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

m-nitrophenol   1345 m-Nitrophenol

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    #  Species Formula
  1335 Nitrate radicalNO3
  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-Nitrophenol C6H5NO3
  1346 o-NitrophenolC6H5NO3
  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


ΔHf: -25.2 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-Nitrophenol
 H=-25.22 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39736379 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39311665 +1  118.7715594 +1    0.0000000 +0     2     1     0
  C     1.39287160 +1  120.6310674 +1    0.0704125 +1     3     2     1
  C     1.39790752 +1  119.0720091 +1   -0.0677756 +1     4     3     2
  C     1.39110366 +1  122.0724785 +1   -0.0504284 +1     5     4     3
  O     1.35513082 +1  122.9336043 +1 -179.9612531 +1     1     2     3
  N     1.46153069 +1  119.0063008 +1 -179.8327383 +1     5     4     6
  O     1.22011076 +1  118.0117311 +1   -8.5409533 +1     8     5     4
  O     1.21916027 +1  118.1963427 +1 -179.8719123 +1     8     5     9
  H     1.08630800 +1  120.7580683 +1 -179.9973943 +1     2     1     3
  H     1.09139830 +1  119.7061954 +1  179.9498936 +1     3     2     4
  H     1.09322347 +1  120.6415137 +1  179.8388486 +1     4     3     5
  H     0.98943367 +1  112.4625840 +1   -0.1626959 +1     7     1     2
  H     1.09392155 +1  122.2230063 +1 -179.6921389 +1     6     5     4