PM7 Accuracy

octadecane    388 Octadecane

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    #  Species Formula
   378 UndecylcyclohexaneC17H34
   379 HeptadecaneC17H36
   380 p-TerphenylC18H14
   381 2,5-Diphenyl-1,5-hexadieneC18H18
   382 3,4,5,6-TetramethylphenanthreneC18H18
   383 [3.3]ParacyclophaneC18H20
   384 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   385 DodecylcyclohexaneC18H36
   386 n-TridecylcyclopentaneC18H36
   387 1,1,2,2-Tetra-t-butylethaneC18H38
   388 Octadecane C18H38
   389 TriphenylboraneH15BC18
   390 TricyclohexylboraneH33BC18
   391 Tri-n-hexylboraneH39BC18
   392 2,6-Diphenyl-1,6-heptadieneC19H20
   393 n-TetradecylcyclopentaneC19H38
   394 n-TridecylcyclohexaneC19H38
   395 NonadecaneC19H40
   396 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14
   397 3,9-Dimethylbenz[a]anthraceneC20H16
   398 5,6-Dimethyl chryseneC20H16


DHf: -99.1 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
Octadecane
 H=-99.08 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52877101  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53454290  1  110.9543897  1    0.0000000  0     2     1     0
  C     1.53384388  1  110.7243746  1 -179.5086195  1     3     2     1
  C     1.53395580  1  110.7512243  1 -179.4747205  1     4     3     2
  C     1.53399905  1  110.6432056  1 -179.5015166  1     5     4     3
  C     1.53393440  1  110.7378057  1 -179.4905147  1     6     5     4
  C     1.53393689  1  110.6470729  1 -179.5329787  1     7     6     5
  C     1.53393059  1  110.7411158  1 -179.5204461  1     8     7     6
  C     1.53394328  1  110.6511420  1 -179.5780390  1     9     8     7
  C     1.53393276  1  110.7370318  1 -179.5678615  1    10     9     8
  C     1.53393458  1  110.6556342  1 -179.6371361  1    11    10     9
  C     1.53393758  1  110.7303418  1 -179.6275195  1    12    11    10
  C     1.53399451  1  110.6566685  1 -179.7080077  1    13    12    11
  C     1.53396229  1  110.7213605  1 -179.6976304  1    14    13    12
  C     1.53383400  1  110.6753112  1 -179.7841547  1    15    14    13
  C     1.53456797  1  110.7951637  1 -179.7800472  1    16    15    14
  C     1.52881629  1  110.8853901  1 -179.8792884  1    17    16    15
  H     1.09544573  1  111.2442450  1 -179.9211329  1     1     2     3
  H     1.09564784  1  111.4307300  1   60.1335453  1     1     2     3
  H     1.09565597  1  111.4385223  1  -59.9583889  1     1     2     3
  H     1.10634568  1  109.9456806  1   58.1993976  1     2     1    19
  H     1.10632789  1  109.9691621  1  -58.0201881  1     2     1    19
  H     1.10562182  1  110.0006439  1   58.5465819  1     3     2     1
  H     1.10585005  1  109.9370114  1  -57.6705500  1     3     2     1
  H     1.10577557  1  110.0320610  1   58.6620639  1     4     3     2
  H     1.10602173  1  109.9911856  1  -57.6714197  1     4     3     2
  H     1.10574865  1  110.0535207  1   58.6292796  1     5     4     3
  H     1.10595962  1  110.0016353  1  -57.7285848  1     5     4     3
  H     1.10580138  1  110.0255541  1   58.6504194  1     6     5     4
  H     1.10602752  1  109.9906906  1  -57.6834793  1     6     5     4
  H     1.10576484  1  110.0596698  1   58.6068170  1     7     6     5
  H     1.10595536  1  110.0133248  1  -57.7596934  1     7     6     5
  H     1.10581527  1  110.0284320  1   58.6224904  1     8     7     6
  H     1.10601903  1  109.9984210  1  -57.7099598  1     8     7     6
  H     1.10577713  1  110.0555823  1   58.5661702  1     9     8     7
  H     1.10593835  1  110.0161745  1  -57.8004710  1     9     8     7
  H     1.10582976  1  110.0249830  1   58.5805713  1    10     9     8
  H     1.10600046  1  110.0026583  1  -57.7528111  1    10     9     8
  H     1.10579570  1  110.0499641  1   58.5108775  1    11    10     9
  H     1.10592237  1  110.0180446  1  -57.8535592  1    11    10     9
  H     1.10584771  1  110.0238909  1   58.5272544  1    12    11    10
  H     1.10598148  1  110.0091966  1  -57.8085566  1    12    11    10
  H     1.10581244  1  110.0489888  1   58.4522166  1    13    12    11
  H     1.10590593  1  110.0244304  1  -57.9232019  1    13    12    11
  H     1.10585708  1  110.0308292  1   58.4707406  1    14    13    12
  H     1.10595135  1  110.0256792  1  -57.8804642  1    14    13    12
  H     1.10582289  1  110.0330059  1   58.3761042  1    15    14    13
  H     1.10587344  1  110.0200365  1  -57.9831591  1    15    14    13
  H     1.10575686  1  110.0705310  1   58.3895804  1    16    15    14
  H     1.10579658  1  110.0792186  1  -57.9449417  1    16    15    14
  H     1.10628696  1  109.9912659  1   58.2469157  1    17    16    15
  H     1.10628980  1  109.9875761  1  -58.0221885  1    17    16    15
  H     1.09546815  1  111.2586044  1 -179.8557361  1    18    17    16
  H     1.09565979  1  111.4205436  1   60.1928803  1    18    17    16
  H     1.09565320  1  111.4379788  1  -59.8890852  1    18    17    16