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III.F.2.

Completed calculations for NO3- (nitrate 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

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 cc-pV(T+d)Z
hartree fock HF         ov           ov        
density functional LSDA ov ov ov ov ov ov ov ov ov ov   ov ov ov ov
SVWN   ov     ov   ov                
B3LYP                     ov        
M06-2X         ov                    
PBE1PBE         ov                    
HSEh1PBE         ov                    
TPSSh         ov   ov                
Moller Plesset perturbation MP2                     ov        
MP3             o                
MP3=FULL         ov   ov                
MP4                         ov    
B2PLYP                         ov    
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.