return to home page

III.F.2.

Completed calculations for SiH(CH3)3 (trimethylsilane)

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
G4 e

Methods with standard basis sets
3-21G 6-31G* 6-31+G** TZVP cc-pVTZ cc-pV(T+d)Z
hartree fock HF   o   ov   ov
density functional SVWN ov ov ov      
B3LYP       ov   ov
M06-2X   ov        
PBE1PBE   ov        
HSEh1PBE   ov        
TPSSh   ov ov      
Moller Plesset perturbation MP2       ov   o
MP2=FULL           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.