Accuracy

m-salicylic acid   1325 m-Salicylic acid

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    #  Species Formula
  1315 1,3,5-TrioxaneC3H6O3
  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 acid C7H6O3
  1326 o-Salicylic acidC7H6O3
  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


ΔHf: -112.1 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
m-Salicylic acid
 H=-112.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.40138692 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39438183 +1  122.2993433 +1    0.0000000 +0     2     1     0
  C     1.39500110 +1  117.8170595 +1   -0.0041653 +1     3     2     1
  C     1.38866536 +1  118.5291086 +1    0.0034878 +1     1     2     3
  C     1.39729522 +1  120.4424074 +1   -0.0087275 +1     5     1     2
  H     1.08839197 +1  119.6775390 +1 -179.9907715 +1     1     2     3
  O     1.35803037 +1  115.1279589 +1  179.9899048 +1     2     1     3
  H     1.09037526 +1  119.9025935 +1  179.9923111 +1     5     1     2
  H     1.08866343 +1  121.3881021 +1 -179.9988287 +1     3     2     1
  H     1.09235590 +1  120.2618450 +1 -179.9980975 +1     6     5     1
  C     1.47426336 +1  121.0053194 +1  179.9842759 +1     4     3     2
  O     1.20442524 +1  127.9949170 +1 -179.7391998 +1    12     4     3
  O     1.36052676 +1  111.7709982 +1    0.2725813 +1    12     4     3
  H     0.99015978 +1  113.0344573 +1 -179.9384248 +1    14    12     4
  H     0.98872667 +1  112.2012217 +1 -179.9979875 +1     8     2     1