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Completed calculations for F+ (Fluorine atom 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 s1o s2o
PM3 s1o s2o
composite G1 s1e s2e
G2MP2 s1e s2e
G2 s1e s2e
G3 s1e s2e
G3B3 s1e s2e
G3MP2 s1e
G4 s1e s2e
CBS-Q s1e s2e

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) 6-311+G(3df,2pd) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ daug-cc-pVTZ
hartree fock HF s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o
ROHF s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o  
density functional LSDA s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
BLYP s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
B1B95 s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
B3LYP s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o  
B3LYPultrafine s1o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
B3PW91 s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
mPW1PW91 s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
M06-2X s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
PBEPBE s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
PBEPBEultrafine s1o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
PBE1PBE s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
HSEh1PBE s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
TPSSh s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o     s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o  
wB97X-D s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o     s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o  
B97D3 s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o   s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o  
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) 6-311+G(3df,2pd) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ daug-cc-pVTZ
Moller Plesset perturbation MP2 s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o  
MP2=FULL s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o  
ROMP2 s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o     s1o s2o s1o s2o s1o s2o   s1o s2o      
MP3 s1o s1o s1o s1o s1o s2o s1o s1o s2o s1o s1o s1o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s1o s1o  
MP3=FULL   s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o     s1o s2o s1o s2o s1o s2o   s1o s2o s1o s2o    
MP4 s1o s1o s2o s1o s1o s1o s2o s1o s1o s1o s1o s2o s1o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
MP4=FULL s1o s1o s2o s1o s1o s1o s2o s1o s1o s1o s1o s2o s1o s1o s1o s1o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
B2PLYP s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o     s1o s2o s1o s2o s1o s2o   s1o s2o s1o s2o    
B2PLYP=FULL s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o     s1o s2o s1o s2o s1o s2o   s1o s2o s1o s2o    
B2PLYP=FULLultrafine s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o     s1o s2o s1o s2o s1o s2o   s1o s2o s1o s2o    
Configuration interaction CID s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o  
CISD s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o s1o  
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) 6-311+G(3df,2pd) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ daug-cc-pVTZ
Quadratic configuration interaction QCISD s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
QCISD(T) s1o s1o s1o s1o s1o s2o s1o s1o s1o s2o s1o s1o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
QCISD(T)=FULL         s1o s2o   s1o s2o             s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o  
QCISD(TQ) s1o s1o s1o s1o s1o s2o s1o s1o s2o s1o s1o s1o s1o s1o s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o  
QCISD(TQ)=FULL         s1o s2o   s1o s2o             s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o  
Coupled Cluster CCD s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s1o s2o s1o s2o s1o  
CCSD   s1o s1o s1o s1o s2o s1o s1o s1o s1o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o  
CCSD=FULL   s1o s1o s1o s1o s2o s1o s1o s1o s1o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o  
CCSD(T)   s1o s1o s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o  
CCSD(T)=FULL   s1o s1o s1o s1o s2o s1o s1o s1o s1o s1o s1o s1o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o  
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) 6-311+G(3df,2pd) 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 s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o     s1o
ROHF s1o s1o s1o s1o s1o s1o      
density functional LSDA s1o s1o s1o s1o s1o s1o      
BLYP s1o s1o s1o s1o s1o s1o      
B1B95 s1o s1o s1o s1o s1o s1o      
B3LYP s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o     s1o
B3LYPultrafine s1o s1o s1o s1o s1o s1o      
B3PW91 s1o s1o s1o s1o s1o s1o      
mPW1PW91 s1o s1o s1o s1o s1o s1o      
M06-2X s1o s1o s1o s1o s1o s1o      
PBEPBE s1o s1o s1o s1o s1o s1o     s1o
PBEPBEultrafine s1o s1o s1o s1o s1o s1o      
PBE1PBE s1o s1o s1o s1o s1o s1o      
HSEh1PBE s1o s1o s1o s1o s1o s1o      
wB97X-D s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o      
Moller Plesset perturbation MP2 s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o s1o s2o     s1o
MP2=FULL s1o s1o s1o s1o s1o s1o      
MP3 s1o s1o s1o s1o s1o s1o      
MP4 s1o s1o s1o s1o s1o s1o      
MP4=FULL s1o s1o s1o s1o s1o s1o      
Configuration interaction CID s1o s1o s1o s1o s1o s1o      
CISD s1o s1o s1o s1o s1o s1o      
Quadratic configuration interaction QCISD s1o s1o s1o s1o s1o s1o      
QCISD(T) s1o s1o s1o s1o s1o s1o      
QCISD(TQ) s1o s1o s1o s1o s1o s1o      
Coupled Cluster CCD s1o s1o s1o s1o s1o s1o      
CCSD s1o s1o s1o s1o s1o s1o      
CCSD=FULL s1o s1o s1o s1o s1o s1o      
CCSD(T) s1o s1o s1o s1o s1o s1o      
CCSD(T)=FULL s1o s1o s1o s1o s1o s1o      

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