PM7 Accuracy

2-methyl-5-hexen-3-yn-2-ol    792 2-Methyl-5-hexen-3-yn-2-ol

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    #  Species Formula
   782 PhenolC6H6O
   783 4-Methyl-3-penten-2-oneC6H10O
   784 CyclohexanoneC6H10O
   785 Methyl neopentyl ketoneC6H12O
   786 Di-isopropyl etherC6H14O
   787 BenzaldehydeC7H6O
   788 AnisoleC7H8O
   789 m-CresolC7H8O
   790 o-CresolC7H8O
   791 p-CresolC7H8O
   792 2-Methyl-5-hexen-3-yn-2-ol C7H10O
   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-cyclohexanolC7H14O
   802 3,3-Dimethyl-2-pentanoneC7H14O


DHf: 11.0 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
2-Methyl-5-hexen-3-yn-2-ol
 HR=NIST H=11.0
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53619275  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.44608914  1  110.8250456  1    0.0000000  0     2     1     0
  C     1.21304175  1  144.6598072  1 -179.2221942  1     3     1     2
  C     1.40596376  1  179.9982591  1  -65.5430803  1     4     3     1
  C     1.33743619  1  122.8752882  1  -62.3124423  1     5     4     1
  O     1.42429425  1  108.9971942  1  115.1828123  1     2     1     3
  C     1.53607175  1  111.8398952  1  120.6106252  1     2     1     7
  H     1.09851073  1  110.3217321  1  -62.1519577  1     1     2     3
  H     1.09518035  1  111.3315363  1  119.3654625  1     1     2     9
  H     1.09341648  1  111.7254606  1  120.8426501  1     1     2    10
  H     1.09814077  1  115.1565947  1 -179.9897558  1     5     4     6
  H     1.07944986  1  123.6025511  1    0.0187488  1     6     5     4
  H     1.07894232  1  123.3005857  1 -179.9793272  1     6     5    13
  H     0.97598058  1  110.4897100  1   61.2766083  1     7     2     1
  H     1.09511983  1  111.3225045  1   64.8076655  1     8     2     1
  H     1.09833559  1  110.3975391  1  119.5662809  1     8     2    16
  H     1.09363603  1  111.6636557  1  119.7141761  1     8     2    17