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III.F.2.

Completed calculations for GeH4 (Germane)

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 G1 e
G2MP2 e
G2 e
G3 e
G3B3 e
G4 e
CBS-Q e

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) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ
hartree fock HF ov ov ov ov ov ov ov ov ov ov ov ov ov ov ov ov ov
density functional LSDA ov ov ov ov ov ov ov ov ov ov   ov ov   ov ov  
BLYP ov ov ov ov ov ov ov ov ov ov   ov ov        
B1B95 ov ov ov ov ov ov ov ov ov ov   ov ov   ov ov  
B3LYP ov ov ov ov ov ov ov ov ov ov ov ov ov ov ov ov ov
B3LYPultrafine         ov                     ov  
B3PW91 ov ov ov ov ov ov ov ov ov ov   ov ov        
mPW1PW91 ov ov ov ov ov ov ov ov ov ov   ov ov   ov ov  
PBEPBE ov ov ov ov ov ov ov ov ov ov   ov ov   ov ov  
PBE1PBE         ov                        
TPSSh         ov   ov                    
Moller Plesset perturbation MP2 ov ov ov ov ov ov ov ov ov ov ov ov ov   ov ov ov
MP2=FULL ov ov ov ov ov ov ov ov ov ov   ov ov   ov ov ov
MP3         ov   o                    
MP3=FULL         ov   ov                    
MP4   ov     ov       ov       ov        
B2PLYP                         ov        
Configuration interaction CID   ov ov ov ov     ov                  
CISD   ov ov ov ov     ov                  
Quadratic configuration interaction QCISD   ov ov ov ov ov ov ov ov ov   ov ov   ov ov  
QCISD(T)         ov             ov ov        
Coupled Cluster CCD   ov ov ov ov ov ov ov ov ov   ov ov   ov ov  
CCSD         ov             ov ov        
CCSD(T)         ov             ov ov ov ov ov ov
CCSD(T)=FULL         ov             ov ov ov ov ov o

Methods with effective core potentials (select basis sets)
CEP-31G CEP-31G* CEP-121G CEP-121G* LANL2DZ SDD
hartree fock HF ov   ov   ov ov
density functional B3LYP ov   ov   ov ov
Moller Plesset perturbation MP2 ov   ov   ov ov

Single point energy calculations (select basis sets)
aug-cc-pVTZ
Moller Plesset perturbation MP2FC// MP2FC/6-31G* e
Coupled Cluster CCSD// MP2FC/6-31G* e
CCSD(T)// MP2FC/6-31G* e
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.