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Completed calculations for C6H5COC6H5 (benzophenone)

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 c2o
PM3 c2o
composite G3 c2e
G3B3 c2e
CBS-Q c2e

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 daug-cc-pVTZ
hartree fock HF c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o   c2o c2o c2o c2o c2o  
density functional LSDA c2o c2o c2o c2o c2o c2o   c2o c2o c2o   c2o c2o c2o      
BLYP c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o   c2o c2o c2o   c2o  
B1B95 c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o   c2o c2o c2o c2o    
B3LYP c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o   c2o c2o c2o   c2o  
B3LYPultrafine   c2o     c2o c2o c2o c2o       c2o c2o c2o c2o c2o  
B3PW91 c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o   c2o c2o c2o      
mPW1PW91 c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o   c2o c2o c2o c2o c2o  
M06-2X c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o c1o c2ov c2o c2o c2o      
PBEPBE c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o   c2o c2o c2o c2o    
PBEPBEultrafine   c2o     c2o c2o c2o c2o       c2o c2o c2o   c2o  
PBE1PBE c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o   c2o c2o c2o c2o c2o  
HSEh1PBE c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o   c2o c2o c2o   c2o  
TPSSh c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o   c2o c2o c2o      
wB97X-D c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o   c2o c2o c2o c2o    
B97D3 c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o c1o c2ov c2o c2o c2o     c1dnf c2dnf
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 daug-cc-pVTZ
Moller Plesset perturbation MP2 c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o   c2o c2o c2o c2o c2o  
MP2=FULL c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o   c2o c2o c2o c2o    
MP4=FULL         c2o       c2o           c2o    
B2PLYP c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o   c2o c2o c2o c2o c2o  
B2PLYP=FULL c2o c2o c2o c2o c2o c2o c2o c2o c2o c2o   c2o c2o c2o c2o    
B2PLYP=FULLultrafine c2o c2o c2o c2o c1o c2ov c2o c2o c2o c2o c2o   c2o c1o c2ov c1o c2ov c2o c1o c2o  
Configuration interaction CID   c2o c2o c2o c2o     c2o                  
CISD   c2o c2o c2o c2o     c2o                  
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 daug-cc-pVTZ
Quadratic configuration interaction QCISD   c2o c2o c2o c2o c2o   c2o c2o       c2o        
QCISD(T)=FULL             c2o           c2o        
Coupled Cluster CCD   c2o c2o c2o c2o c2o   c2o c2o       c2o        
CCSD         c2o               c2o     c2o  
CCSD=FULL         c2o               c2o        
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 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 c2o c2o c2o c2o c2o c2o     c1o c2ov
density functional B3LYP c2o c2o c2o c2o c2o c2o     c1o c2ov
PBEPBE                 c1o c2ov
wB97X-D c2o c2o c2o c2o c2o c2o      
Moller Plesset perturbation MP2 c2o c2o c2o c2o c2o c2o     c1o c2ov
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.