PM7 Accuracy

p-salicylic acid   1330 p-Salicylic acid

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    #  Species Formula
  1320 GlycerolC3H8O3
  1321 Trimethoxyborane (Geo)H9BC3O3
  1322 TrimethoxyboraneH9BC3O3
  1323 Maleic anhydrideC4H2O3
  1324 Acetic anhydrideC4H6O3
  1325 TrimethoxymethaneC4H10O3
  1326 2,5,8-TrioxanonaneC6H14O3
  1327 TriethoxyboraneH15BC6O3
  1328 m-Salicylic acidC7H6O3
  1329 o-Salicylic acidC7H6O3
  1330 p-Salicylic acid C7H6O3
  1331 2,3-Butanediol, 2,3-dimethyl-, monoformateC7H14O3
  1332 Trimethoxymethyl benzeneC10H14O3
  1333 1-tert-Butoxy-3-propoxy-2-propanolC10H22O3
  1334 1-Butoxy-3-tert-butyl-2-propanolC11H24O3
  1335 Benzoic acid, anhydrideC14H10O3
  1336 Nitrate radicalNO3
  1337 Nitrate anionNO3
  1338 Nitric acid (Geo)HNO3
  1339 Nitric acidHNO3
  1340 Methyl nitrateCH3NO3


DHf: -117.7 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
p-Salicylic acid
 H=-117.7 HR=NIST
  C     0.01522212  1   0.00754998  1  -0.00048951  1
  C     1.41670554  1   0.00610493  1  -0.03460684  1
  C     2.07483269  1   1.22607359  1  -0.04054262  1
  C     1.34043037  1   2.41974542  1  -0.01193699  1
  C    -0.73738437  1   1.18665226  1   0.02861446  1
  C    -0.05854777  1   2.39922853  1   0.02191963  1
  O    -0.55628188  1  -1.21798246  1   0.00300825  1
  H     1.95661546  1  -0.93753904  1  -0.05594370  1
  H    -1.82109226  1   1.15888693  1   0.05474248  1
  H     3.16870918  1   1.26021405  1  -0.06723177  1
  H    -0.61388099  1   3.34339919  1   0.04399210  1
  C     2.00895202  1   3.72137190  1  -0.01775629  1
  O     1.50676022  1   4.81736349  1   0.00571083  1
  O     3.36558585  1   3.59742234  1  -0.05427910  1
  H     3.83210100  1   4.46945816  1  -0.05904860  1
  H    -1.54428355  1  -1.18009378  1   0.02697706  1