Accuracy

2,6-diisopropylphenol    909 2,6-Diisopropylphenol

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    #  Species Formula
   899 3-Methyl-2-phenylbutane-2-olC11H16O
   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-Diisopropylphenol C12H18O
   910 BenzophenoneC13H10O
   911 AnthoneC14H10O
   912 1,1'-DiadamantylketoneC21H30O
   913 Nitric oxide, cationNO
   914 Nitric oxideNO
   915 Nitrogen oxide (Geo)NO
   916 Lithium oxynitride (Geo)LiNO
   917 NCOCNO
   918 Hydrogen isocyanate (Geo)HCNO
   919 Hydrogen isocyanateHCNO


ΔHf: -60.7 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
2,6-Diisopropylphenol
 H=-60.73 HR=NIST
  C     0.11668054 +1  -0.07657733 +1   0.15827429 +1
  C     0.75002859 +1   0.16201459 +1  -1.21949009 +1
  C     1.42679209 +1   1.50313368 +1  -1.27501394 +1
  C     1.18419378 +1   2.37706818 +1  -2.34893630 +1
  C     1.79685042 +1   3.63129509 +1  -2.45119507 +1
  C     1.56964863 +1   4.57190098 +1  -3.60252420 +1
  C     0.09098249 +1   4.96316270 +1  -3.72930020 +1
  C     2.10911245 +1   3.96698026 +1  -4.90632200 +1
  C     1.76985227 +1  -0.93867442 +1  -1.54663779 +1
  C     2.32183793 +1   1.91140031 +1  -0.29105657 +1
  C     2.94293256 +1   3.15767876 +1  -0.36659301 +1
  C     2.67724967 +1   4.00858663 +1  -1.43392432 +1
  O     0.31417939 +1   1.89859441 +1  -3.27839049 +1
  H    -0.54515781 +1   0.75234175 +1   0.43310209 +1
  H     0.87235679 +1  -0.17082369 +1   0.94428145 +1
  H    -0.47873655 +1  -0.99574438 +1   0.16179884 +1
  H    -0.06851823 +1   0.12196807 +1  -1.98696122 +1
  H     2.14493490 +1   5.51903386 +1  -3.41179751 +1
  H    -0.54960061 +1   4.12675112 +1  -4.03015077 +1
  H    -0.29705139 +1   5.33590062 +1  -2.77241866 +1
  H    -0.04223204 +1   5.75716175 +1  -4.47260604 +1
  H     1.63096043 +1   3.01647495 +1  -5.16392217 +1
  H     3.18493085 +1   3.76417489 +1  -4.82207980 +1
  H     1.96692013 +1   4.65116628 +1  -5.74968821 +1
  H     2.59138292 +1  -0.95555406 +1  -0.82322331 +1
  H     2.20951522 +1  -0.78089765 +1  -2.53883846 +1
  H     1.29733739 +1  -1.92585617 +1  -1.54358015 +1
  H     2.54086944 +1   1.24953641 +1   0.54576932 +1
  H     3.63944490 +1   3.46226913 +1   0.41037647 +1
  H     3.16547616 +1   4.98132299 +1  -1.47784849 +1
  H     0.14984576 +1   2.54920420 +1  -4.00982314 +1