PM7 Accuracy

2,2,6,6-tetramethyl-4-heptanone    904 2,2,6,6-Tetramethyl-4-heptanone

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    #  Species Formula
   894 Beta-caran-3-olC10H18O
   895 CyclodecanoneC10H18O
   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-heptanone C11H22O
   905 Dipentyl ketoneC11H22O
   906 Decyl methyl etherC11H24O
   907 DibenzofuranC12H8O
   908 m-HydroxybiphenylC12H10O
   909 o-HydroxybiphenylC12H10O
   910 p-HydroxybiphenylC12H10O
   911 Isobutyl phenyl ketoneC12H16O
   912 2,6-DiisopropylphenolC12H18O
   913 BenzophenoneC13H10O
   914 AnthoneC14H10O


DHf: -100.7 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
2,2,6,6-Tetramethyl-4-heptanone
 H=-100.7 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  O     1.20667158  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.50976067  1  121.1577277  1    0.0000000  0     1     2     0
  C     1.54915967  1  111.7851953  1   80.1436793  1     3     1     2
  C     1.53571526  1  110.5426208  1   53.9436526  1     4     3     1
  C     1.53362269  1  109.9444065  1 -121.3132497  1     4     3     5
  C     1.53885821  1  108.0729510  1 -119.3067976  1     4     3     6
  C     1.50975180  1  121.1653092  1 -179.9885161  1     1     2     3
  C     1.54909772  1  111.7912397  1   79.4277899  1     8     1     2
  C     1.53583358  1  110.5001223  1   53.6205618  1     9     8     1
  C     1.53353748  1  109.9728457  1 -121.3296710  1     9     8    10
  C     1.53883494  1  108.0764452  1 -119.3300847  1     9     8    11
  H     1.10490231  1  110.9288493  1  122.9226239  1     3     1     4
  H     1.10943887  1  109.1047276  1  116.4615848  1     3     1    13
  H     1.09413353  1  111.6269704  1   55.2475279  1     5     4     3
  H     1.09559522  1  111.5494660  1 -120.9944685  1     5     4    15
  H     1.09585446  1  111.0469759  1 -119.2117790  1     5     4    16
  H     1.09498661  1  111.6521452  1  -63.1504668  1     6     4     3
  H     1.09885605  1  111.5259142  1  119.3094185  1     6     4    18
  H     1.09414020  1  111.4759208  1  120.2099894  1     6     4    19
  H     1.09424454  1  111.6518978  1  -62.5658541  1     7     4     3
  H     1.09486760  1  111.4721451  1  120.6069691  1     7     4    21
  H     1.09531901  1  111.0425382  1  119.5528932  1     7     4    22
  H     1.10934958  1  109.1153303  1 -120.6212370  1     8     1     9
  H     1.10492477  1  110.9290605  1 -116.4381609  1     8     1    24
  H     1.09409668  1  111.6333323  1   55.1299780  1    10     9     8
  H     1.09568281  1  111.5281985  1 -120.9920154  1    10     9    26
  H     1.09581358  1  111.0374792  1 -119.2041354  1    10     9    27
  H     1.09897456  1  111.5084051  1   55.9506942  1    11     9     8
  H     1.09514206  1  111.5851513  1 -119.1469079  1    11     9    29
  H     1.09389249  1  111.5639826  1 -120.5073562  1    11     9    30
  H     1.09423652  1  111.6546165  1  -62.7557674  1    12     9     8
  H     1.09479561  1  111.4735967  1  120.6112905  1    12     9    32
  H     1.09531468  1  111.0455996  1  119.5449980  1    12     9    33