PM7 Accuracy

p-nitroaniline   1292 p-Nitroaniline

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    #  Species Formula
  1282 NH2-NO2 (Geo)H2N2O2
  1283 OxalamideC2H4N2O2
  1284 HCONH2-HCONH2 (Geo)C2H6N2O2
  1285 N-NitrodimethylamineC2H6N2O2
  1286 Acetyl-ureaC3H6N2O2
  1287 PropanediamideC3H6N2O2
  1288 Pyrazine-1,4-dioxideC4H4N2O2
  1289 UracilC4H4N2O2
  1290 ThymineC5H6N2O2
  1291 m-NitroanilineC6H6N2O2
  1292 p-Nitroaniline C6H6N2O2
  1293 LysineC6H14N2O2
  1294 IsophthalamideC8H8N2O2
  1295 TeraphthalamideC8H8N2O2
  1296 N,N-Dimethyl-m-nitroanilineC8H10N2O2
  1297 N,N-Dimethyl-p-nitroanilineC8H10N2O2
  1298 TryptophanC11H12N2O2
  1299 Be(II)N2O2 (XEFSEG) (Geo)H16BeC22N2O2
  1300 Imidodicarbonic diamideC2H5N3O2
  1301 HistidineC6H9N3O2
  1302 ArgenineC6H14N4O2


DHf: 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