Accuracy

m-nitroaniline   1288 m-Nitroaniline

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    #  Species Formula
  1278 N-(3-Phenoxy-2-hydroxypropyl)anilineC15H17NO2
  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-Nitroaniline C6H6N2O2
  1289 p-NitroanilineC6H6N2O2
  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


ΔHf: 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