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 ROHF /cc-pV(T+d)Z

Ions
Species Name
H+ Hydrogen atom cation
He2+ helium diatomic cation
CH2+ methylene cation
H2S+ Hydrogen sulfide cation
H3S+ Sulfonium cation
HCl+ hydrogen chloride cation
H2Cl+ dihydrogen monochloride cation
Be2- Beryllium diatomic anion
BC- boron monocarbide anion
BeN- Beryllium mononitride anion
LiO- lithium oxide anion
LiO+ lithium oxide cation
BeO- Beryllium monoxide anion
BeO+ Beryllium monoxide cation
BO- boron monoxide anion
S2+ sulfur diatomic cation
HSO+ Sulfur Monoxide, S-protonated
SOH+ Sulfur Monoxide, protonated
H2S2+ hydrogen disulfide cation
LiF- lithium fluoride anion
LiF+ lithium fluoride cation
BeF- Beryllium monofluoride anion
BeF+ Beryllium monofluoride cation
CF- carbon monofluoride anion
SF+ sulfur monofluoride cation
SCl+ sulfur monochloride cation
Cl2- chlorine diatomic anion
Cl2+ chlorine diatomic cation
S3- Sulfur trimer anion
S3+ Sulfur trimer cation
PF6- Hexafluorophosphate ion