PM7 Accuracy

2-methyl cis-cyclohexanol    801 2-Methyl cis-cyclohexanol

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    #  Species Formula
   791 p-CresolC7H8O
   792 2-Methyl-5-hexen-3-yn-2-olC7H10O
   793 2-NorbornanoneC7H10O
   794 cis-2,3-Epoxybicyclo[2.2.1]heptaneC7H10O
   795 Norbornan-7-oneC7H10O
   796 1-Methoxy cyclohexeneC7H12O
   797 Bicyclo[2.2.1]heptan-7-olC7H12O
   798 cis-1,2-EpoxycycloheptaneC7H12O
   799 CycloheptanoneC7H12O
   800 2,4-Dimethyl 3-pentanoneC7H14O
   801 2-Methyl cis-cyclohexanol C7H14O
   802 3,3-Dimethyl-2-pentanoneC7H14O
   803 4-HeptanoneC7H14O
   804 HeptanalC7H14O
   805 t-Butyl ethyl ketoneC7H14O
   806 n-HeptanolC7H16O
   807 t-Butyl isopropyl etherC7H16O
   808 BenzofuranC8H6O
   809 1,3-Dihydro isobenzofuranC8H8O
   810 1-PhenylethenolC8H8O
   811 2,3-Dihydro-benzofuranC8H8O


DHf: -71.9 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 cis-cyclohexanol
 H=-71.87 HR=NIST
  H     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.11900014  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54457763  1  107.6124334  1    0.0000000  0     2     1     0
  C     1.53546183  1  112.7382749  1 -173.5387025  1     3     2     1
  C     1.53118661  1  109.5874905  1   58.0378928  1     4     3     2
  C     1.53432282  1  110.5716671  1  -57.2150388  1     5     4     3
  C     1.53896834  1  108.6167694  1 -117.4806518  1     2     1     3
  O     1.41040761  1  110.6757638  1 -123.6194210  1     3     2     4
  C     1.53023467  1  107.8543108  1 -121.0146019  1     2     1     7
  H     1.11531070  1  110.4335532  1 -111.6893584  1     3     2     8
  H     1.10412214  1  110.5318716  1 -122.0876659  1     4     3     5
  H     1.10599072  1  109.5282125  1 -116.1821881  1     4     3    11
  H     1.10556660  1  110.0883930  1 -121.8592593  1     5     4     6
  H     1.10639915  1  110.0876454  1 -116.3837415  1     5     4    13
  H     1.10591095  1  109.9423740  1  -64.8879001  1     6     5     4
  H     1.10551651  1  110.0314512  1 -116.2509546  1     6     5    15
  H     1.10561907  1  109.7475753  1  -66.0323649  1     7     2     1
  H     1.10683018  1  109.4111057  1  115.6937277  1     7     2    17
  H     0.97543630  1  111.4695315  1   62.3636435  1     8     3     2
  H     1.09529146  1  111.9062327  1 -177.2598982  1     9     2     1
  H     1.09666203  1  110.8946046  1 -119.5509995  1     9     2    20
  H     1.09582826  1  111.4461117  1 -119.1307695  1     9     2    21