National Institute of Standards and Technology

Computational Chemistry Comparison and Benchmark DataBase
Release 22	May 2022
NIST Standard Reference Database 101

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities

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Please send questions, comments, corrections, additions and suggestions to cccbdb@nist.gov.

III.F.1. (I.A.4.)

List of which calculations are completed at LSDA /daug-cc-pVTZ

Ions

Species	Name
H-	Hydrogen atom anion
H2-	hydrogen diatomic anion
Li-	Lithium atom anion
CH3-	methyl anion
S-	Sulfur atom anion
OH-	hydroxide anion
F-	Fluorine atom anion
Cl-	Chlorine atom anion
C2H-	Ethynyl anion
N2-	nitrogen diatomic anion
CO-	carbon monoxide anion
O2-	oxygen diatomic anion
F2-	flourine diatomic anion