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Completed calculations for PN+ (phosphorus nitride 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 ov
composite G1 e
G2MP2 e
G2 e
G3 e
G3B3 e
G4 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) 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 ov 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 ov 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 ov  
B3LYPultrafine         ov                       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   ov           ov                
PBEPBE ov ov ov ov ov ov ov ov ov ov     ov ov 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 cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ daug-cc-pVTZ
Moller Plesset perturbation MP2 ov ov ov ov ov ov ov ov ov ov   ov ov ov ov ov ov ov  
MP2=FULL ov ov ov ov ov ov ov ov ov ov     ov ov ov     ov  
MP3         ov   o                        
MP3=FULL         ov                            
MP4   ov     ov       ov         ov          
B2PLYP         ov                 ov          
B2PLYP=FULLultrafine         ov               ov ov     ov    
Configuration interaction CID   ov ov ov ov     ov                      
CISD   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 cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ daug-cc-pVTZ
Quadratic configuration interaction QCISD   ov ov ov ov ov ov ov ov ov     ov ov          
QCISD(T)                         ov ov     ov    
Coupled Cluster CCD   ov ov ov ov ov ov ov ov ov     ov ov   ov ov    
CCSD(T)                         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 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 ov ov ov ov ov ov     ov
density functional B3LYP ov ov ov ov ov ov     ov
PBEPBE                 ov
Moller Plesset perturbation MP2 ov 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.