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

p-nitrophenol   1347 p-Nitrophenol

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    #  Species Formula
  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-NitrophenolC6H5NO3
  1347 p-Nitrophenol C6H5NO3
  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
  1357 Pro-pro (Geo)C10H16N2O3


ΔHf: -27.4 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-Nitrophenol
 H=-27.41 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.40004151 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38866150 +1  118.4808577 +1    0.0000000 +0     2     1     0
  C     1.40000137 +1  119.4917465 +1   -0.0128125 +1     3     2     1
  C     1.40432825 +1  121.4833572 +1    0.0104337 +1     4     3     2
  C     1.38363922 +1  119.5490404 +1    0.0161577 +1     5     4     3
  O     1.34930508 +1  122.4869202 +1 -179.9667129 +1     1     2     3
  N     1.44788002 +1  119.3122313 +1  179.9829016 +1     4     3     5
  O     1.22111585 +1  118.2998352 +1 -179.8575753 +1     8     4     3
  O     1.22144673 +1  118.2305022 +1  179.9777119 +1     8     4     9
  H     1.08563999 +1  120.9589600 +1  179.9840263 +1     2     1     3
  H     1.09691234 +1  120.5194221 +1 -179.9971518 +1     3     2     4
  H     0.99109993 +1  112.8974102 +1   -0.0047618 +1     7     1     2
  H     1.08891424 +1  121.8277101 +1 -179.9947285 +1     6     5     4
  H     1.09712738 +1  119.7740387 +1  179.9968850 +1     5     4     6