PM7 Accuracy

methyl-cyclohexane    218 Methyl-cyclohexane

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    #  Species Formula
   208 1,2-Dimethyl cyclopenteneC7H12
   209 1-Ethyl cyclopenteneC7H12
   210 1-Methyl cyclohexeneC7H12
   211 NorbornaneC7H12
   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-cyclohexane C7H14
   219 2,2,3-Trimethyl butaneC7H16
   220 2,2-Dimethyl pentaneC7H16
   221 2,3-Dimethyl pentaneC7H16
   222 2,4-Dimethyl pentaneC7H16
   223 2-Methyl hexaneC7H16
   224 3,3-Dimethyl pentaneC7H16
   225 3-Ethyl pentaneC7H16
   226 3-Methyl hexaneC7H16
   227 n-HeptaneC7H16
   228 CubaneC8H8


DHf: -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