PM7 Accuracy

4-(1methylethyl)-phenol    858 4-(-1-Methylethyl)-phenol

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    #  Species Formula
   848 Di-sec-butyl etherC8H18O
   849 sec-Butyl-tert-butyl etherC8H18O
   850 tert-Butyl etherC8H18O
   851 tert-Butyl isobutyl etherC8H18O
   852 3,4-Dihydro-1H-2-benzopyranC9H10O
   853 3,4-Dihydro-2H-1-benzopyranC9H10O
   854 Benzyl methyl ketoneC9H10O
   855 2(-1-Methylethyl)-phenolC9H12O
   856 2,4,6-Trimethyl phenolC9H12O
   857 3(-1-Methylethyl)-phenolC9H12O
   858 4-(-1-Methylethyl)-phenol C9H12O
   859 2,6,6-Trimethyl-2-cyclohexen-1-oneC9H14O
   860 Bicycle[3.3.1]nonan-9-one -check -3-oneC9H14O
   861 cis Octahydro-2H-inden-2-oneC9H14O
   862 trans Octahydro-2H-inden-2-oneC9H14O
   863 CyclononanoneC9H16O
   864 2,6-Dimethyl-4-heptanoneC9H18O
   865 2-NonanoneC9H18O
   866 3,3,4,4-Tetramethyl-2-pentanoneC9H18O
   867 5-NonanoneC9H18O
   868 Di-tert-butyl ketoneC9H18O


DHf: -41.9 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
4-(-1-Methylethyl)-phenol
 H=-41.9 HR=NIST
  C     0.00254479  1  -0.00968901  1  -0.00320858  1
  C     1.38901044  1  -0.02174774  1   0.07823430  1
  C     2.08065047  1   1.03498451  1   0.68156239  1
  C     1.36961885  1   2.11498328  1   1.20827130  1
  C    -0.02097410  1   2.15326154  1   1.13996062  1
  C    -0.68183118  1   1.08492127  1   0.53345772  1
  O    -2.03701025  1   1.03421640  1   0.42052572  1
  C     4.04918987  1   0.98631744  1   2.21606452  1
  C     4.19104244  1   2.17461030  1  -0.00872970  1
  H    -0.57149220  1   2.99235245  1   1.54933413  1
  H    -0.54975417  1  -0.82140098  1  -0.46821172  1
  H     1.94208353  1  -0.86517797  1  -0.33433805  1
  C     3.58457200  1   0.98901327  1   0.75328525  1
  H     1.90578308  1   2.93942147  1   1.67719644  1
  H    -2.47191326  1   1.82653504  1   0.81577652  1
  H     3.59641923  1   0.15657003  1   2.77089277  1
  H     3.77418444  1   1.91285627  1   2.73089164  1
  H     5.13697028  1   0.88127201  1   2.28455526  1
  H     3.92015285  1   3.13221335  1   0.44791757  1
  H     3.83866145  1   2.19489638  1  -1.04657416  1
  H     5.28433023  1   2.11646247  1  -0.02698378  1
  H     3.95219654  1   0.04543369  1   0.27306459  1