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Release 17bSeptember 2015
NIST Standard Reference Database 101
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XIXIndex of properties
XXH-bond dimers
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III.F.2.

Completed calculations for SiH2 (silicon dihydride)

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
semi-empirical AM1 s2ov
PM3 s2ov
composite G1 s1e s2e
G2MP2 s1e s2e
G2 s1e s2e
G3 s2e
G3B3 s1e s2e
G3MP2 s1e
G4 s1e s2e
CBS-Q s2e

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) 6-311+G(3df,2p) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ cc-pV(T+d)Z aug-cc-pV(T+d)Z
hartree fock HF s2ov s2ov s2ov s2ov s1ov s2ov s2ov s1ov s2ov s2ov s2ov s2ov   s2ov s2ov s2ov s2ov s2ov s2ov s2ov s1ov s2ov s1ov s2ov
ROHF   s2ov s2ov s2ov s2ov s2ov s2ov s2ov s2ov     s2ov s2ov s2ov s2ov s2ov s2ov s2ov s1ov s2ov s1ov s2ov
density functional LSDA s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov
SVWN   s1ov s2ov     s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov
BLYP s2ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s2ov s1ov s2ov s1ov s2ov s2ov s2ov   s2ov s2ov s1ov s2ov         s1ov s2ov s1ov s2ov
B1B95 s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov
B3LYP s2ov s2ov s2ov s1ov s2ov s2ov s2ov s2ov s1ov s2ov s2ov s2ov   s2ov s1ov s2ov s2ov s2ov s1ov s2ov s2ov s2ov s1ov s2ov s1ov s2ov
B3LYPultrafine         s1ov s2ov   s1ov         s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov   s1ov s1ov
B3PW91 s2ov s2ov s1ov s2ov s1ov s2ov s2ov s2ov s1ov s2ov s1ov s2ov s2ov s2ov   s2ov s1ov s2ov s1ov s2ov         s1ov s2ov s1ov s2ov
mPW1PW91 s2ov s2ov s2ov s2ov s2ov s2ov s2ov s2ov s2ov s2ov   s2ov s2ov s2ov   s2ov s2ov   s1ov s2ov s1ov s2ov
M06-2X s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov
PBEPBE s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov
PBEPBEultrafine         s1ov s2ov             s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov   s1ov s1ov
PBE1PBE s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov
HSEh1PBE s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1o s2ov s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov
TPSSh   s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov   s1ov s2ov s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov   s1ov s2ov s1ov s2ov
wB97X-D     s1ov s2ov   s1ov s2ov       s1ov s2ov         s1ov s2ov     s1ov s2ov      
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ cc-pV(T+d)Z aug-cc-pV(T+d)Z
Moller Plesset perturbation MP2 s2ov s2ov s2ov s2ov s1ov s2ov s2ov s1ov s2ov s1ov s2ov s2ov s2ov   s2ov s2ov s2ov s2ov s1ov s2ov s2ov s2ov s1ov s2ov s1ov s2ov
MP2=FULL s2ov s2ov s2ov s2ov s2ov s2ov s2ov s2ov s2ov s2ov   s2ov s2ov s2ov s2ov s2ov s2ov s2ov s1ov s2ov s1ov s2ov
ROMP2 s2ov s2ov s2ov s2ov s2ov s2ov s2ov s2ov s2ov s2ov   s2ov s2ov s2ov   s2ov     s2ov s2ov
MP3         s1ov s2ov   s1ov s2ov         s1ov s2ov s1ov s2ov s1ov s2ov         s1ov s2ov s1ov s2ov
MP3=FULL         s1ov s2ov   s1ov s2ov         s1ov s2ov s1ov s2ov s1ov s2ov         s1ov s2ov s1ov s2ov
MP4   s2ov     s1ov s2ov     s1ov s2ov     s2ov s2ov s2ov   s2ov s2ov   s1ov s2ov s1ov s2ov
MP4=FULL   s2ov     s2ov       s2ov       s2ov s2ov   s2ov s2ov   s1ov s2ov s1ov s2ov
B2PLYP         s1ov s2ov                              
B2PLYP=FULLultrafine         s1ov                              
Configuration interaction CID   s2ov s2ov s2ov s1ov s2ov     s1ov s2ov           s1ov         s1ov s2ov s1ov s2ov
CISD   s2ov s2ov s2ov s1ov s2ov s1o   s2ov           s1ov         s1ov s2ov s1ov s2ov
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ cc-pV(T+d)Z aug-cc-pV(T+d)Z
Quadratic configuration interaction QCISD   s2ov s2ov s2ov s2ov s2ov s1ov s2ov s1ov s2ov s2ov s2ov   s2ov s1ov s2ov s2ov   s2ov s2ov   s1ov s2ov s1ov s2ov
QCISD(T)   s2ov     s2ov s2ov s2ov s2ov       s2ov s2ov s2ov   s2ov s2ov   s1ov s2ov s1ov s2ov
Coupled Cluster CCD   s2ov s2ov s2ov s1ov s2ov s2ov s1ov s2ov s1ov s2ov s2ov s2ov   s2ov s1ov s2ov s1ov s2ov   s2ov s2ov   s1ov s2ov s1ov s2ov
CCSD   s2ov     s2ov s2ov s2ov s2ov       s2ov s2ov s2ov s2ov s2ov s2ov s2ov s1ov s2ov s1ov s2ov
CCSD=FULL         s1ov s2ov             s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov
CCSD(T)   s2ov     s2ov s2ov s2ov s2ov       s2ov s2ov s2ov s2ov s2ov s2ov s2ov s1ov s2ov s1ov s2ov
CCSD(T)=FULL         s1ov s2ov             s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) 6-311+G(3df,2p) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ cc-pV(T+d)Z aug-cc-pV(T+d)Z

Methods with effective core potentials (select basis sets)
CEP-31G CEP-31G* CEP-121G CEP-121G* LANL2DZ SDD
hartree fock HF s2ov s2ov s2ov s2ov s2ov s2ov
density functional B1B95 s1ov s1ov        
B3LYP s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov s1ov s2ov
Moller Plesset perturbation MP2 s2ov s2ov s2ov s2ov s2ov s2ov

Single point energy calculations (select basis sets)
6-311+G(3df,2p) cc-pVDZ cc-pVTZ aug-cc-pVDZ aug-cc-pVTZ
Moller Plesset perturbation MP2FC// HF/6-31G*   s1e s1e s1e s1e
MP2FC// B3LYP/6-31G* s1e s1e s1e s1e s1e
MP2FC// MP2FC/6-31G* s1e s1e s1e   s2e
MP4// MP2/6-31G* s1e s1e      
Coupled Cluster CCSD// HF/6-31G* s1e s1e s1e s1e s1e
CCSD(T)// HF/6-31G* s1e s1e s1e s1e s1e
CCSD// B3LYP/6-31G* s1e s1e s1e s1e  
CCSD(T)// B3LYP/6-31G*   s1e s1e s1e  
CCSD(T)//B3LYP/6-31G(2df,p)     s1e    
CCSD// MP2FC/6-31G* s1e s1e s1e s1e s2e
CCSD(T)// MP2FC/6-31G*     s1e s1e s2e
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.