return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Resources > Info on Results > Calculations Done > Method and basis set

List of which calculations are completed at QCISD(T)=FULL /cc-pV(T+d)Z

Ions
Species Name
PH4+ phosphonium cation
H2S+ Hydrogen sulfide cation
H3S+ Sulfonium cation
HCl+ hydrogen chloride cation
H2Cl+ dihydrogen monochloride cation
HSO+ Sulfur Monoxide, S-protonated
SOH+ Sulfur Monoxide, protonated
H2S2+ hydrogen disulfide cation
H2CSH+ Thioformaldehyde, protonated
CH3SH2+ protonated methylsulfide
SiF+ silicon monofluoride cation
SF+ sulfur monofluoride cation
SCl+ sulfur monochloride cation
Cl2+ chlorine diatomic cation
CS3-- Carbonotrithioate
SiF5- silicon pentafluoride anion