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III.F.2.

Completed calculations for C6H12 (trans-1,2-dimethylcyclobutane)

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
composite G3B3 e

Methods with standard basis sets
3-21G 6-31G* 6-31+G** TZVP cc-pVTZ
hartree fock HF   o   ov  
density functional 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    
B2PLYP   ov     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.