PM7 Accuracy

pyrazine-1,4-dioxide   1288 Pyrazine-1,4-dioxide

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    #  Species Formula
  1278 2-NitroadamantaneC10H15NO2
  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-dioxide C4H4N2O2
  1289 UracilC4H4N2O2
  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


DHf: 36.3 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
Pyrazine-1,4-dioxide
 H=36.3 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37490684  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.38774933  1  120.7199286  1    0.0000000  0     2     1     0
  N     1.37480392  1  120.7782807  1    0.0339454  1     3     2     1
  C     1.37551843  1  118.4979044  1    0.0141086  1     4     3     2
  C     1.37547713  1  118.5139581  1    0.0096164  1     1     2     3
  O     1.24549226  1  120.7582745  1  179.9997603  1     1     2     3
  O     1.24549163  1  120.7724553  1  179.9989389  1     4     3     2
  H     1.09658400  1  117.4532593  1 -179.9981860  1     2     1     6
  H     1.09668310  1  121.7558758  1 -179.9986529  1     3     2     1
  H     1.09669559  1  117.3757072  1  179.9955875  1     5     4     3
  H     1.09670811  1  117.3690359  1  179.9939002  1     6     1     2