PM7 Accuracy

eicosane    405 Eicosane

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    #  Species Formula
   395 NonadecaneC19H40
   396 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14
   397 3,9-Dimethylbenz[a]anthraceneC20H16
   398 5,6-Dimethyl chryseneC20H16
   399 9,10-Dimethyl-1,2-benzanthraceneC20H16
   400 1,3,5-Tri-tert-butyl pentaleneC20H30
   401 HexacyclopropylethaneC20H30
   402 Tetra-tert-butyltetrahedraneC20H36
   403 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   404 TetradecylcyclohexaneC20H40
   405 Eicosane C20H42
   406 1,8-ParacyclophaneC21H26
   407 HexadecylcyclopentaneC21H42
   408 PentadecylcyclohexaneC21H42
   409 Tri-n-heptylboraneH45BC21
   410 1,1'-Diphenyl-1,1'-bicyclopentylC22H26
   411 DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   412 Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   413 n-HexadecylcyclohexaneC22H44
   414 p-QuaterphenylC24H18
   415 1,1'-Diphenyl-1,1'-bicyclohexylC24H30


DHf: -108.9 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
Eicosane
 H=-108.93 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52869221  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53457413  1  111.0593793  1    0.0000000  0     2     1     0
  C     1.53387006  1  110.6192488  1 -179.4230523  1     3     2     1
  C     1.53401243  1  110.8526485  1 -179.3725474  1     4     3     2
  C     1.53401843  1  110.5434292  1 -179.3786956  1     5     4     3
  C     1.53398198  1  110.8339916  1 -179.3693579  1     6     5     4
  C     1.53396292  1  110.5545003  1 -179.4123115  1     7     6     5
  C     1.53397754  1  110.8277843  1 -179.3887628  1     8     7     6
  C     1.53397005  1  110.5684787  1 -179.4585485  1     9     8     7
  C     1.53397087  1  110.8135434  1 -179.4220155  1    10     9     8
  C     1.53397356  1  110.5837273  1 -179.5165939  1    11    10     9
  C     1.53397138  1  110.7965757  1 -179.4728167  1    12    11    10
  C     1.53396553  1  110.6011476  1 -179.5835725  1    13    12    11
  C     1.53397118  1  110.7773754  1 -179.5402250  1    14    13    12
  C     1.53403056  1  110.6154431  1 -179.6592574  1    15    14    13
  C     1.53398720  1  110.7541147  1 -179.6249646  1    16    15    14
  C     1.53387892  1  110.6488084  1 -179.7411768  1    17    16    15
  C     1.53458587  1  110.8140064  1 -179.7219387  1    18    17    16
  C     1.52882553  1  110.8737355  1 -179.8464137  1    19    18    17
  H     1.09544292  1  111.2381439  1 -179.8936065  1     1     2     3
  H     1.09564831  1  111.4316472  1   60.1586647  1     1     2     3
  H     1.09565694  1  111.4389480  1  -59.9293799  1     1     2     3
  H     1.10643188  1  109.9093493  1   58.2069119  1     2     1    21
  H     1.10639414  1  109.9410813  1  -57.9656851  1     2     1    21
  H     1.10566208  1  109.9895380  1   58.6957127  1     3     2     1
  H     1.10562390  1  110.0050108  1  -57.5652211  1     3     2     1
  H     1.10596654  1  109.9683402  1   58.7757705  1     4     3     2
  H     1.10596062  1  110.0030390  1  -57.5222993  1     4     3     2
  H     1.10578512  1  110.0437581  1   58.8126297  1     5     4     3
  H     1.10573436  1  110.0612942  1  -57.5858559  1     5     4     3
  H     1.10597718  1  109.9683349  1   58.7787482  1     6     5     4
  H     1.10597602  1  109.9998892  1  -57.5216807  1     6     5     4
  H     1.10579789  1  110.0514951  1   58.7843641  1     7     6     5
  H     1.10574737  1  110.0684542  1  -57.6200546  1     7     6     5
  H     1.10596869  1  109.9766974  1   58.7595863  1     8     7     6
  H     1.10597322  1  110.0061428  1  -57.5429776  1     8     7     6
  H     1.10580555  1  110.0491715  1   58.7383647  1     9     8     7
  H     1.10575347  1  110.0650872  1  -57.6629588  1     9     8     7
  H     1.10595842  1  109.9812349  1   58.7272989  1    10     9     8
  H     1.10596717  1  110.0078835  1  -57.5792899  1    10     9     8
  H     1.10581426  1  110.0461440  1   58.6786993  1    11    10     9
  H     1.10576480  1  110.0603861  1  -57.7168888  1    11    10     9
  H     1.10594577  1  109.9866559  1   58.6800631  1    12    11    10
  H     1.10595477  1  110.0104584  1  -57.6327967  1    12    11    10
  H     1.10582412  1  110.0425641  1   58.6091729  1    13    12    11
  H     1.10577921  1  110.0540781  1  -57.7793059  1    13    12    11
  H     1.10593304  1  109.9948841  1   58.6165735  1    14    13    12
  H     1.10594621  1  110.0143616  1  -57.7032262  1    14    13    12
  H     1.10583454  1  110.0438569  1   58.5365948  1    15    14    13
  H     1.10579274  1  110.0522845  1  -57.8579980  1    15    14    13
  H     1.10591095  1  110.0117221  1   58.5447202  1    16    15    14
  H     1.10592527  1  110.0272568  1  -57.7955439  1    16    15    14
  H     1.10582897  1  110.0317596  1   58.4425191  1    17    16    15
  H     1.10579781  1  110.0364683  1  -57.9306825  1    17    16    15
  H     1.10577372  1  110.0636359  1   58.4469936  1    18    17    16
  H     1.10578598  1  110.0750095  1  -57.8810693  1    18    17    16
  H     1.10627784  1  109.9950534  1   58.2869476  1    19    18    17
  H     1.10626438  1  109.9916943  1  -57.9895454  1    19    18    17
  H     1.09546977  1  111.2594458  1 -179.8198590  1    20    19    18
  H     1.09564852  1  111.4246134  1   60.2244927  1    20    19    18
  H     1.09566191  1  111.4314342  1  -59.8573101  1    20    19    18