Accuracy

2,2,6,6-tetramethyl-3,5-heptanedione   1196 2,2,6,6-Tetramethyl-3,5-heptanedione

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    #  Species Formula
  1186 Isonaphthoic acidC11H8O2
  1187 2,3,4,5-Tetramethylbenzoic acidC11H14O2
  1188 2,3,4,6-Tetramethylbenzoic acidC11H14O2
  1189 2,3,5,6-Tetramethylbenzoic acidC11H14O2
  1190 p-tert-Butyl benzoic acidC11H14O2
  1191 Oxacyclododecan-2-oneC11H20O2
  1192 Ethyl nonanoateC11H22O2
  1193 1,1-DibutoxypropaneC11H24O2
  1194 5,5-Dimethyl-2-phenyl-1,3-dioxaneC12H16O2
  1195 Pentamethylbenzoic acidC12H16O2
  1196 2,2,6,6-Tetramethyl-3,5-heptanedione C12H22O2
  1197 Ethyl decanoateC12H24O2
  1198 XanthoneC13H8O2
  1199 Phenyl benzoateC13H10O2
  1200 9,10-AnthroquinoneC14H8O2
  1201 9,10-PhenanthroquinoneC14H8O2
  1202 Nitrogen dioxide, cationNO2
  1203 Nitrogen dioxideNO2
  1204 Nitrogen dioxide (Geo)NO2
  1205 Nitrous acid (cis) (Geo)HNO2
  1206 Nitrous acid (trans) (Geo)HNO2


ΔHf: -126.3 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-3,5-heptanedione
 H=-126.3 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.55221902 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.50428104 +1  112.0068512 +1    0.0000000 +0     2     1     0
  O     1.20501372 +1  121.9620081 +1   86.3950343 +1     3     2     1
  C     1.51409203 +1  117.3690661 +1  -96.4183466 +1     3     2     1
  C     1.51657980 +1  109.8932675 +1  138.3732244 +1     5     3     2
  O     1.20475786 +1  119.2263769 +1  -75.9817002 +1     6     5     3
  C     1.52880578 +1  119.2817149 +1  106.3840614 +1     6     5     3
  C     1.52951282 +1  110.9311170 +1  -42.3449296 +1     8     6     5
  C     1.53445866 +1  106.9139447 +1   78.6476110 +1     8     6     5
  C     1.53286309 +1  108.3429875 +1 -162.6333664 +1     8     6     5
  C     1.53296960 +1  110.5580740 +1   63.5917123 +1     1     2     3
  C     1.53310645 +1  110.1930790 +1  -57.9801112 +1     1     2     3
  C     1.53929243 +1  107.7769067 +1 -177.2028962 +1     1     2     3
  H     1.10449710 +1  109.6114023 +1 -124.2331063 +1     2     1     3
  H     1.11131595 +1  108.6689755 +1  120.3029376 +1     2     1     3
  H     1.10761544 +1  109.1540701 +1  -98.6238022 +1     5     3     2
  H     1.11042634 +1  111.1635609 +1   17.9800028 +1     5     3     2
  H     1.10185778 +1  111.2616576 +1  -47.5420448 +1     9     8     6
  H     1.09365196 +1  112.6785985 +1   72.9891428 +1     9     8     6
  H     1.09599622 +1  111.1677374 +1 -166.7255285 +1     9     8     6
  H     1.09708480 +1  111.4544912 +1   59.9646092 +1    10     8     6
  H     1.09435087 +1  112.1903241 +1  -61.1913446 +1    10     8     6
  H     1.09681181 +1  110.6887622 +1  179.0501465 +1    10     8     6
  H     1.09856134 +1  111.4109525 +1  -54.1042964 +1    11     8     6
  H     1.09759444 +1  111.1597847 +1   64.6940578 +1    11     8     6
  H     1.09386657 +1  111.6377670 +1 -174.7806639 +1    11     8     6
  H     1.09288287 +1  112.1013810 +1   55.6174527 +1    12     1     2
  H     1.10033030 +1  111.7342682 +1  -65.6142824 +1    12     1     2
  H     1.09588508 +1  111.1591269 +1  175.7909929 +1    12     1     2
  H     1.09826106 +1  111.7342954 +1   60.3232468 +1    13     1     2
  H     1.09509293 +1  111.7001749 +1  -59.2793681 +1    13     1     2
  H     1.09478831 +1  111.3806702 +1 -179.9013192 +1    13     1     2
  H     1.09408250 +1  111.6682933 +1  -61.2448803 +1    14     1     2
  H     1.09461264 +1  111.6411545 +1   59.5927713 +1    14     1     2
  H     1.09587784 +1  110.9221694 +1  179.0921732 +1    14     1     2