CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)		kJ mol^-1	JANAF
Hfg(0K)	-16.71	kJ mol^-1	JANAF
Entropy (298.15K)		J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)		kJ mol^-1
Heat Capacity (298.15K)	36.77	J K^-1 mol^-1	webbook

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	Σ	2736		VEEL5
2	Σ	1172		Shim

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rBH	1.169	0.001	1	2			1973Pea/McC:1619
rBS	1.599	0.000	1	3			1973Pea/McC:1619
aHBS	180		2	1	3		1973Pea/McC:1619

Atom	x (Å)	y (Å)	z (Å)
B1	0.0000	0.0000	0.0000
H2	0.0000	0.0000	1.1692
S3	0.0000	0.0000	-1.5995

	B1	H2	S3
B1		1.1692	1.5995
H2	1.1692		2.7686
S3	1.5995	2.7686

	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	¹Σ	C_∞v	True				1.298	NISTtriatomic	MW +- 0.005 μ	C_∞v	1	1

squib	reference	DOI
1973Pea/McC:1619	EF Pearson, RV McCormick "Rotational spectrum and structure of thioborine: HBS" J. Chem. Phys. 58(4), 1619-1621, 1973	10.1063/1.1679403
JANAF	Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.
NISTtriatomic	NIST Triatomic Spectral Database (http://www.physics.nist.gov/PhysRefData/MolSpec/Triatomic/index.html)	10.18434/T4DW2S
Shim	Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volu	10.6028/NBS.NSRDS.39
VEEL5	M.E. Jacox, Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules, J. Phys. Chem.Ref. Data, Monograph 3 (1994) (updated data in NIST Chemistry Webbook - http://webbook.nist.gov/chemistry/
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
H-B	1
B=S	1

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Experimental data for HBS (hydrogen boron sulfide)