PM7 Accuracy

imidodicarbonic diamide   1300 Imidodicarbonic diamide

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    #  Species Formula
  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
  1299 Be(II)N2O2 (XEFSEG) (Geo)H16BeC22N2O2
  1300 Imidodicarbonic diamide C2H5N3O2
  1301 HistidineC6H9N3O2
  1302 ArgenineC6H14N4O2
  1303 Ozone (Geo)O3
  1304 OzoneO3
  1305 LiOH.2H2OH5LiO3
  1306 LiOH.2H2O (Geo)H5LiO3
  1307 Li(+)(H2O)3H6LiO3
  1308 Li(+)(H2O)3 (Geo)H6LiO3
  1309 Be3O3Be3O3
  1310 Boric acid, B(OH)3 (Geo)H3BO3


DHf: -104.4 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.
  
 BREAK PM7
Imidodicarbonic diamide
 H=-104.4 HR=NIST
  O    -0.05188591  1   0.14708130  1   0.00248579  1
  C    -1.26055985  1  -0.03893015  1   0.00074403  1
  N    -2.14874275  1   1.04076814  1   0.00040916  1
  C    -1.68184482  1   2.39286021  1   0.00010178  1
  O    -2.51740584  1   3.27608342  1   0.00245178  1
  N    -0.33019715  1   2.59828605  1  -0.00460008  1
  N    -1.80729341  1  -1.30552286  1  -0.00027474  1
  H    -3.15562388  1   0.91932540  1  -0.00067123  1
  H     0.34826000  1   1.85069007  1   0.00188758  1
  H     0.00786715  1   3.54301603  1   0.00327705  1
  H    -2.78522214  1  -1.48642215  1  -0.00160172  1
  H    -1.19033990  1  -2.09658225  1  -0.00034846  1