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III.F.2.

Completed calculations for CH3+ (methyl 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
G3MP2 e
G4 e

Methods with standard basis sets
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) TZVP cc-pVDZ cc-pVTZ aug-cc-pVDZ aug-cc-pVTZ cc-pV(T+d)Z
hartree fock HF   ov     ov ov           ov   ov ov
density functional LSDA ov ov ov ov ov ov ov ov ov   ov ov ov   ov
B1B95   ov     ov ov           ov     ov
B3LYP   ov     ov ov     ov ov   ov   ov ov
B3LYPultrafine                           ov  
PBEPBE   ov     ov ov           ov     ov
HSEh1PBE         ov                    
TPSSh         ov ov           ov      
Moller Plesset perturbation MP2   ov     ov ov       ov   ov   ov ov
MP2=FULL   ov     ov ov           ov   ov ov
MP3           o                  
MP3=FULL         ov ov                  
MP4                       ov      
B2PLYP                       ov      
Coupled Cluster CCSD(T)         ov ov           ov   ov ov

Single point energy calculations (select basis sets)
cc-pVTZ aug-cc-pVTZ
Moller Plesset perturbation MP2FC// B3LYP/6-31G* e  
MP2FC// MP2FC/6-31G*   e
Coupled Cluster CCSD(T)// B3LYP/6-31G* e  
CCSD// MP2FC/6-31G*   e
CCSD(T)// MP2FC/6-31G*   e
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.