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III.F.2.

Completed calculations for C10H8 (Azulene)

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 c1e
G4 c1e

Methods with standard basis sets
6-31G* 6-31+G** TZVP cc-pVTZ aug-cc-pVTZ
hartree fock HF c1o c1o c1o c2ov    
density functional B3LYP c1ov c1ov c1ov c2ov    
B3LYPultrafine         c1ov
PBE1PBE c1ov        
TPSSh c1ov c1ov      
Moller Plesset perturbation MP2     c1o c2o c1ov  
MP2=FULL       c1ov  
MP3   c1o      
MP3=FULL c1o c1ov      
B2PLYP       c1ov  
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.