PM7 Accuracy

2-methyl heptane    259 2-Methyl heptane

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    #  Species Formula
   249 2,2,3,3-Tetramethyl butaneC8H18
   250 2,2,3,3-TetramethylbutaneC8H18
   251 2,2,3-Trimethyl pentaneC8H18
   252 2,2,4-Trimethyl pentaneC8H18
   253 2,2-Dimethyl hexaneC8H18
   254 2,3,3-Trimethyl pentaneC8H18
   255 2,3,4-Trimethyl pentaneC8H18
   256 2,3-Dimethyl hexaneC8H18
   257 2,4-Dimethyl hexaneC8H18
   258 2,5-Dimethyl hexaneC8H18
   259 2-Methyl heptane C8H18
   260 3,3-Dimethyl hexaneC8H18
   261 3,4-Dimethyl hexaneC8H18
   262 3-Ethyl hexaneC8H18
   263 3-Ethyl-2-methyl pentaneC8H18
   264 3-Ethyl-3-methyl pentaneC8H18
   265 3-Methyl heptaneC8H18
   266 4-Methyl heptaneC8H18
   267 n-OctaneC8H18
   268 Li(I)4(Et)4 (ETHYLI) (Geo)C8H20Li4
   269 Li(I)4(Et)4 (ETHYLI)C8H20Li4


DHf: -51.5 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
2-Methyl heptane
 HR=NIST H=-51.50
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52910662  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53435943  1  110.9446230  1    0.0000000  0     2     1     0
  C     1.53383479  1  110.7353514  1  179.7273988  1     3     2     1
  C     1.53358595  1  110.6618577  1  179.4349180  1     4     3     2
  C     1.54054692  1  111.7097148  1  177.1724485  1     5     4     3
  C     1.53325502  1  111.1011985  1   72.3328816  1     6     5     4
  C     1.53492823  1  109.6512367  1  121.4962948  1     6     5     7
  H     1.09557877  1  111.4538966  1  -59.8195848  1     1     2     3
  H     1.09560648  1  111.4366218  1  120.1049603  1     1     2     9
  H     1.09546903  1  111.2215893  1  119.9392327  1     1     2    10
  H     1.10636186  1  109.9148295  1  121.9996632  1     2     1     3
  H     1.10639887  1  109.9118874  1  116.0863206  1     2     1    12
  H     1.10585996  1  109.9274675  1  121.9683066  1     3     2     4
  H     1.10589408  1  109.9376007  1  116.0899598  1     3     2    14
  H     1.10595498  1  109.9581017  1  121.9417908  1     4     3     5
  H     1.10591525  1  109.9219799  1  116.1746111  1     4     3    16
  H     1.10521021  1  110.1138689  1  122.5860501  1     5     4     6
  H     1.10669856  1  109.4835309  1  115.8199014  1     5     4    18
  H     1.11667657  1  108.7361564  1  118.7416315  1     6     5     8
  H     1.09526838  1  111.3701052  1  -61.1429345  1     7     6     5
  H     1.09506783  1  111.4780207  1  120.0945276  1     7     6    21
  H     1.09513503  1  111.2243634  1  120.0504413  1     7     6    22
  H     1.09504417  1  111.4098704  1  -60.8957660  1     8     6     5
  H     1.09494155  1  111.4264532  1  120.3227211  1     8     6    24
  H     1.09523032  1  111.1577474  1  119.8460667  1     8     6    25