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Completed calculations for CHCl2CClF2 (Ethane, 1,2,2-trichloro-1,1-difluoro-)

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
6-31G* cc-pVDZ cc-pVTZ aug-cc-pVTZ
hartree fock HF c1ov c2ov      
6-31G* cc-pVDZ cc-pVTZ aug-cc-pVTZ
Moller Plesset perturbation MP2     c1ov c2ov  
B2PLYP       c1ov c2ov
B2PLYP=FULLultrafine c1ov c1ov c1ov c1o
6-31G* cc-pVDZ cc-pVTZ aug-cc-pVTZ

Barriers to internal rotation or inversion


Methods with predefined basis sets

Methods with standard basis sets
6-31G* cc-pVTZ aug-cc-pVTZ
hartree fock HF s1c1t255 s1c1t1  
density functional B3LYP s1c1t1 s1c1t1  
wB97X-D s1c1t1 s1c1t1  
6-31G* cc-pVTZ aug-cc-pVTZ
Moller Plesset perturbation MP2 s1c1t1 s1c1t1  
B2PLYP     s1c1t1
Coupled Cluster CCSD s1c1t1 s1c1t1  
6-31G* cc-pVTZ aug-cc-pVTZ
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.