Accuracy

hconh2-hconh2r   1281 HCONH2-HCONH2 (Geo)

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    #  Species Formula
  1271 1-Nitroso-4-naphthalenolC10H7NO2
  1272 2-Nitroso-1-naphthalenolC10H7NO2
  1273 N,N-Dimethyl 4-methoxybenzamideC10H13NO2
  1274 1-NitroadamantaneC10H15NO2
  1275 2-NitroadamantaneC10H15NO2
  1276 Phenol, 2-[(phenylimino)methyl]-, N-oxideC13H11NO2
  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 ThymineC5H6N2O2
  1288 m-NitroanilineC6H6N2O2
  1289 p-NitroanilineC6H6N2O2
  1290 LysineC6H14N2O2
  1291 IsophthalamideC8H8N2O2


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
HCONH2-HCONH2
 <O -- H> GR=PW91D GWT=30
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  H     1.88927000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.50311639 +1  115.8353095 +1    0.0000000 +0     2     1     0
  H     2.02895949 +1   83.1653453 +1 -177.4868326 +1     3     2     1
  H     1.70747402 +1  148.5883108 +1 -169.4245177 +1     2     1     3
  C     1.22199832 +1  119.4613336 +1    7.8650936 +1     1     2     3
  N     1.37001511 +1  120.2570014 +1   -8.4738400 +1     6     1     2
  H     1.09870430 +1  121.8472558 +1 -178.7549775 +1     6     1     7
  H     1.01916068 +1  120.5428623 +1    2.4491865 +1     7     6     1
  H     0.99563323 +1  122.8689292 +1  170.0506980 +1     7     6     9
  C     1.09759001 +1   30.7633400 +1    0.0302388 +1     4     3     2
  N     0.99539552 +1   32.4569243 +1  177.6747588 +1     5     2     1