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 QCISD(TQ) /daug-cc-pVTZ

Ions
Species Name
Al- Aluminum atom anion
Si- Silicon atom anion
CH2- methylene anion
SiH5+ Silane, protonated
As- Arsenic anion
As+ Arsenic cation
PH3+ Phosphine cation
OH+ hydoxyl cation
H2O- water anion
H2O- water anion
ArH+ Argon hydride cation
Na2- sodium diatomic anion
C2H2+ acetylene cation
HNC+ hydrogen isocyanide cation
NNH+ Dinitrogen monohydride cation
CH2NH+ Methanimine cation
CO- carbon monoxide anion
CO+ carbon monoxide cation
SiSe+ Silicon Monoselenide cation
NO- nitric oxide anion
SO+ sulfur monoxide cation
HNO+ Nitrosyl hydride cation
HSO+ Sulfur Monoxide, S-protonated
SOH+ Sulfur Monoxide, protonated
H2CO+ formaldehyde cation
F2+ flourine diatomic cation
Cl2+ chlorine diatomic cation
HOCl+ hypochlorous acid cation
ClFH+ Chlorine fluoride, F-protonated
FClH+ Chlorine fluoride, Cl-protonated