PM7 Accuracy

uracil   1289 Uracil

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    #  Species Formula
  1279 Phenol, 2-[(phenylimino)methyl]-, N-oxideC13H11NO2
  1280 Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxideC14H13NO2
  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 Uracil C4H4N2O2
  1290 ThymineC5H6N2O2
  1291 m-NitroanilineC6H6N2O2
  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


DHf: -72.4 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
Uracil
 H=-72.43 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.45283936  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.35483887  1  121.3104803  1    0.0000000  0     2     1     0
  N     1.38358618  1  121.0638422  1    0.0208127  1     3     2     1
  C     1.41744934  1  121.7825999  1    0.0294097  1     4     3     2
  N     1.42695717  1  115.2890908  1   -0.0005590  1     1     2     3
  O     1.20678571  1  127.8001332  1  179.9866610  1     1     2     3
  O     1.21094766  1  119.8712935  1 -179.9860341  1     5     4     3
  H     1.08775706  1  115.8811484  1 -179.9961804  1     2     1     3
  H     1.09836916  1  123.0716484  1 -179.9964435  1     3     2     1
  H     1.01608017  1  121.2496066  1  179.9961713  1     4     3     2
  H     1.02349997  1  118.4515248  1 -179.9900883  1     6     1     2