Accuracy

thymine   1287 Thymine

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    #  Species Formula
  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 UracilC4H4N2O2
  1287 Thymine C5H6N2O2
  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
  1297 Imidodicarbonic diamideC2H5N3O2


ΔHf: -78.6 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
Thymine
 H=-78.561 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.46269228 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.35591600 +1  120.6065253 +1    0.0000000 +0     2     1     0
  N     1.38779190 +1  121.3068591 +1   -0.0001445 +1     3     2     1
  C     1.41055802 +1  121.9531820 +1   -0.0161651 +1     4     3     2
  N     1.39461057 +1  116.4944421 +1   -0.0078307 +1     5     4     3
  O     1.20752663 +1  127.3499117 +1  179.9918841 +1     1     2     3
  C     1.48196301 +1  116.0451789 +1 -179.9717208 +1     2     1     3
  O     1.21148732 +1  120.4082534 +1  179.9959353 +1     5     4     6
  H     1.09658554 +1  122.9616433 +1 -179.9994461 +1     3     2     4
  H     1.02362781 +1  117.4020153 +1  179.9954928 +1     6     5     4
  H     1.09664068 +1  113.3770147 +1 -179.7950331 +1     8     2     1
  H     1.10410623 +1  111.1548207 +1 -121.1333585 +1     8     2    12
  H     1.10409499 +1  111.1768167 +1 -117.6794204 +1     8     2    13
  H     1.01554209 +1  120.7441607 +1  179.9990678 +1     4     3     5