PM7 Accuracy

decyl methyl ether    906 Decyl methyl ether

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    #  Species Formula
   896 2,2,5,5-Tetramethyl-3-hexanoneC10H20O
   897 DecanolC10H22O
   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 ether C11H24O
   907 DibenzofuranC12H8O
   908 m-HydroxybiphenylC12H10O
   909 o-HydroxybiphenylC12H10O
   910 p-HydroxybiphenylC12H10O
   911 Isobutyl phenyl ketoneC12H16O
   912 2,6-DiisopropylphenolC12H18O
   913 BenzophenoneC13H10O
   914 AnthoneC14H10O
   915 1,1'-DiadamantylketoneC21H30O
   916 Nitric oxide, cationNO


DHf: -91.1 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
Decyl methyl ether
 H=-91.08 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52899629  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53443317  1  110.8915593  1    0.0000000  0     2     1     0
  C     1.53383031  1  110.7849318  1 -179.8999815  1     3     2     1
  C     1.53390627  1  110.7013271  1 -179.8119328  1     4     3     2
  C     1.53391381  1  110.6983164  1 -179.8536760  1     5     4     3
  C     1.53393233  1  110.6717880  1 -179.7975014  1     6     5     4
  C     1.53420010  1  110.6621749  1 -179.8318801  1     7     6     5
  C     1.53082820  1  110.5292066  1 -179.7957917  1     8     7     6
  C     1.53163254  1  110.3766322  1 -179.8120665  1     9     8     7
  O     1.42434783  1  103.7671501  1 -179.7097964  1    10     9     8
  C     1.41286592  1  112.8854328  1 -179.7206862  1    11    10     9
  H     1.09560175  1  111.4305870  1   60.2209331  1     1     2     3
  H     1.09562029  1  111.4392862  1 -120.1157165  1     1     2    13
  H     1.09545759  1  111.2266467  1 -119.9435276  1     1     2    14
  H     1.10619758  1  109.9493110  1 -121.9431231  1     2     1     3
  H     1.10630882  1  109.9478305  1 -116.1592084  1     2     1    16
  H     1.10575872  1  109.9533538  1  121.9475769  1     3     2     4
  H     1.10586948  1  109.9397252  1  116.1301369  1     3     2    18
  H     1.10579686  1  110.0029428  1 -121.8830549  1     4     3     5
  H     1.10588647  1  110.0066276  1 -116.2747179  1     4     3    20
  H     1.10590935  1  110.0011110  1  121.8838335  1     5     4     6
  H     1.10602005  1  109.9889604  1  116.2534853  1     5     4    22
  H     1.10580349  1  109.9844854  1 -121.8914464  1     6     5     7
  H     1.10589872  1  109.9876689  1 -116.2583282  1     6     5    24
  H     1.10610325  1  110.0446582  1  121.8640739  1     7     6     8
  H     1.10622101  1  110.0304418  1  116.2919558  1     7     6    26
  H     1.10631388  1  109.9118006  1 -121.8769342  1     8     7     9
  H     1.10638759  1  109.9196619  1 -116.2842979  1     8     7    28
  H     1.10700218  1  110.8395876  1  121.7200929  1     9     8    10
  H     1.10723845  1  110.8211593  1  116.5938273  1     9     8    30
  H     1.10309630  1  112.0303444  1 -118.1150825  1    10     9    11
  H     1.10288222  1  112.1028675  1 -123.7497515  1    10     9    32
  H     1.09428976  1  111.1724492  1   62.0542031  1    12    11    10
  H     1.09426586  1  111.1886823  1 -123.9911179  1    12    11    34
  H     1.09767562  1  103.0971717  1 -118.0041222  1    12    11    35