Accuracy

xanthone   1036 Xanthone

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    #  Species Formula
  1026 p-tert-Butyl benzoic acidC11H14O2
  1027 2,3,4,6-Tetramethylbenzoic acidC11H14O2
  1028 2,3,5,6-Tetramethylbenzoic acidC11H14O2
  1029 Oxacyclododecan-2-oneC11H20O2
  1030 Ethyl nonanoateC11H22O2
  1031 1,1-DibutoxypropaneC11H24O2
  1032 Pentamethylbenzoic acidC12H16O2
  1033 5,5-Dimethyl-2-phenyl-1,3-dioxaneC12H16O2
  1034 2,2,6,6-Tetramethyl-3,5-heptanedioneC12H22O2
  1035 Ethyl decanoateC12H24O2
  1036 Xanthone C13H8O2
  1037 Phenyl benzoateC13H10O2
  1038 9,10-AnthroquinoneC14H8O2
  1039 9,10-PhenanthroquinoneC14H8O2
  1040 Nitrogen dioxideNO2
  1041 Nitrogen dioxide (Geo)NO2
  1042 Nitrous acid (cis)(https://aip.scitation.org/doi/10.1063/1.1696387) (Geo)HNO2
  1043 Nitrous acid (trans) (https://aip.scitation.org/doi/10.1063/1.1696387) (Geo)HNO2
  1044 Nitrous acid, cisHNO2
  1045 Nitrous acid, transHNO2
  1046 Methyl nitriteCH3NO2


ΔHf: -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.
  

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