PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

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


ΔHf: -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