PM7 Accuracy

m-nitroaniline   1291 m-Nitroaniline

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    #  Species Formula
  1281 N-(3-Phenoxy-2-hydroxypropyl)anilineC15H17NO2
  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-Nitroaniline C6H6N2O2
  1292 p-NitroanilineC6H6N2O2
  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


DHf: 14.9 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-Nitroaniline
 H=14.9 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.41249170  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40771931  1  119.8664040  1    0.0000000  0     2     1     0
  C     1.39116814  1  118.4295725  1    0.7692326  1     3     2     1
  C     1.39360145  1  122.3775397  1   -0.3783426  1     4     3     2
  C     1.38687765  1  119.9242994  1   -0.7785988  1     1     2     3
  N     1.38405849  1  120.1388561  1  177.6134447  1     2     1     3
  N     1.46225926  1  118.6323549  1 -179.8386503  1     4     3     5
  O     1.22028066  1  118.2174824  1 -177.5229173  1     8     4     3
  O     1.22054491  1  118.2652384  1 -179.9503714  1     8     4     9
  H     1.09057245  1  120.9137735  1  179.5465395  1     3     2     4
  H     0.99734003  1  119.9919215  1  170.2476131  1     7     2     1
  H     1.09160170  1  119.7417763  1 -179.6488536  1     6     1     2
  H     1.09138447  1  120.7983006  1  179.9166581  1     5     4     3
  H     0.99577645  1  120.0046490  1 -157.9975375  1     7     2    12
  H     1.08649116  1  119.8528528  1 -179.4747534  1     1     2     6