Accuracy

p-nitroaniline   1289 p-Nitroaniline

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    #  Species Formula
  1279 NH2-NO2 (Geo)H2N2O2
  1280 OxalamideC2H4N2O2
  1281 HCONH2-HCONH2 (Geo)C2H6N2O2
  1282 N-NitrodimethylamineC2H6N2O2
  1283 Acetyl-ureaC3H6N2O2
  1284 PropanediamideC3H6N2O2
  1285 Pyrazine-1,4-dioxideC4H4N2O2
  1286 UracilC4H4N2O2
  1287 ThymineC5H6N2O2
  1288 m-NitroanilineC6H6N2O2
  1289 p-Nitroaniline C6H6N2O2
  1290 LysineC6H14N2O2
  1291 IsophthalamideC8H8N2O2
  1292 TeraphthalamideC8H8N2O2
  1293 N,N-Dimethyl-m-nitroanilineC8H10N2O2
  1294 N,N-Dimethyl-p-nitroanilineC8H10N2O2
  1295 TryptophanC11H12N2O2
  1296 Be(II)N2O2 (XEFSEG) (Geo)H16BeC22N2O2
  1297 Imidodicarbonic diamideC2H5N3O2
  1298 HistidineC6H9N3O2
  1299 ArgenineC6H14N4O2


ΔHf: 13.2 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
p-Nitroaniline
 H=13.2 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.41629792 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38151802 +1  119.6353266 +1    0.0000000 +0     2     1     0
  C     1.40329999 +1  119.8497072 +1    0.0137833 +1     3     2     1
  C     1.40337383 +1  120.8618620 +1    0.0025042 +1     4     3     2
  C     1.38112339 +1  119.8676908 +1   -0.0310028 +1     5     4     3
  N     1.37222740 +1  119.9238127 +1  179.9514973 +1     1     2     3
  N     1.44063639 +1  119.5868727 +1 -179.9843959 +1     4     3     5
  O     1.22263392 +1  118.4407664 +1 -179.9331575 +1     8     4     3
  O     1.22261512 +1  118.4490061 +1 -179.9790300 +1     8     4     9
  H     1.08558279 +1  120.0641765 +1 -179.9838990 +1     2     1     3
  H     1.09703687 +1  120.5416668 +1  179.9984707 +1     3     2     4
  H     0.99564713 +1  121.3774487 +1   -0.0574211 +1     7     1     2
  H     1.08559408 +1  120.3140893 +1  179.9902874 +1     6     5     4
  H     1.09710154 +1  119.5495545 +1 -179.9998855 +1     5     4     6
  H     0.99564917 +1  121.3721186 +1 -179.9314901 +1     7     1    13