PM7 Accuracy

xanthone   1202 Xanthone

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    #  Species Formula
  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-heptanedioneC12H22O2
  1201 Ethyl decanoateC12H24O2
  1202 Xanthone C13H8O2
  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
  1211 Nitrous acid, cisHNO2
  1212 Nitrous acid, transHNO2


DHf: -23.5 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
Xanthone
 H=-23.5 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.47024849  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39470513  1  120.1836098  1    0.0000000  0     2     1     0
  O     1.36863839  1  123.7152957  1   -0.0120101  1     3     2     1
  C     1.36871219  1  117.8175817  1   -0.0048773  1     4     3     2
  C     1.47000256  1  114.3821641  1    0.0232472  1     1     2     3
  C     1.39960124  1  121.1810673  1  179.9869704  1     6     1     2
  C     1.39955708  1  121.1728019  1 -179.9947656  1     2     1     6
  C     1.39997436  1  122.2669604  1 -179.9904930  1     3     2     1
  C     1.39996348  1  114.0340168  1 -179.9875028  1     5     4     3
  C     1.38886792  1  119.9913105  1 -179.9788764  1     8     2     1
  C     1.38817212  1  117.9460771  1    0.0147819  1     9     3     2
  C     1.38888054  1  120.0276495  1  179.9968157  1     7     6     1
  C     1.38813878  1  117.9613031  1  179.9980376  1    10     5     4
  O     1.20993230  1  122.7663198  1 -179.9820854  1     1     2     3
  H     1.09462286  1  118.9003927  1   -0.0029590  1     7     6     1
  H     1.09455853  1  118.9042487  1    0.0088563  1     8     2     1
  H     1.08697598  1  120.2155942  1 -179.9971624  1     9     3     2
  H     1.08703301  1  120.1938710  1   -0.0012665  1    10     5     4
  H     1.08786589  1  120.0481933  1 -179.9992987  1    11     8     2
  H     1.09107763  1  119.6391954  1 -179.9977809  1    12     9     3
  H     1.08782907  1  120.0534365  1 -179.9998474  1    13     7     6
  H     1.09103550  1  119.6488779  1  179.9997051  1    14    10     5