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Completed calculations for CH3O (Methoxy radical)

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 o
PM3 ov
composite G1 e
G2MP2 e
G2 e
G3 e
G3B3 e
G3MP2 e
G4 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) 6-311+G(3df,2p) TZVP cc-pVDZ cc-pVTZ aug-cc-pVDZ aug-cc-pVTZ cc-pV(T+d)Z daug-cc-pVTZ
hartree fock HF   ov ov o ov ov ov ov   ov ov ov ov ov ov   ov ov
ROHF   o o     o o o         o o     o  
density functional LSDA ov     ov ov     ov                 ov  
BLYP   ov   ov ov ov ov ov         o ov     ov  
B1B95                                 ov  
B3LYP   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  
mPW1PW91   ov     ov ov ov ov         ov ov     ov  
M06-2X     ov   ov           ov              
PBEPBE                     ov           ov  
PBE1PBE         ov                          
HSEh1PBE   ov     ov   ov             ov        
TPSSh         ov   ov     ov       ov        
wB97X-D     ov   ov   ov   ov     ov ov ov   ov    
B97D3   ov     ov   ov   ov   ov ov   ov   ov   ov
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 aug-cc-pVDZ aug-cc-pVTZ cc-pV(T+d)Z daug-cc-pVTZ
Moller Plesset perturbation MP2   ov ov ov ov ov ov ov   ov   ov ov ov ov   ov  
MP2=FULL   ov     ov ov ov ov         ov          
PMP2         o   o                      
MP3             o                      
MP3=FULL         ov   ov                      
B2PLYP         ov                 ov        
B2PLYP=FULLultrafine         ov               ov ov   ov    
Configuration interaction CID         ov     ov                    
CISD   o     ov ov                        
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 aug-cc-pVDZ aug-cc-pVTZ cc-pV(T+d)Z daug-cc-pVTZ
Quadratic configuration interaction QCISD   ov     o ov ov ov ov       ov          
QCISD(T)         o                          
Coupled Cluster CCD         ov     ov                    
CCSD         ov                          
CCSD(T)         o                          
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 aug-cc-pVDZ aug-cc-pVTZ cc-pV(T+d)Z 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 ov ov ov ov         ov
density functional B1B95   ov              
B3LYP ov ov   ov   ov     ov
PBEPBE                 ov
Moller Plesset perturbation MP2 ov ov   ov ov ov     ov

Single point energy calculations (select basis sets)
6-311+G(3df,2p) cc-pVDZ cc-pVTZ aug-cc-pVDZ aug-cc-pVTZ cc-pV(T+d)Z
Moller Plesset perturbation MP2FC// HF/6-31G* e e e e e e
MP2FC// B3LYP/6-31G* e e e e e e
MP2FC// MP2FC/6-31G*   e e e   e
MP4// HF/6-31G*           e
MP4// B3LYP/6-31G*           e
MP4// MP2/6-31G*           e
Coupled Cluster CCSD// HF/6-31G* e e e e   e
CCSD(T)// HF/6-31G* e e e e   e
CCSD// B3LYP/6-31G* e e e e   e
CCSD(T)// B3LYP/6-31G*   e e e   e
CCSD(T)//B3LYP/6-31G(2df,p)     e     e
CCSD// MP2FC/6-31G*   e e e   e
CCSD(T)// MP2FC/6-31G*   e e e   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.