Accuracy

3-methyl-2-phenylbutane-2-ol    899 3-Methyl-2-phenylbutane-2-ol

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


ΔHf: -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