     0.1127     0.9759     0.9245     0.0514
 53   0     0.8914     1.0000     0.1086     0.9792     0.9281     0.0511
 54   0     0.8798     1.0000     0.1202     0.9803     0.9324     0.0479
 55   0     0.8905     1.0000     0.1095     0.9740     0.9216     0.0524
 56   0     0.8703     1.0000     0.1297     0.9732     0.9238     0.0494
 57   0     0.8999     1.0000     0.1001     0.9799     0.9226     0.0573
 58   0     0.8915     1.0000     0.1085     0.9832     0.9334     0.0498
 59   0     0.8824     1.0000     0.1176     0.9741     0.9238     0.0503
 60   0     6.2003     6.0000    -0.2003     3.9595     3.6427     0.3168
 61   0     6.2479     6.0000    -0.2479     3.9653     3.6428     0.3225
 62   0     6.2008     6.0000    -0.2008     3.9698     3.6517     0.3181
 63   0     6.2113     6.0000    -0.2113     3.9865     3.6696     0.3169
 64   0     6.2293     6.0000    -0.2293     3.9925     3.6768     0.3157
 65   0     0.8870     1.0000     0.1130     0.9793     0.9291     0.0502
 66   0     0.8917     1.0000     0.1083     0.9808     0.9289     0.0519
 67   0     0.8797     1.0000     0.1203     0.9846     0.9356     0.0490
 68   0     0.8943     1.0000     0.1057     0.9753     0.9220     0.0533
 69   0     0.9167     1.0000     0.0833     1.0022     0.9477     0.0545
 70   0     0.8883     1.0000     0.1117     0.9759     0.9248     0.0511
 71   0     0.8914     1.0000     0.1086     0.9811     0.9318     0.0493
 72   0     0.8820     1.0000     0.1180     0.9783     0.9261     0.0522
 73   0     0.8940     1.0000     0.1060     0.9771     0.9251     0.0520
 74   0     0.8881     1.0000     0.1119     0.9831     0.9353     0.0478
 75   0     6.2346     6.0000    -0.2346     3.9913     3.6648     0.3265
 76   0     6.2111     6.0000    -0.2111     3.9746     3.6583     0.3163
 77   0     6.2221     6.0000    -0.2221     3.9949     3.6811     0.3138
 78   0     6.2300     6.0000    -0.2300     3.9635     3.6412     0.3223
 79   0     6.2289     6.0000    -0.2289     3.9801     3.6571     0.3230
 80   0     0.8889     1.0000     0.1111     0.9749     0.9213     0.0536
 81   0     0.8806     1.0000     0.1194     0.9788     0.9279     0.0509
 82   0     0.8914     1.0000     0.1086     0.9789     0.9278     0.0511
 83   0     0.8889     1.0000     0.1111     0.9775     0.9272     0.0503
 84   0     0.8881     1.0000     0.1119     0.9771     0.9280     0.0491
 85   0     0.8906     1.0000     0.1094     0.9744     0.9230     0.0514
 86   0     0.8798     1.0000     0.1202     0.9804     0.9284     0.0520
 87   0     0.8972     1.0000     0.1028     0.9738     0.9188     0.0550
 88   0     0.8708     1.0000     0.1292     0.9739     0.9229     0.0510
 89   0     0.8930     1.0000     0.1070     0.9747     0.9221     0.0526
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.900797
                0             6               4            6                0.894141
                0             6               5            1                0.926999
                0             6               6            1                0.947892
                1             6               2            6                0.912757
                1             6               7            1                0.947944
                1             6               8            1                0.936430
                2             6               3            6                0.923989
                2             6               9            1                0.946804
                2             6              10            1                0.921089
                3             6               4            6                0.923127
                3             6              11            1                0.945315
                3             6              12            1                0.936654
                4             6              13            1                0.943731
                4             6              14            1                0.931349
               15             6              16            6                0.911944
               15             6              19            6                0.927738
               15             6              20            1                0.936485
               15             6              21            1                0.954438
               16             6              17            6                0.926300
               16             6              22            1                0.939619
               16             6              23            1                0.940835
               17             6              18            6                0.911234
               17             6              24            1                0.933957
               17             6              25            1                0.926935
               18             6              19            6                0.905623
               18             6              26            1                0.934648
               18             6              27            1                0.932584
               19             6              28            1                0.940612
               19             6              29            1                0.939144
               30             6              31            6                0.921469
               30             6              34            6                0.918736
               30             6              35            1                0.934822
               30             6              36            1                0.928954
               31             6              32            6                0.904196
               31             6              37            1                0.939213
               31             6              38            1                0.934198
               32             6              33            6                0.903359
               32             6              39            1                0.940456
               32             6              40            1                0.945817
               33             6              34            6                0.911198
               33             6              41            1                0.926424
