PM7 Accuracy

2,4-dimethyl pentane    222 2,4-Dimethyl pentane

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    #  Species Formula
   212 1,1-Dimethyl cyclopentaneC7H14
   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 pentane C7H16
   223 2-Methyl hexaneC7H16
   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


DHf: -48.3 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
2,4-Dimethyl pentane
 HR=NIST H=-48.30
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53311532  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54239205  1  111.5816267  1    0.0000000  0     2     1     0
  C     1.54214300  1  113.1094817  1  -87.4823748  1     3     2     1
  C     1.53334420  1  111.5623823  1   88.0720329  1     4     3     2
  C     1.53669495  1  109.2683664  1  121.5454943  1     2     1     3
  C     1.53657917  1  109.7761564  1  121.3007539  1     4     3     5
  H     1.09504831  1  111.4461306  1  -62.0043356  1     1     2     3
  H     1.09479274  1  111.5659163  1  120.4312280  1     1     2     8
  H     1.09556023  1  111.0292229  1  119.7625720  1     1     2     9
  H     1.11656653  1  108.7732387  1  118.2167463  1     2     1     6
  H     1.10393366  1  110.1496679  1  123.7969627  1     3     2     4
  H     1.10759297  1  108.9423953  1  114.7953258  1     3     2    12
  H     1.11665184  1  109.0374284  1  118.6310975  1     4     3     7
  H     1.09486390  1  111.5255987  1  -57.3852310  1     5     4     3
  H     1.09535395  1  111.3638360  1  120.0220953  1     5     4    15
  H     1.09513939  1  111.1855450  1  119.9320978  1     5     4    16
  H     1.09488154  1  111.3762507  1  175.1790419  1     6     2     1
  H     1.09502393  1  111.3317416  1  120.3282676  1     6     2    18
  H     1.09509398  1  111.1886198  1  119.8851831  1     6     2    19
  H     1.09502182  1  111.3248355  1  -58.6204400  1     7     4     3
  H     1.09478925  1  111.3976781  1  120.3255958  1     7     4    21
  H     1.09515049  1  111.1517772  1  119.8179819  1     7     4    22