CCCBDB listing of experimental data page 2

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Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A	3626		webbook
2	A	2538		webbook
3	A	1176		webbook
5	A	763		webbook
6	A	445		webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSO	1.662	0.000	1	2			2006Bau/Ess:256
rSH	1.342	0.000	1	3			2006Bau/Ess:256
rOH	0.961	0.000	2	4			2006Bau/Ess:256
aHSO	98.57	0.05	2	1	3		2006Bau/Ess:256
aHOS	107.19	0.03	1	2	4		2006Bau/Ess:256	equilibrium
dHOSH	90.41	0.11	3	1	2	4	2006Bau/Ess:256

Atom	x (Å)	y (Å)	z (Å)
S1	-0.5748	-0.0888	0.0112
O2	1.0784	0.0174	-0.1178
H3	-0.8618	1.2219	-0.0117
H4	1.4306	0.0602	0.7749

	S1	O2	H3	H4
S1		1.6616	1.3420	2.1511
O2	1.6616		2.2861	0.9606
H3	1.3420	2.2861		2.6877
H4	2.1511	0.9606	2.6877

Bond Type	Count
O-S	1
H-O	1
H-S	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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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	¹A	C₁	True							C₁	3	5

squib	reference	DOI
2006Bau/Ess:256	O Baum, S Esser, N Gierse, S Brunken, F Lewen, J Hahn, J Gauss, S Schlemmer, TF Giesen "Gas-phase detection of HSOD and empirical equilibrium structureof oxadisulfane" J. Mol. Struct. 795 (2006) 256-262	10.1016/j.molstruc.2006.02.037
2008Bau/Koe:224312	O Baum, M Koerber, O Ricken, G Winnewisser, SN Yuchenko, S Schlemmer, KMT Yamada, TF Giesen "The rotational spectrum of H32SOH and H34SOH above 1 THZ" J. Chem. Phys. 128, 224312 (2008)	10.1063/1.3034741
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for HOSH (hydrogen thioperoxide)