PM7 Accuracy

3-methyl-2-phenylbutane-2-ol    902 3-Methyl-2-phenylbutane-2-ol

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    #  Species Formula
   892 Octahydro-3a-methyl-cis-2H-inden-2-oneC10H16O
   893 Octahydro-3a-methyl-trans-2H-inden-2-oneC10H16O
   894 Beta-caran-3-olC10H18O
   895 CyclodecanoneC10H18O
   896 2,2,5,5-Tetramethyl-3-hexanoneC10H20O
   897 DecanolC10H22O
   898 Dipentyl etherC10H22O
   899 2,4,5-Trimethyl-acetophenoneC11H14O
   900 2,4,6-Trimethyl-acetophenoneC11H14O
   901 2-tert-Butyl-p-cresolC11H16O
   902 3-Methyl-2-phenylbutane-2-ol C11H16O
   903 CycloundecanoneC11H20O
   904 2,2,6,6-Tetramethyl-4-heptanoneC11H22O
   905 Dipentyl ketoneC11H22O
   906 Decyl methyl etherC11H24O
   907 DibenzofuranC12H8O
   908 m-HydroxybiphenylC12H10O
   909 o-HydroxybiphenylC12H10O
   910 p-HydroxybiphenylC12H10O
   911 Isobutyl phenyl ketoneC12H16O
   912 2,6-DiisopropylphenolC12H18O


DHf: -50.5 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
3-Methyl-2-phenylbutane-2-ol
 H=-50.50 HR=NIST
  C    -0.00291416  1  -0.00581209  1   0.03294890  1
  C     0.88280189  1   0.25159441  1   1.07809447  1
  C     1.61425042  1   1.43632926  1   1.09534256  1
  C     1.45907217  1   2.37296607  1   0.07110230  1
  C     0.57828153  1   2.10955327  1  -0.97724303  1
  C    -0.15183884  1   0.92264557  1  -0.99504745  1
  C     2.27650545  1   3.64871501  1   0.12503922  1
  C     3.70945937  1   3.39510095  1  -0.42140385  1
  C     3.68206296  1   2.94755475  1  -1.88372138  1
  C     4.58073021  1   4.64228001  1  -0.25725814  1
  C     1.55783643  1   4.83983062  1  -0.51374067  1
  O     2.50904550  1   3.96515649  1   1.49513477  1
  H    -0.57468726  1  -0.93097029  1   0.01890540  1
  H     1.00492368  1  -0.47426971  1   1.87931622  1
  H     2.31579326  1   1.63434663  1   1.90808884  1
  H     0.45767472  1   2.82527662  1  -1.78788264  1
  H    -0.83941967  1   0.72263926  1  -1.81382464  1
  H     4.14900389  1   2.57348294  1   0.20173735  1
  H     3.26623641  1   3.71832724  1  -2.54039034  1
  H     3.08527362  1   2.03687163  1  -2.01601403  1
  H     4.69503251  1   2.72752663  1  -2.24113929  1
  H     4.27023477  1   5.44897708  1  -0.92811654  1
  H     4.52121415  1   5.02406262  1   0.77188595  1
  H     5.63204964  1   4.42042931  1  -0.46690487  1
  H     2.03466519  1   5.78056771  1  -0.20553944  1
  H     1.59234691  1   4.79910800  1  -1.60721169  1
  H     0.50724959  1   4.88958164  1  -0.20977838  1
  H     1.66865072  1   4.14162995  1   1.95736595  1