CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-56.04	1.40	kJ mol^-1	Gurvich
Hfg(0K)	-54.00	1.40	kJ mol^-1	Gurvich
Entropy (298.15K)	266.96		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	11.13		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	44.11		J K^-1 mol^-1	Gurvich

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'	1166		Shim
2	A'	679		Shim
3	A'	380		1979HUB/HER

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSS	1.884		2	3			1998Kuc	re value
rSO	1.456		1	2			1998Kuc	re value
aOSS	117.876		1	2	3		1998Kuc	ae value

Atom	y (Å)	z (Å)
O1	0.0000	0.0000
S2	0.0000	1.4650
S3	0.8840	3.1280

	O1	S2	S3
O1		1.4650	3.2505
S2	1.4650		1.8834
S3	3.2505	1.8834

	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^'	C_s	True	0.875	1.180		1.470	1959Mes/Mye:405-416	MW μ₀ ± 0.02 D	C_s	2	3

squib	reference	DOI
1959Mes/Mye:405-416	DJ Meschi, RJ Myers "The microwave spectrum, structure, and dipole moment of disulfur monoxide" J. Mol. Spect. 1959, 3, 405-416	10.1016/0022-2852(59)90036-0
1966Herzberg	Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966
1979HUB/HER	Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Co., 1979	10.1007/978-1-4757-0961-2
1998Kuc	K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998	10.1007/978-3-642-45748-7
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
Shim	Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volu	10.6028/NBS.NSRDS.39
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
O=S	1
S=S	1

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Experimental data for SSO (Disulfur monoxide)