PM7 Accuracy

thymine   1290 Thymine

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    #  Species Formula
  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 UracilC4H4N2O2
  1290 Thymine C5H6N2O2
  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
  1300 Imidodicarbonic diamideC2H5N3O2


DHf: -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