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III.F.2.

Completed calculations for C7H7 (cycloheptatrienyl radical)

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
3-21G 6-31G* 6-31+G** TZVP cc-pVTZ
hartree fock HF   c1o   c1o c2o  
density functional SVWN c1o c1o c1o    
B3LYP       c1o c2o  
M06-2X   c1o      
PBE1PBE   c1o      
HSEh1PBE   c1o      
TPSSh   c1o c1o    
Moller Plesset perturbation MP2       c1o c2o  
MP3     c1o    
MP3=FULL   c1ov c1ov    
B2PLYP   c1ov     c1ov
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.