PM7 Accuracy

decanol    897 Decanol

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    #  Species Formula
   887 p-sec-ButylphenolC10H14O
   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 Decanol C10H22O
   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-olC11H16O
   903 CycloundecanoneC11H20O
   904 2,2,6,6-Tetramethyl-4-heptanoneC11H22O
   905 Dipentyl ketoneC11H22O
   906 Decyl methyl etherC11H24O
   907 DibenzofuranC12H8O


DHf: -94.5 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
Decanol
 H=-94.46 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52908034  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53444147  1  110.8526588  1    0.0000000  0     2     1     0
  C     1.53387797  1  110.7930961  1 -179.9446908  1     3     2     1
  C     1.53391788  1  110.6670049  1 -179.9893827  1     4     3     2
  C     1.53396179  1  110.7043914  1 -179.9783273  1     5     4     3
  C     1.53391292  1  110.6434405  1 -179.9655175  1     6     5     4
  C     1.53426405  1  110.6867592  1 -179.9655424  1     7     6     5
  C     1.53045701  1  110.4927145  1 -179.9209979  1     8     7     6
  C     1.53072823  1  110.5182982  1 -179.9489435  1     9     8     7
  O     1.42192272  1  104.4996472  1 -179.8770172  1    10     9     8
  H     1.09561410  1  111.4403936  1  -59.9673850  1     1     2     3
  H     1.09560400  1  111.4307815  1  120.1227311  1     1     2    12
  H     1.09548715  1  111.2240621  1  119.9314373  1     1     2    13
  H     1.10617855  1  109.9666934  1  121.9596396  1     2     1     3
  H     1.10628316  1  109.9439467  1  116.1636445  1     2     1    15
  H     1.10582145  1  109.9494809  1 -121.9804183  1     3     2     4
  H     1.10590811  1  109.9268176  1 -116.1164492  1     3     2    17
  H     1.10579498  1  110.0194021  1  121.9024741  1     4     3     5
  H     1.10588218  1  109.9979754  1  116.2745452  1     4     3    19
  H     1.10597370  1  109.9975156  1 -121.9163559  1     5     4     6
  H     1.10606182  1  109.9775576  1 -116.2394062  1     5     4    21
  H     1.10580550  1  109.9926947  1  121.9137802  1     6     5     7
  H     1.10588730  1  109.9723315  1  116.2464090  1     6     5    23
  H     1.10617219  1  110.0356689  1 -121.9099725  1     7     6     8
  H     1.10626628  1  110.0153226  1 -116.2509731  1     7     6    25
  H     1.10633402  1  109.8776909  1  121.9123969  1     8     7     9
  H     1.10638930  1  109.8594770  1  116.2416064  1     8     7    27
  H     1.10735646  1  110.9430472  1 -121.7936508  1     9     8    10
  H     1.10748743  1  110.9215979  1 -116.4878014  1     9     8    29
  H     1.10379786  1  112.1327260  1  117.8204258  1    10     9    11
  H     1.10360221  1  112.1432592  1  124.3426811  1    10     9    31
  H     0.97443422  1  110.4602267  1  179.9177572  1    11    10     9