PM7 Accuracy

dipentyl ether    898 Dipentyl ether

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    #  Species Formula
   888 p-tert-Butyl phenolC10H14O
   889 1-AdamantolC10H16O
   890 2-AdamantolC10H16O
   891 CamphorC10H16O
   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 ether C10H22O
   899 2,4,5-Trimethyl-acetophenoneC11H14O
   900 2,4,6-Trimethyl-acetophenoneC11H14O
   901 2-tert-Butyl-p-cresolC11H16O
   902 3-Methyl-2-phenylbutane-2-olC11H16O
   903 CycloundecanoneC11H20O
   904 2,2,6,6-Tetramethyl-4-heptanoneC11H22O
   905 Dipentyl ketoneC11H22O
   906 Decyl methyl etherC11H24O
   907 DibenzofuranC12H8O
   908 m-HydroxybiphenylC12H10O


DHf: -93.1 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
Dipentyl ether
 H=-93.1 HR=NIST
  C    -0.04861560  1  -0.35629751  1  -0.04240390  1
  C     1.33916915  1  -0.96129838  1   0.16919417  1
  C     2.37583973  1   0.13553222  1   0.44845045  1
  C     3.77505906  1  -0.46663955  1   0.59828733  1
  C     4.80988496  1   0.63322578  1   0.86006532  1
  O     6.10847073  1   0.08529761  1   0.96119819  1
  C     6.71326315  1  -0.21557566  1  -0.29134667  1
  C     8.08431728  1  -0.78720206  1   0.07993362  1
  C     9.08043119  1   0.33163465  1   0.40372686  1
  C    10.46042327  1  -0.24798670  1   0.74043755  1
  C    11.46045603  1   0.86351553  1   1.06015924  1
  H    -0.38124009  1   0.20117149  1   0.84023924  1
  H    -0.05926387  1   0.33458600  1  -0.89250258  1
  H    -0.79538951  1  -1.13283062  1  -0.24170388  1
  H     1.31539722  1  -1.68133296  1   1.00897575  1
  H     1.63530942  1  -1.54609182  1  -0.72183438  1
  H     2.09808884  1   0.69128874  1   1.36416237  1
  H     2.36563009  1   0.87800635  1  -0.37194544  1
  H     3.79891119  1  -1.20156308  1   1.42539013  1
  H     4.04644633  1  -1.03745155  1  -0.30853968  1
  H     4.67757277  1   1.08959428  1   1.86027136  1
  H     4.77519930  1   1.42753363  1   0.09638953  1
  H    11.13466748  1   1.46107019  1   1.91909553  1
  H    11.58540260  1   1.54590894  1   0.21218412  1
  H     6.79065535  1   0.70538117  1  -0.89351527  1
  H     6.09742978  1  -0.95468873  1  -0.83176797  1
  H     7.97040147  1  -1.45654087  1   0.95786345  1
  H     8.46203885  1  -1.41886724  1  -0.74366558  1
  H     8.69881949  1   0.93134023  1   1.25325208  1
  H     9.16021464  1   1.03207954  1  -0.44735996  1
  H    10.37921306  1  -0.94027830  1   1.59959647  1
  H    10.83081058  1  -0.85588453  1  -0.10627606  1
  H    12.44668937  1   0.45202056  1   1.30124409  1