PM7 Accuracy

methyldinitramine   1428 Methyldinitramine

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    #  Species Formula
  1418 Dinitrogen tetroxide (Geo)N2O4
  1419 DinitromethaneCH2N2O4
  1420 m-DinitrobenzeneC6H4N2O4
  1421 o-DinitrobenzeneC6H4N2O4
  1422 p-DinitrobenzeneC6H4N2O4
  1423 2,4-DinitrotolueneC7H6N2O4
  1424 DinitrophenylmethaneC7H6N2O4
  1425 N,N'-Bis(m-methoxyphenyl) terephthalamideC22H20N2O4
  1426 N,N'-Bis(o-methoxyphenyl) terephthalamideC22H20N2O4
  1427 N,N'-Bis(p-methoxyphenyl) terephthalamideC22H20N2O4
  1428 Methyldinitramine CH3N3O4
  1429 LiHCO3.2H2OH5LiCO5
  1430 LiHCO3.2H2O (Geo)H5LiCO5
  1431 Tartronic acidC3H4O5
  1432 1,3,5,7,9-pentaoxecaneC5H10O5
  1433 3,5,7,9,11-Pentaoxa-tridecaneC8H18O5
  1434 15-Crown-5C10H20O5
  1435 LiNO3.2H2OH4LiNO5
  1436 LiNO3.2H2O (Geo)H4LiNO5
  1437 Dinitrogen pentoxideN2O5
  1438 SER-SERC6H12N2O5


DHf: 10.3 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
Methyldinitramine
 H=10.3 HR=NIST
  C     0.05901281  1  -0.00702396  1   0.05517040  1
  N     1.54140590  1  -0.01148074  1   0.01911340  1
  N     2.15696365  1   1.27035520  1   0.02803847  1
  N     2.12944511  1  -1.06914429  1  -0.73110473  1
  O     1.33878994  1  -1.91335682  1  -1.09611476  1
  O     3.32443439  1  -1.06231255  1  -0.86281321  1
  O     1.40713048  1   2.17513880  1   0.32868600  1
  O     3.33843478  1   1.32683822  1  -0.18981058  1
  H    -0.29925219  1  -1.01021380  1   0.35844868  1
  H    -0.39522810  1   0.25497085  1  -0.91432497  1
  H    -0.28859445  1   0.71472368  1   0.82091546  1