Accuracy

3-methyl hexane    225 3-Methyl hexane

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    #  Species Formula
   215 1-HepteneC7H14
   216 Ethyl cyclopentaneC7H14
   217 Methyl-cyclohexaneC7H14
   218 2,2,3-Trimethyl butaneC7H16
   219 2,2-Dimethyl pentaneC7H16
   220 2,3-Dimethyl pentaneC7H16
   221 2,4-Dimethyl pentaneC7H16
   222 2-Methyl hexaneC7H16
   223 3,3-Dimethyl pentaneC7H16
   224 3-Ethyl pentaneC7H16
   225 3-Methyl hexane C7H16
   226 n-HeptaneC7H16
   227 CubaneC8H8
   228 CyclooctatetraeneC8H8
   229 StyreneC8H8
   230 EthylbenzeneC8H10
   231 m-XyleneC8H10
   232 o-XyleneC8H10
   233 p-XyleneC8H10
   234 1,5-CyclooctadieneC8H12
   235 4-Vinyl cyclohexeneC8H12


ΔHf: -46.0 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
3-Methyl hexane
 HR=NIST H=-45.96
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52956013 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53418993 +1  110.8156331 +1    0.0000000 +0     2     1     0
  C     1.54156627 +1  111.7511786 +1 -178.0437455 +1     3     2     1
  C     1.54255686 +1  109.4365805 +1  165.4701895 +1     4     3     2
  C     1.52869004 +1  111.8933377 +1 -165.6921626 +1     5     4     3
  C     1.53315500 +1  110.6070604 +1  122.0577220 +1     4     3     5
  H     1.09553329 +1  111.4045478 +1  -59.3865170 +1     1     2     3
  H     1.09549290 +1  111.4456873 +1  120.1107044 +1     1     2     8
  H     1.09540168 +1  111.1862913 +1  119.9548727 +1     1     2     9
  H     1.10615107 +1  109.8238080 +1  122.0843838 +1     2     1     3
  H     1.10629534 +1  109.9236969 +1  116.0299733 +1     2     1    11
  H     1.10644880 +1  109.2242725 +1  121.8252729 +1     3     2     4
  H     1.10515688 +1  110.0576504 +1  115.6353283 +1     3     2    13
  H     1.11613655 +1  108.6138066 +1  119.5333797 +1     4     3     7
  H     1.10702638 +1  109.6755074 +1  121.4968321 +1     5     4     6
  H     1.10549786 +1  109.8280426 +1  115.8072498 +1     5     4    16
  H     1.09554612 +1  111.5532014 +1  -62.9861687 +1     6     5     4
  H     1.09545433 +1  111.4680726 +1  120.2346401 +1     6     5    18
  H     1.09560845 +1  111.1088115 +1  119.9548659 +1     6     5    19
  H     1.09531465 +1  111.2420119 +1  178.7629167 +1     7     4     3
  H     1.09489752 +1  111.5067542 +1  120.1516520 +1     7     4    21
  H     1.09512425 +1  111.3678142 +1  120.1403817 +1     7     4    22