Accuracy

o-salicylic acid   1326 o-Salicylic acid

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    #  Species Formula
  1316 Methyl hydroxyacetateC3H6O3
  1317 GlycerolC3H8O3
  1318 Trimethoxyborane (Geo)H9BC3O3
  1319 TrimethoxyboraneH9BC3O3
  1320 Maleic anhydrideC4H2O3
  1321 Acetic anhydrideC4H6O3
  1322 TrimethoxymethaneC4H10O3
  1323 2,5,8-TrioxanonaneC6H14O3
  1324 TriethoxyboraneH15BC6O3
  1325 m-Salicylic acidC7H6O3
  1326 o-Salicylic acid C7H6O3
  1327 p-Salicylic acidC7H6O3
  1328 2,3-Butanediol, 2,3-dimethyl-, monoformateC7H14O3
  1329 Trimethoxymethyl benzeneC10H14O3
  1330 1-tert-Butoxy-3-propoxy-2-propanolC10H22O3
  1331 1-Butoxy-3-tert-butyl-2-propanolC11H24O3
  1332 Benzoic acid, anhydrideC14H10O3
  1333 Nitrate radicalNO3
  1334 Nitrate anionNO3
  1335 Nitric acid (Geo)HNO3
  1336 Nitric acidHNO3


ΔHf: -118.5 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.
I.P.: 9.8 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
o-Salicylic acid
 H=-118.5 HR=NIST I=9.8 IR=LLNBS82
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.38103383 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.41009082 +1  119.0723576 +1    0.0000000 +0     2     1     0
  C     1.40219719 +1  121.2687479 +1    0.1228374 +1     3     2     1
  C     1.40483324 +1  120.5754509 +1   -0.1355340 +1     1     2     3
  C     1.38258271 +1  120.0491446 +1   -0.0123591 +1     5     1     2
  H     1.09152492 +1  120.0355985 +1  179.8262664 +1     1     2     3
  H     1.08804543 +1  121.9759668 +1 -179.9068012 +1     2     1     3
  H     1.08717865 +1  119.5859732 +1 -179.9821874 +1     5     1     2
  O     1.34146573 +1  114.1521398 +1  179.5879246 +1     3     2     1
  H     1.09584536 +1  120.3957197 +1 -179.7544015 +1     6     5     1
  C     1.45611724 +1  125.5208607 +1  179.8940840 +1     4     3     2
  O     1.20341096 +1  128.4786489 +1 -174.3450612 +1    12     4     3
  O     1.37258133 +1  113.0996726 +1    6.0103746 +1    12     4     3
  H     0.98625479 +1  113.9942755 +1 -176.6710092 +1    14    12     4
  H     1.00248763 +1  112.0008917 +1  178.7117736 +1    10     3     2