PM7 Accuracy

o-nitrophenol   1347 o-Nitrophenol

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    #  Species Formula
  1337 Nitrate anionNO3
  1338 Nitric acid (Geo)HNO3
  1339 Nitric acidHNO3
  1340 Methyl nitrateCH3NO3
  1341 Oxamic acidC2H3NO3
  1342 Ethyl nitrateC2H5NO3
  1343 SerineC3H7NO3
  1344 2-NitrofuranC4H3NO3
  1345 ThreonineC4H9NO3
  1346 m-NitrophenolC6H5NO3
  1347 o-Nitrophenol C6H5NO3
  1348 p-NitrophenolC6H5NO3
  1349 TyrosineC9H11NO3
  1350 Dinitrogen trioxideN2O3
  1351 Dinitrogen trioxide (Geo)N2O3
  1352 Barbituric acidC4H4N2O3
  1353 AsparagineC4H8N2O3
  1354 GLY-GLYC4H8N2O3
  1355 GlutamineC5H10N2O3
  1356 ALA-ALAC6H12N2O3
  1357 8-Hydroxy-5-nitroquinolineC9H6N2O3


DHf: -30.8 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
o-Nitrophenol
 H=-30.78 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.41156645  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.37899556  1  118.9091164  1    0.0000000  0     2     1     0
  C     1.41009530  1  121.0570326  1    0.0065741  1     3     2     1
  C     1.37894723  1  120.4108939  1    0.0407700  1     4     3     2
  C     1.40934341  1  119.6108722  1    0.0218779  1     5     4     3
  O     1.32270480  1  116.8433383  1  179.9633211  1     1     2     3
  N     1.42413948  1  120.8556072  1  179.9666609  1     6     5     4
  O     1.24207927  1  117.7168302  1 -179.9517019  1     8     6     5
  O     1.21417080  1  120.4384742  1  179.9975816  1     8     6     9
  H     1.08883674  1  118.8016144  1 -179.9947526  1     2     1     3
  H     1.09277783  1  119.9996167  1  179.9979533  1     3     2     4
  H     1.08825029  1  119.2493750  1  179.9983807  1     4     3     5
  H     1.09537929  1  121.1925338  1  179.9990165  1     5     4     6
  H     1.03001529  1  113.8809832  1  179.9833562  1     7     1     2