               33             6              42            1                0.958797
               34             6              43            1                0.938172
               34             6              44            1                0.936182
               45             6              46            6                0.926674
               45             6              49            6                0.905653
               45             6              50            1                0.930629
               45             6              51            1                0.931097
               46             6              47            6                0.912520
               46             6              52            1                0.934932
               46             6              53            1                0.937261
               47             6              48            6                0.922739
               47             6              54            1                0.938946
               47             6              55            1                0.937736
               48             6              49            6                0.925730
               48             6              56            1                0.928784
               48             6              57            1                0.929329
               49             6              58            1                0.935664
               49             6              59            1                0.936505
               60             6              61            6                0.903844
               60             6              64            6                0.914776
               60             6              65            1                0.937761
               60             6              66            1                0.936794
               61             6              62            6                0.895276
               61             6              67            1                0.943407
               61             6              68            1                0.936107
               62             6              63            6                0.922006
               62             6              69            1                0.942573
               62             6              70            1                0.932693
               63             6              64            6                0.910073
               63             6              71            1                0.945523
               63             6              72            1                0.928983
               64             6              73            1                0.938682
               64             6              74            1                0.943579
               75             6              76            6                0.916630
               75             6              79            6                0.912686
               75             6              80            1                0.936697
               75             6              81            1                0.932569
               76             6              77            6                0.909749
               76             6              82            1                0.938694
               76             6              83            1                0.939743
               77             6              78            6                0.916803
               77             6              84            1                0.946785
               77             6              85            1                0.935111
               78             6              79            6                0.901349
               78             6              86            1                0.940030
               78             6              87            1                0.933945
               79             6              88            1                0.925636
               79             6              89            1                0.944978
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2048055591
        Correlation Energy:       -5.0567089531
        Total MP2 Energy:      -1176.2615145123
# -----------------------------------------------------------
$ 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) :        0.3940331950
        Electronic Contribution:
                  0    
      0       0.240888
      1      -0.834489
      2      -0.537728
        Nuclear Contribution:
                  0    
      0      -0.305269
      1       0.867606
      2       0.674805
        Total Dipole moment:
                  0    
      0      -0.064381
      1       0.033117
      2       0.137077
# -----------------------------------------------------------
$ 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) :        0.3969906750
        Electronic Contribution:
                  0    
      0       0.240090
      1      -0.833195
      2      -0.537105
        Nuclear Contribution:
                  0    
      0      -0.305269
      1       0.867606
      2       0.674805
        Total Dipole moment:
                  0    
      0      -0.065179
      1       0.034411
      2       0.137700
# -----------------------------------------------------------
$ 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) :        0.3769327580
        Electronic Contribution:
                  0    
      0       0.244719
      1      -0.811480
      2      -0.551619
        Nuclear Contribution:
                  0    
      0      -0.305269
      1       0.867606
      2       0.674805
        Total Dipole moment:
                  0    
      0      -0.060549
      1       0.056126
      2       0.123185
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     17.350000000000   15.000000000000   20.030000000000
               1 C     18.860000000000   15.080000000000   19.840000000000
               2 C     19.330000000000   13.730000000000   19.290000000000
               3 C     18.210000000000   12.670000000000   19.640000000000
               4 C     16.970000000000   13.440000000000   19.970000000000
               5 H     16.710000000000   15.640000000000   19.330000000000
