CCCBDB listing of experimental data page 2

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Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSH	1.374		1	2			webbook	re

Atom	x (Å)	y (Å)	z (Å)
S1	0.0000	0.0000	0.0000
H2	0.0000	0.0000	1.3744

	S1	H2
S1		1.3744
H2	1.3744

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	³Σ	C_∞v	True							C_∞v	1	1
2	1	¹Π	C_∞v	True							C_∞v	1	1

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	³Σ	C_∞v	True						C_∞v	1	1
2	1	¹Π	C_∞v	True						C_∞v	1	1

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Experimental data for HS- (mercapto anion)

Experimental data for HS^- (mercapto anion)