PM7 Accuracy

2,2,6,6-tetramethyl-3,5-heptanedione   1200 2,2,6,6-Tetramethyl-3,5-heptanedione

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    #  Species Formula
  1190 Isonaphthoic acidC11H8O2
  1191 2,3,4,5-Tetramethylbenzoic acidC11H14O2
  1192 2,3,4,6-Tetramethylbenzoic acidC11H14O2
  1193 2,3,5,6-Tetramethylbenzoic acidC11H14O2
  1194 p-tert-Butyl benzoic acidC11H14O2
  1195 Oxacyclododecan-2-oneC11H20O2
  1196 Ethyl nonanoateC11H22O2
  1197 1,1-DibutoxypropaneC11H24O2
  1198 5,5-Dimethyl-2-phenyl-1,3-dioxaneC12H16O2
  1199 Pentamethylbenzoic acidC12H16O2
  1200 2,2,6,6-Tetramethyl-3,5-heptanedione C12H22O2
  1201 Ethyl decanoateC12H24O2
  1202 XanthoneC13H8O2
  1203 Phenyl benzoateC13H10O2
  1204 9,10-AnthroquinoneC14H8O2
  1205 9,10-PhenanthroquinoneC14H8O2
  1206 Nitrogen dioxide, cationNO2
  1207 Nitrogen dioxideNO2
  1208 Nitrogen dioxide (Geo)NO2
  1209 Nitrous acid (cis) (Geo)HNO2
  1210 Nitrous acid (trans) (Geo)HNO2


DHf: -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