Accuracy

uracil   1286 Uracil

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    #  Species Formula
  1276 Phenol, 2-[(phenylimino)methyl]-, N-oxideC13H11NO2
  1277 Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxideC14H13NO2
  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 Uracil C4H4N2O2
  1287 ThymineC5H6N2O2
  1288 m-NitroanilineC6H6N2O2
  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


ΔHf: -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