PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

o-nitrophenol   1346 o-Nitrophenol

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    #  Species Formula
  1336 Nitrate anionNO3
  1337 Nitric acid (Geo)HNO3
  1338 Nitric acidHNO3
  1339 Methyl nitrateCH3NO3
  1340 Oxamic acidC2H3NO3
  1341 Ethyl nitrateC2H5NO3
  1342 SerineC3H7NO3
  1343 2-NitrofuranC4H3NO3
  1344 ThreonineC4H9NO3
  1345 m-NitrophenolC6H5NO3
  1346 o-Nitrophenol C6H5NO3
  1347 p-NitrophenolC6H5NO3
  1348 TyrosineC9H11NO3
  1349 Dinitrogen trioxideN2O3
  1350 Dinitrogen trioxide (Geo)N2O3
  1351 Barbituric acidC4H4N2O3
  1352 AsparagineC4H8N2O3
  1353 GLY-GLYC4H8N2O3
  1354 GlutamineC5H10N2O3
  1355 ALA-ALAC6H12N2O3
  1356 8-Hydroxy-5-nitroquinolineC9H6N2O3


ΔHf: -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     1.41021527 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.37988745 +1  119.1647246 +1    0.0000000 +0     2     1     0
  C     1.40778061 +1  120.8285013 +1    0.0159662 +1     3     2     1
  C     1.37986095 +1  120.3256216 +1   -0.0021073 +1     4     3     2
  C     1.41007101 +1  120.0640082 +1    0.0168945 +1     5     4     3
  O     1.33248727 +1  115.6263496 +1 -179.9440549 +1     1     2     3
  N     1.43288597 +1  119.1811137 +1  179.9950657 +1     6     5     4
  O     1.23673062 +1  118.4185019 +1  179.9577034 +1     8     6     5
  O     1.21592846 +1  119.4088104 +1  179.9887946 +1     8     6     9
  H     1.08933302 +1  118.7757033 +1  179.9742229 +1     2     1     3
  H     1.09254743 +1  120.0215218 +1  179.9985181 +1     3     2     4
  H     1.08836874 +1  119.3790088 +1 -179.9930985 +1     4     3     5
  H     1.09627702 +1  120.7835759 +1 -179.9952269 +1     5     4     6
  H     1.02131290 +1  111.4829110 +1 -179.9561516 +1     7     1     2