PM7 Accuracy

11-decyl heneicosane    428 11-Decyl heneicosane

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    #  Species Formula
   418 TetraphenylmethaneC25H20
   419 9,9'-Bi-9H-fluoreneC26H18
   420 1,1,1,2-TetraphenylethaneC26H22
   421 1,1,2,2-TetraphenylethaneC26H22
   422 Pentacyclo hexacosa nonaneC26H26
   423 2,3-Dimethyl-2,3-bis(4-t-butylphenyl)butaneC26H38
   424 11-n-butyl docosaneC26H54
   425 5-n-butyl docosaneC26H54
   426 9,9'-Dimethyl-9,9'-bifluoreneC28H22
   427 1,1-Diphenyl-1,1-bicyclooctylC28H38
   428 11-Decyl heneicosane C31H64
   429 2,4,5,7-Tetramethyl-4,5-bis(4-t-butylphenyl) octaneC32H50
   430 DotriacontaneC32H66
   431 4,5-Dipropyl-4,5-bis(4-t-butylphenyl) octaneC34H54
   432 5,6-Dibutyl-5,6-bis(4-t-butylphenyl) decaneC38H62
   433 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decaneC38H62
   434 Nitrogen, cationN
   435 Nitrogen, atomN
   436 AmidogenH2N
   437 AmmoniaH3N
   438 Ammonia (Geo)H3N


