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Completed calculations for Se2+ (selenium diatomic 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 PM3 s1ov
composite G1 s1e
G2MP2 s1e
G2 s1e
G3B3 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) 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 s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov   s1ov 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  
BLYP s1ov s1ov s1ov s1ov s1ov   s1ov     s1ov     s1ov s1ov          
B1B95 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 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   s1ov           s1ov                
PBEPBE s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov     s1ov s1ov s1ov     s1ov  
PBE1PBE         s1ov                            
HSEh1PBE   s1ov     s1ov   s1ov             s1ov          
TPSSh         s1ov   s1ov     s1ov       s1ov          
wB97X-D     s1ov   s1ov   s1ov   s1ov     s1ov s1ov s1ov     s1ov    
B97D3   s1ov     s1ov   s1ov   s1ov   s1ov s1ov   s1ov     s1ov   s1ov
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 s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov   s1ov s1ov     s1ov      
MP2=FULL 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                 s1ov          
B2PLYP=FULLultrafine         s1ov               s1ov s1ov     s1ov    
Configuration interaction CID   s1ov s1ov s1ov s1ov     s1ov                      
CISD   s1ov s1ov s1ov s1ov     s1ov                      
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   s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov     s1ov s1ov          
QCISD(T)         s1ov               s1ov s1ov   s1ov      
Coupled Cluster CCD   s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov s1ov     s1ov s1ov   s1ov      
CCSD         s1ov                            
CCSD(T)                         s1ov s1ov   s1ov      
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 s1ov   s1ov   s1ov s1ov     s1ov
density functional B3LYP s1ov   s1ov   s1ov s1ov     s1ov
PBEPBE                 s1ov
Moller Plesset perturbation MP2 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.