PM7 Accuracy

2-methyl hexane    223 2-Methyl hexane

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    #  Species Formula
   213 1,2-cis-Dimethyl cyclopentaneC7H14
   214 1,2-trans-Dimethyl cyclopentaneC7H14
   215 1,3-cis-Dimethyl cyclopentaneC7H14
   216 1-HepteneC7H14
   217 Ethyl cyclopentaneC7H14
   218 Methyl-cyclohexaneC7H14
   219 2,2,3-Trimethyl butaneC7H16
   220 2,2-Dimethyl pentaneC7H16
   221 2,3-Dimethyl pentaneC7H16
   222 2,4-Dimethyl pentaneC7H16
   223 2-Methyl hexane C7H16
   224 3,3-Dimethyl pentaneC7H16
   225 3-Ethyl pentaneC7H16
   226 3-Methyl hexaneC7H16
   227 n-HeptaneC7H16
   228 CubaneC8H8
   229 CyclooctatetraeneC8H8
   230 StyreneC8H8
   231 EthylbenzeneC8H10
   232 m-XyleneC8H10
   233 o-XyleneC8H10


DHf: -46.6 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 hexane
 HR=NIST H=-46.60
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53372644  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54050148  1  111.0750468  1    0.0000000  0     2     1     0
  C     1.53361246  1  111.7212070  1  -72.7466900  1     3     2     1
  C     1.53458420  1  110.7295039  1 -177.1362187  1     4     3     2
  C     1.52852205  1  110.8439219  1 -179.5374074  1     5     4     3
  C     1.53481863  1  109.7444869  1  121.4408446  1     2     1     3
  H     1.09517078  1  111.4491638  1  -59.4016276  1     1     2     3
  H     1.09523555  1  111.3361613  1  119.9833413  1     1     2     8
  H     1.09497549  1  111.2583574  1  119.9332171  1     1     2     9
  H     1.11666094  1  108.7157531  1  118.7900738  1     2     1     7
  H     1.10509545  1  109.9394329  1  122.7183586  1     3     2     4
  H     1.10674745  1  109.5213169  1  115.7335189  1     3     2    12
  H     1.10574153  1  110.0900951  1  121.9333793  1     4     3     5
  H     1.10589677  1  110.1198654  1  116.2765515  1     4     3    14
  H     1.10631020  1  109.9080210  1  121.9589055  1     5     4     6
  H     1.10633046  1  109.9546893  1  116.1390727  1     5     4    16
  H     1.09561997  1  111.4362595  1  -59.8122600  1     6     5     4
  H     1.09563956  1  111.4310253  1  120.1141781  1     6     5    18
  H     1.09556445  1  111.2156969  1  119.9429683  1     6     5    19
  H     1.09495939  1  111.4097558  1  177.2670643  1     7     2     1
  H     1.09509495  1  111.4054486  1  120.2867805  1     7     2    21
  H     1.09522300  1  111.1688634  1  119.8660750  1     7     2    22