DHf: -167.3 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 INT PM7
11-Decyl heneicosane
 H=-167.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54143051  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53382501  1  111.6816845  1    0.0000000  0     2     1     0
  C     1.53402227  1  110.5654679  1  177.8578083  1     3     2     1
  C     1.53400505  1  110.6518651  1  179.2574383  1     4     3     2
  C     1.53392608  1  110.6719264  1  179.5170090  1     5     4     3
  C     1.53406767  1  110.7033804  1  179.8944494  1     6     5     4
  C     1.53404008  1  110.6691474  1  179.7540263  1     7     6     5
  C     1.53391806  1  110.7032978  1  179.9629623  1     8     7     6
  C     1.53468143  1  110.7559074  1  179.8146392  1     9     8     7
  C     1.52880185  1  110.8919242  1  179.9678957  1    10     9     8
  C     1.54107955  1  110.1988548  1  -75.9675162  1     1     2     3
  C     1.53382072  1  111.6020994  1  162.3674324  1    12     1     2
  C     1.53400827  1  110.6348574  1  178.4246186  1    13    12     1
  C     1.53400679  1  110.5884892  1  179.8546141  1    14    13    12
  C     1.53391655  1  110.7277051  1 -179.9602114  1    15    14    13
  C     1.53406693  1  110.6560218  1 -179.6197000  1    16    15    14
  C     1.53402904  1  110.7106023  1 -179.7703496  1    17    16    15
  C     1.53392025  1  110.6714527  1 -179.7003071  1    18    17    16
  C     1.53466639  1  110.7810313  1 -179.7942004  1    19    18    17
  C     1.52881210  1  110.8765105  1 -179.8484401  1    20    19    18
  C     1.54153146  1  109.9601006  1  162.5432962  1     1     2     3
  C     1.53390800  1  111.6618880  1  -76.4658674  1    22     1     2
  C     1.53394349  1  110.5648976  1  177.6399254  1    23    22     1
  C     1.53402125  1  110.6538399  1  179.0744741  1    24    23    22
  C     1.53387543  1  110.6675575  1  179.4131542  1    25    24    23
  C     1.53406662  1  110.7033071  1  179.7922009  1    26    25    24
  C     1.53400745  1  110.6667615  1  179.6872259  1    27    26    25
  C     1.53391299  1  110.7017068  1  179.8943834  1    28    27    26
  C     1.53464772  1  110.7543834  1  179.7680799  1    29    28    27
  C     1.52879232  1  110.8895925  1  179.9120744  1    30    29    28
  H     1.11527575  1  108.8336641  1   43.3981941  1     1     2     3
  H     1.10675875  1  109.8335059  1 -121.5235630  1     2     1     3
  H     1.10520162  1  109.9131427  1  122.7384867  1     2     1     3
  H     1.10597748  1  110.3600518  1   55.9873084  1     3     2     1
  H     1.10592867  1  109.9583996  1  -60.3863022  1     3     2     1
  H     1.10578897  1  110.0440176  1   57.4320461  1     4     3     2
  H     1.10582751  1  110.0094183  1  -58.9394115  1     4     3     2
  H     1.10588210  1  110.0340167  1   57.7068074  1     5     4     3
  H     1.10581230  1  110.0244913  1  -58.6663403  1     5     4     3
  H     1.10583572  1  110.0227341  1   58.0799770  1     6     5     4
  H     1.10584924  1  110.0242949  1  -58.2768131  1     6     5     4
  H     1.10585013  1  110.0347755  1   57.9468709  1     7     6     5
  H     1.10580790  1  110.0293119  1  -58.4347398  1     7     6     5
  H     1.10583340  1  110.0065197  1   58.1453466  1     8     7     6
  H     1.10583505  1  110.0101839  1  -58.2038140  1     8     7     6
  H     1.10573142  1  110.0784546  1   57.9957485  1     9     8     7
  H     1.10569817  1  110.0728489  1  -58.3665116  1     9     8     7
  H     1.10625910  1  109.9709797  1   58.1081240  1    10     9     8
  H     1.10626249  1  109.9757499  1  -58.1582892  1    10     9     8
  H     1.09549828  1  111.2392842  1  179.8324726  1    11    10     9
  H     1.09564273  1  111.4383846  1   59.8792965  1    11    10     9
  H     1.09562815  1  111.4293137  1  -60.2215184  1    11    10     9
  H     1.10696195  1  109.8314553  1   40.9440906  1    12     1     2
  H     1.10499160  1  109.9751110  1  -74.8212958  1    12     1     2
  H     1.10601957  1  110.3267325  1   56.5489619  1    13    12     1
  H     1.10595682  1  109.9549168  1  -59.7904218  1    13    12     1
  H     1.10577399  1  110.0636072  1   58.0061634  1    14    13    12
  H     1.10578603  1  110.0252678  1  -58.3983610  1    14    13    12
  H     1.10592108  1  109.9991958  1   58.2314880  1    15    14    13
  H     1.10581891  1  110.0307310  1  -58.1132683  1    15    14    13
  H     1.10583989  1  110.0368002  1   58.5499029  1    16    15    14
  H     1.10581905  1  110.0362903  1  -57.8329179  1    16    15    14
  H     1.10586492  1  110.0089390  1   58.4237826  1    17    16    15
  H     1.10581121  1  110.0355243  1  -57.9353074  1    17    16    15
  H     1.10585311  1  110.0188253  1   58.4682159  1    18    17    16
  H     1.10581674  1  110.0156203  1  -57.9012472  1    18    17    16
  H     1.10571845  1  110.0622767  1   58.3880677  1    19    18    17
  H     1.10570284  1  110.0771641  1  -57.9575937  1    19    18    17
  H     1.10628655  1  109.9815394  1   58.2808051  1    20    19    18
  H     1.10626385  1  109.9731352  1  -57.9984093  1    20    19    18
  H     1.09548516  1  111.2483427  1 -179.7973336  1    21    20    19
  H     1.09559643  1  111.4322786  1   60.2520711  1    21    20    19
  H     1.09562856  1  111.4345548  1  -59.8390833  1    21    20    19
  H     1.10686061  1  109.8532110  1  162.1331825  1    22     1     2
  H     1.10507230  1  109.9541039  1   46.3911746  1    22     1     2
  H     1.10594537  1  110.3710163  1   55.7530747  1    23    22     1
  H     1.10594714  1  109.9453414  1  -60.6196754  1    23    22     1
  H     1.10577346  1  110.0572915  1   57.2468711  1    24    23    22
  H     1.10587490  1  110.0113330  1  -59.1331024  1    24    23    22
  H     1.10584986  1  110.0407417  1   57.5972293  1    25    24    23
  H     1.10582505  1  110.0243327  1  -58.7788899  1    25    24    23
  H     1.10582707  1  110.0322611  1   57.9809053  1    26    25    24
  H     1.10588783  1  110.0278857  1  -58.3839831  1    26    25    24
  H     1.10582056  1  110.0415704  1   57.8776827  1    27    26    25
  H     1.10581784  1  110.0316855  1  -58.5079279  1    27    26    25
  H     1.10582964  1  110.0142963  1   58.0817095  1    28    27    26
  H     1.10586121  1  110.0151314  1  -58.2774777  1    28    27    26
  H     1.10571094  1  110.0846158  1   57.9467811  1    29    28    27
  H     1.10570843  1  110.0756392  1  -58.4179662  1    29    28    27
  H     1.10626439  1  109.9764052  1   58.0550843  1    30    29    28
  H     1.10627936  1  109.9813904  1  -58.2200561  1    30    29    28
  H     1.09547407  1  111.2360477  1  179.8071432  1    31    30    29
  H     1.09562958  1  111.4416042  1   59.8586800  1    31    30    29
  H     1.09561416  1  111.4377740  1  -60.2468665  1    31    30    29