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III.F.2.

Completed calculations for NH2CONH2+ (Urea cation)

Methods and basis sets for which an energy has been calculated. "e" indicates just an energy has been calculated. "o" indicates an optimized geometry. "v" indicates vibrational frequencies. "s" followed by a number indicates completed calculations for different states (for example s1ov). "c" followed by a number indicates completed calculations for different conformations (for example c2ov).
See the Calculated Energies page (section III.A.1) for more calculated properties.
Methods with predefined basis sets
composite G3B3 e
G4 e

Methods with standard basis sets
3-21G 6-31G* 6-31+G** TZVP cc-pVTZ
hartree fock HF   ov   ov  
density functional SVWN ov o ov    
B3LYP       o  
M06-2X   o      
PBE1PBE   o      
HSEh1PBE   o      
TPSSh   ov ov   o
Moller Plesset perturbation MP2       o  
MP3     o    
MP3=FULL   o o    
B2PLYP   o     o
For descriptions of the methods (AM1, HF, MP2, ...) and basis sets (3-21G, 3-21G*, 6-31G, ...) see the glossary in section I.C. Predefined means the basis set used is determined by the method.