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Completed calculations for C2H5+ (Ethyl 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
semi-empirical AM1 c1o
PM3 c1o c2ov
composite G1 c1e
G2MP2 c1e
G2 c1e
G3 c1e
G3B3 c1e
G3MP2 c2e
G4 c1e c2e
CBS-Q c1e

Methods with standard basis sets
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ daug-cc-pVTZ
hartree fock HF c1o c2ov c1o c2ov c1o c2ov c1o c2ov c1ov c2ov c1ov c1ov c2ov c1ov c1ov c1ov   c1ov c2ov c1ov c1ov c2ov c1ov c1ov c1ov c1ov c1ov c2ov
density functional LSDA c1o c2ov c1ov c1ov c1ov c1ov c1ov c1ov c1ov c1ov c1ov     c1ov c1ov   c1ov      
BLYP c1o c2ov c1o c2ov c1o c2ov c1o c2ov c1ov c2ov c1ov c1ov c1ov c1ov c1ov     c1ov c1ov          
B1B95 c1o c2ov c1ov c1ov c1ov c1ov c1ov c1ov c1ov c1ov c1ov     c1ov c1ov   c1ov c1ov    
B3LYP c1o c1o c2ov c1o c2ov c1o c2ov c1ov c2ov c1ov c1ov c1ov c1ov c1ov   c1ov c2ov c1ov c1ov c1ov c1ov c1ov c1ov  
B3LYPultrafine         c1ov                       c2ov    
B3PW91 c1o c2ov c1o c2ov c1o c2ov c1ov c1ov c2ov c1ov c1ov c1ov c1ov c1ov     c1ov c1ov          
mPW1PW91 c1o c2ov c1ov c1ov c1ov c1ov c2ov c1ov c1ov c1ov c1ov c1ov     c1ov c1ov          
M06-2X     c1ov c2ov   c1ov           c1ov                
PBEPBE c1o c2ov c1ov c1ov c1ov c1ov c2ov c1ov c1ov c1ov c1ov c1ov     c1ov c1ov          
PBE1PBE         c1ov                            
HSEh1PBE         c1o                            
TPSSh         c1ov c2ov   c1ov c2ov     c1ov c2ov       c1ov c2ov          
wB97X-D     c1ov c2ov   c1ov c2ov   c1ov c2ov   c1ov c2ov     c1ov c2ov c1ov c2ov c1ov c2ov     c1ov c2ov    
B97D3   c1o c2o     c1ov c2ov   c1ov c2ov   c1ov c2ov   c1ov c2ov c1ov c2ov   c1ov c2ov     c1ov c2ov   c1ov
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ daug-cc-pVTZ
Moller Plesset perturbation MP2 c1o c2ov c1ov c1ov c1ov c1ov c2ov c1ov c1ov c1ov c2ov c1ov c1ov   c1ov c2ov c1ov c1ov   c1ov      
MP2=FULL c1o c2ov c1ov c1ov c1ov c1ov c1ov c1ov c1ov c1ov c1ov     c1ov c1ov   c1ov      
MP3         c1ov   c1o c2o                        
MP3=FULL         c1ov c2ov   c1ov c2ov                        
MP4   c1ov     c1ov       c1ov         c1ov          
B2PLYP                           c1ov c2ov          
B2PLYP=FULLultrafine         c1ov               c1ov c1ov     c1ov    
Configuration interaction CID   c1ov c1ov c1ov c1ov     c1ov                      
CISD   c1ov c1ov c1ov c1ov     c1ov                      
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ daug-cc-pVTZ
Quadratic configuration interaction QCISD   c1ov c1ov c1ov c1ov c1ov c1ov c1ov         c1ov            
QCISD(T)         c1ov                            
Coupled Cluster CCD   c1ov c1ov c1ov c1ov c1ov c1ov c1ov         c1ov            
CCSD         c1ov                            
CCSD(T)         c1ov               c1ov c1ov   c1ov c1ov    
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ daug-cc-pVTZ

Methods with effective core potentials (select basis sets)
CEP-31G CEP-31G* CEP-121G CEP-121G* LANL2DZ SDD cc-pVTZ-PP aug-cc-pVTZ-PP Def2TZVPP
hartree fock HF c1o c2ov c1ov c1o c2ov c1ov c1o c2ov c1o c2ov     c1ov c2ov
density functional B3LYP c1o c2ov c1ov c1o c2ov c1ov c1o c2ov c1o c2ov     c1ov c2ov
PBEPBE                 c1ov c2ov
Moller Plesset perturbation MP2 c1ov c1ov c1ov c1ov c1ov c1ov     c1ov c2ov

Single point energy calculations (select basis sets)
cc-pVTZ aug-cc-pVTZ
Moller Plesset perturbation MP2FC// B3LYP/6-31G* c1e  
MP2FC// MP2FC/6-31G*   c1e
Coupled Cluster CCSD(T)// B3LYP/6-31G* c1e  
CCSD// MP2FC/6-31G*   c1e
CCSD(T)// MP2FC/6-31G*   c1e
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.