Accuracy

methyl-cyclohexane    217 Methyl-cyclohexane

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    #  Species Formula
   207 1,2-Dimethyl cyclopenteneC7H12
   208 1-Ethyl cyclopenteneC7H12
   209 1-Methyl cyclohexeneC7H12
   210 NorbornaneC7H12
   211 1,1-Dimethyl cyclopentaneC7H14
   212 1,2-cis-Dimethyl cyclopentaneC7H14
   213 1,2-trans-Dimethyl cyclopentaneC7H14
   214 1,3-cis-Dimethyl cyclopentaneC7H14
   215 1-HepteneC7H14
   216 Ethyl cyclopentaneC7H14
   217 Methyl-cyclohexane C7H14
   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 hexaneC7H16
   226 n-HeptaneC7H16
   227 CubaneC8H8


ΔHf: -37.0 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
Methyl-cyclohexane
 H=-36.99 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53436188 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53452695 +1  110.6228694 +1    0.0000000 +0     2     1     0
  C     1.53446192 +1  110.6838280 +1  -56.8759589 +1     3     2     1
  C     1.53407414 +1  110.7072759 +1   56.6556772 +1     4     3     2
  C     1.53988963 +1  110.4734166 +1  -57.4221101 +1     5     4     3
  C     1.53257196 +1  110.1843892 +1  179.6871577 +1     6     5     4
  H     1.10421886 +1  110.1494366 +1  179.5363920 +1     1     2     3
  H     1.10500725 +1  110.0836116 +1  116.8173622 +1     1     2     8
  H     1.10596544 +1  109.8851660 +1 -121.6083459 +1     2     1     3
  H     1.10489322 +1  110.0967018 +1 -116.4647532 +1     2     1    10
  H     1.10478895 +1  110.1445833 +1 -122.1122401 +1     3     2     4
  H     1.10621037 +1  109.7623486 +1 -116.4642684 +1     3     2    12
  H     1.10482975 +1  110.0958100 +1  122.0018091 +1     4     3     5
  H     1.10603885 +1  109.8477702 +1  116.3986039 +1     4     3    14
  H     1.10435087 +1  110.1441769 +1 -121.8743134 +1     5     4     6
  H     1.10534985 +1  109.9359270 +1 -116.5630677 +1     5     4    16
  H     1.11552410 +1  108.8459925 +1  119.5057383 +1     6     5     7
  H     1.09509360 +1  111.2246791 +1  178.8784415 +1     7     6     5
  H     1.09508492 +1  111.4768381 +1  120.1031220 +1     7     6    19
  H     1.09509844 +1  111.2382811 +1  120.0875751 +1     7     6    20