PM7 Accuracy

dotriacontane    430 Dotriacontane

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    #  Species Formula
   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 heneicosaneC31H64
   429 2,4,5,7-Tetramethyl-4,5-bis(4-t-butylphenyl) octaneC32H50
   430 Dotriacontane C32H66
   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
   439 Ammonium, cationH4N
   440 LiNH2H2LiN


DHf: -166.5 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.
  
 PM7
Dotriacontane
 H=-166.5 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52868939  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53456890  1  110.9883092  1    0.0000000  0     2     1     0
  C     1.53382705  1  110.7050930  1 -179.7188828  1     3     2     1
  C     1.53398622  1  110.7853094  1 -179.8084078  1     4     3     2
  C     1.53397681  1  110.6255415  1 -179.7134791  1     5     4     3
  C     1.53396102  1  110.7716806  1 -179.8115451  1     6     5     4
  C     1.53391819  1  110.6307644  1 -179.7167176  1     7     6     5
  C     1.53395664  1  110.7727075  1 -179.8118475  1     8     7     6
  C     1.53392512  1  110.6357864  1 -179.7228205  1     9     8     7
  C     1.53395325  1  110.7680027  1 -179.8140191  1    10     9     8
  C     1.53392588  1  110.6404297  1 -179.7311686  1    11    10     9
  C     1.53395266  1  110.7624947  1 -179.8195691  1    12    11    10
  C     1.53392632  1  110.6455534  1 -179.7433198  1    13    12    11
  C     1.53395128  1  110.7570710  1 -179.8254743  1    14    13    12
  C     1.53392727  1  110.6510132  1 -179.7543789  1    15    14    13
  C     1.53395020  1  110.7513630  1 -179.8319639  1    16    15    14
  C     1.53392819  1  110.6566193  1 -179.7680921  1    17    16    15
  C     1.53394986  1  110.7457461  1 -179.8405062  1    18    17    16
  C     1.53392916  1  110.6623171  1 -179.7839178  1    19    18    17
  C     1.53394830  1  110.7399628  1 -179.8500277  1    20    19    18
  C     1.53393083  1  110.6681129  1 -179.7989275  1    21    20    19
  C     1.53394796  1  110.7342717  1 -179.8590704  1    22    21    20
  C     1.53393048  1  110.6739708  1 -179.8181353  1    23    22    21
  C     1.53394900  1  110.7293619  1 -179.8683512  1    24    23    22
  C     1.53392602  1  110.6793225  1 -179.8379473  1    25    24    23
  C     1.53395116  1  110.7230311  1 -179.8780892  1    26    25    24
  C     1.53398473  1  110.6799765  1 -179.8647039  1    27    26    25
  C     1.53397674  1  110.7155196  1 -179.8914062  1    28    27    26
  C     1.53383079  1  110.6962020  1 -179.8925980  1    29    28    27
  C     1.53457818  1  110.7931890  1 -179.8921887  1    30    29    28
  C     1.52879190  1  110.9003335  1 -179.9229117  1    31    30    29
  H     1.09544660  1  111.2428455  1 -179.9044124  1     1     2     3
  H     1.09564895  1  111.4326781  1   60.1483742  1     1     2     3
  H     1.09565958  1  111.4411429  1  -59.9433140  1     1     2     3
  H     1.10637681  1  109.9376185  1   58.2107356  1     2     1    33
  H     1.10635889  1  109.9602539  1  -57.9991749  1     2     1    33
  H     1.10575772  1  109.9609655  1   58.3958316  1     3     2     1
  H     1.10567771  1  109.9895218  1  -57.8335626  1     3     2     1
  H     1.10596240  1  109.9833658  1   58.3783263  1     4     3     2
  H     1.10587971  1  110.0312723  1  -57.9485442  1     4     3     2
  H     1.10587452  1  110.0195949  1   58.4680113  1     5     4     3
  H     1.10579632  1  110.0453509  1  -57.9012290  1     5     4     3
  H     1.10597671  1  109.9810622  1   58.3725316  1     6     5     4
  H     1.10589670  1  110.0274921  1  -57.9543842  1     6     5     4
  H     1.10588320  1  110.0284911  1   58.4675097  1     7     6     5