               6 H     16.970000000000   15.380000000000   20.920000000000
               7 H     19.400000000000   15.230000000000   20.780000000000
               8 H     19.040000000000   15.960000000000   19.270000000000
               9 H     20.220000000000   13.450000000000   19.900000000000
              10 H     19.670000000000   13.780000000000   18.230000000000
              11 H     18.530000000000   12.160000000000   20.530000000000
              12 H     18.040000000000   12.020000000000   18.810000000000
              13 H     16.750000000000   13.210000000000   21.020000000000
              14 H     16.100000000000   13.260000000000   19.390000000000
              15 C     11.850000000000   15.480000000000   21.690000000000
              16 C     11.280000000000   15.760000000000   20.320000000000
              17 C     12.300000000000   16.360000000000   19.350000000000
              18 C     13.650000000000   16.000000000000   20.080000000000
              19 C     13.300000000000   15.850000000000   21.630000000000
              20 H     11.790000000000   14.470000000000   22.050000000000
              21 H     11.320000000000   16.080000000000   22.290000000000
              22 H     10.360000000000   16.390000000000   20.320000000000
              23 H     10.820000000000   14.920000000000   19.860000000000
              24 H     12.210000000000   17.460000000000   19.230000000000
              25 H     12.400000000000   15.800000000000   18.360000000000
              26 H     14.300000000000   16.900000000000   19.910000000000
              27 H     14.130000000000   15.090000000000   19.660000000000
              28 H     13.550000000000   16.760000000000   22.130000000000
              29 H     13.960000000000   15.070000000000   22.020000000000
              30 C     22.810000000000   18.700000000000   18.190000000000
              31 C     22.930000000000   20.250000000000   17.850000000000
              32 C     21.590000000000   20.930000000000   18.280000000000
              33 C     20.600000000000   19.820000000000   18.680000000000
              34 C     21.230000000000   18.490000000000   18.340000000000
              35 H     23.230000000000   18.520000000000   19.180000000000
              36 H     23.230000000000   18.090000000000   17.330000000000
              37 H     23.000000000000   20.480000000000   16.780000000000
              38 H     23.770000000000   20.780000000000   18.370000000000
              39 H     21.220000000000   21.520000000000   17.460000000000
              40 H     21.750000000000   21.630000000000   19.080000000000
              41 H     19.570000000000   19.840000000000   18.250000000000
              42 H     20.490000000000   19.960000000000   19.660000000000
              43 H     20.880000000000   18.040000000000   17.410000000000
              44 H     20.890000000000   17.850000000000   19.160000000000
              45 C     17.220000000000    6.740000000000   20.200000000000
              46 C     18.520000000000    6.260000000000   19.450000000000
              47 C     18.800000000000    7.280000000000   18.280000000000
              48 C     17.490000000000    8.120000000000   18.160000000000
              49 C     16.770000000000    8.120000000000   19.550000000000
              50 H     17.290000000000    6.800000000000   21.300000000000
              51 H     16.400000000000    5.970000000000   19.890000000000
              52 H     18.380000000000    5.240000000000   19.050000000000
              53 H     19.350000000000    6.240000000000   20.160000000000
              54 H     19.090000000000    6.850000000000   17.360000000000
              55 H     19.650000000000    7.920000000000   18.620000000000
              56 H     16.910000000000    7.880000000000   17.270000000000
              57 H     17.880000000000    9.200000000000   17.990000000000
              58 H     15.700000000000    8.130000000000   19.560000000000
              59 H     17.100000000000    8.870000000000   20.260000000000
              60 C     19.680000000000   15.630000000000   24.830000000000
              61 C     19.200000000000   14.480000000000   23.860000000000
              62 C     20.480000000000   13.860000000000   23.240000000000
              63 C     21.650000000000   14.780000000000   23.550000000000
              64 C     21.150000000000   15.930000000000   24.510000000000
              65 H     19.520000000000   15.260000000000   25.840000000000
              66 H     19.120000000000   16.560000000000   24.610000000000
              67 H     18.470000000000   14.720000000000   23.140000000000
              68 H     18.690000000000   13.700000000000   24.480000000000
              69 H     20.260000000000   13.700000000000   22.160000000000
              70 H     20.670000000000   12.870000000000   23.680000000000
              71 H     21.890000000000   15.240000000000   22.630000000000
              72 H     22.550000000000   14.330000000000   24.070000000000
              73 H     21.150000000000   16.910000000000   23.990000000000
              74 H     21.740000000000   15.970000000000   25.370000000000
              75 C     12.010000000000   10.510000000000   17.900000000000
              76 C     11.950000000000    9.730000000000   19.270000000000
              77 C     13.270000000000    9.990000000000   20.030000000000
              78 C     14.130000000000   10.850000000000   19.130000000000
              79 C     13.520000000000   11.030000000000   17.730000000000
              80 H     11.350000000000   11.430000000000   17.970000000000
              81 H     11.680000000000    9.920000000000   17.030000000000
              82 H     11.820000000000    8.660000000000   19.090000000000
              83 H     11.100000000000   10.060000000000   19.850000000000
              84 H     13.700000000000    9.060000000000   20.300000000000
              85 H     13.050000000000   10.510000000000   20.980000000000
              86 H     15.140000000000   10.410000000000   19.210000000000
              87 H     14.300000000000   11.870000000000   19.620000000000
              88 H     14.120000000000   10.690000000000   16.860000000000
              89 H     13.450000000000   12.110000000000   17.550000000000
