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III.F.2.

Completed calculations for HCl- (hydrogen chloride anion)

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 ov
PM3 ov
composite G1 e
G2MP2 e
G2 e
G3 e
G3B3 e
G3MP2 e
CBS-Q e

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

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