  H     1.10580466  1  110.0538414  1  -57.9097029  1     7     6     5
  H     1.10597597  1  109.9871713  1   58.3692732  1     8     7     6
  H     1.10589835  1  110.0322860  1  -57.9569859  1     8     7     6
  H     1.10588268  1  110.0284040  1   58.4609437  1     9     8     7
  H     1.10580621  1  110.0526517  1  -57.9164422  1     9     8     7
  H     1.10597226  1  109.9883460  1   58.3657895  1    10     9     8
  H     1.10589732  1  110.0322019  1  -57.9614192  1    10     9     8
  H     1.10588384  1  110.0283483  1   58.4512307  1    11    10     9
  H     1.10581137  1  110.0508190  1  -57.9247128  1    11    10     9
  H     1.10596662  1  109.9904893  1   58.3592812  1    12    11    10
  H     1.10589810  1  110.0320318  1  -57.9697027  1    12    11    10
  H     1.10588493  1  110.0282385  1   58.4384340  1    13    12    11
  H     1.10581673  1  110.0489177  1  -57.9361754  1    13    12    11
  H     1.10596098  1  109.9926708  1   58.3531102  1    14    13    12
  H     1.10589789  1  110.0322173  1  -57.9775033  1    14    13    12
  H     1.10588601  1  110.0283061  1   58.4264993  1    15    14    13
  H     1.10582215  1  110.0468609  1  -57.9465728  1    15    14    13
  H     1.10595474  1  109.9950475  1   58.3463568  1    16    15    14
  H     1.10589767  1  110.0320885  1  -57.9859812  1    16    15    14
  H     1.10588707  1  110.0283994  1   58.4113202  1    17    16    15
  H     1.10582762  1  110.0446113  1  -57.9601504  1    17    16    15
  H     1.10594773  1  109.9976923  1   58.3373635  1    18    17    16
  H     1.10589759  1  110.0318883  1  -57.9968861  1    18    17    16
  H     1.10588697  1  110.0287810  1   58.3933982  1    19    18    17
  H     1.10583498  1  110.0417860  1  -57.9761265  1    19    18    17
  H     1.10593969  1  110.0004665  1   58.3269786  1    20    19    18
  H     1.10589841  1  110.0316298  1  -58.0091761  1    20    19    18
  H     1.10588797  1  110.0288987  1   58.3767750  1    21    20    19
  H     1.10584130  1  110.0393978  1  -57.9908464  1    21    20    19
  H     1.10593193  1  110.0034899  1   58.3175514  1    22    21    20
  H     1.10589707  1  110.0313376  1  -58.0208303  1    22    21    20
  H     1.10588719  1  110.0290666  1   58.3558634  1    23    22    21
  H     1.10584796  1  110.0361598  1  -58.0093803  1    23    22    21
  H     1.10592420  1  110.0065383  1   58.3080604  1    24    23    22
  H     1.10589813  1  110.0307272  1  -58.0318203  1    24    23    22
  H     1.10588636  1  110.0289259  1   58.3343249  1    25    24    23
  H     1.10585527  1  110.0326546  1  -58.0282720  1    25    24    23
  H     1.10591684  1  110.0112612  1   58.2990329  1    26    25    24
  H     1.10590061  1  110.0313965  1  -58.0434472  1    26    25    24
  H     1.10588510  1  110.0332742  1   58.3124189  1    27    26    25
  H     1.10586142  1  110.0337508  1  -58.0602084  1    27    26    25
  H     1.10590142  1  110.0246440  1   58.2924553  1    28    27    26
  H     1.10589356  1  110.0407159  1  -58.0654933  1    28    27    26
  H     1.10586811  1  110.0252232  1   58.2765354  1    29    28    27
  H     1.10585260  1  110.0221511  1  -58.0806092  1    29    28    27
  H     1.10577257  1  110.0731380  1   58.2817259  1    30    29    28
  H     1.10577436  1  110.0845028  1  -58.0581507  1    30    29    28
  H     1.10630979  1  109.9936282  1   58.2010070  1    31    30    29
  H     1.10630688  1  109.9850356  1  -58.0665027  1    31    30    29
  H     1.09546935  1  111.2579108  1 -179.8867877  1    32    31    30
  H     1.09564981  1  111.4291796  1   60.1584660  1    32    31    30
  H     1.09567132  1  111.4345314  1  -59.9244516  1    32    31    30