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III.F.2.

Completed calculations for C4H4N2O2 (Uracil)

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

Methods with standard basis sets
6-31G* 6-31+G** TZVP cc-pVTZ
hartree fock HF ov   ov  
density functional B3LYP     ov  
TPSSh ov ov    
Moller Plesset perturbation MP2     o  
MP3   ov    
MP3=FULL ov ov    
B2PLYP       ov
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.