Accuracy

2,2,6,6-tetramethyl-4-heptanone    901 2,2,6,6-Tetramethyl-4-heptanone

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    #  Species Formula
   891 Beta-caran-3-olC10H18O
   892 CyclodecanoneC10H18O
   893 2,2,5,5-Tetramethyl-3-hexanoneC10H20O
   894 DecanolC10H22O
   895 Dipentyl etherC10H22O
   896 2,4,5-Trimethyl-acetophenoneC11H14O
   897 2,4,6-Trimethyl-acetophenoneC11H14O
   898 2-tert-Butyl-p-cresolC11H16O
   899 3-Methyl-2-phenylbutane-2-olC11H16O
   900 CycloundecanoneC11H20O
   901 2,2,6,6-Tetramethyl-4-heptanone C11H22O
   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-DiisopropylphenolC12H18O
   910 BenzophenoneC13H10O
   911 AnthoneC14H10O


ΔHf: -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