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III.F.2.

Completed calculations for SH+ (sulfur monohydride 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 s1ov
PM3 s1ov
composite G1 s1e
G2MP2 s1e
G2 s1e
G3 s1e
G3B3 s1e
G3MP2 s1e
G4 s1e
CBS-Q s1e

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) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ cc-pV(T+d)Z
hartree fock HF s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s2ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov
density functional LSDA s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov   s1ov s1ov s1ov s1ov s1ov s1ov  
SVWN   s1ov s2ov     s1ov s2o   s1ov s2ov                      
BLYP s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov   s1ov s1ov          
B1B95 s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov   s1ov s1ov s1ov   s1ov s1ov  
B3LYP s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s2ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov
B3LYPultrafine         s1ov                     s1ov    
B3PW91 s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov   s1ov s1ov          
mPW1PW91 s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov   s1ov s1ov          
M06-2X         s1ov s2ov                          
PBEPBE s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov   s1ov s1ov s1ov     s1ov  
PBE1PBE         s1ov s2ov                          
HSEh1PBE         s1ov                          
TPSSh         s1ov   s1ov                      
Moller Plesset perturbation MP2 s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s2ov s1ov s1ov s1ov s1ov s1ov s1ov s1o
MP2=FULL s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov   s1ov s1ov s1ov     s1ov s1ov
MP3         s1ov   s1o                      
MP3=FULL         s1ov   s1ov                      
MP4   s1ov     s1ov       s1ov       s1ov          
B2PLYP         s1ov s2ov               s1ov          
Configuration interaction CID   s1ov s1ov s1ov s1ov     s1ov                    
CISD   s1ov s1ov s1ov s1ov     s1ov                    
Quadratic configuration interaction QCISD   s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov   s1ov s1ov          
QCISD(T)         s1ov             s1ov s1ov   s1ov s1ov    
Coupled Cluster CCD   s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov   s1ov s1ov   s1ov s1ov    
CCSD         s1ov                          
CCSD(T)                       s1ov s1ov   s1ov s1ov   s1ov
CCSD(T)=FULL         s1ov                          

Methods with effective core potentials (select basis sets)
CEP-31G CEP-31G* CEP-121G CEP-121G* LANL2DZ SDD
hartree fock HF s1ov s1ov s1ov s1ov s1ov s1ov
density functional B3LYP s1ov s1ov s1ov s1ov s1ov s1ov
Moller Plesset perturbation MP2 s1ov s1ov s1ov s1ov s1ov s1ov

Single point energy calculations (select basis sets)
cc-pVTZ aug-cc-pVTZ
Moller Plesset perturbation MP2FC// B3LYP/6-31G* s1e  
MP2FC// MP2FC/6-31G*   s1e
Coupled Cluster CCSD(T)// B3LYP/6-31G* s1e  
CCSD// MP2FC/6-31G*   s1e
CCSD(T)// MP2FC/6-31G*   s1e
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.