return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at PBEPBE /aug-cc-pV(T+d)Z

Ions
Species Name
PH4+ phosphonium cation
H2S+ Hydrogen sulfide cation
H3S+ Sulfonium cation
Cl- Chlorine atom anion
LiS+ Lithium sulfide cation
S2+ sulfur diatomic cation
H2S2+ hydrogen disulfide cation
CH3SH2+ protonated methylsulfide
GeCl+ Germanium monochloride cation
SCl+ sulfur monochloride cation
Cl2- chlorine diatomic anion
Cl2+ chlorine diatomic cation
S3+ Sulfur trimer cation
SiF5- silicon pentafluoride anion
PF6- Hexafluorophosphate ion