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'	1372		webbook
2	A'	640
3	A'	366

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNS	1.448	0.002	1	2			1967Coo/Kir:4521
rFS	1.643	0.002	1	3			1967Coo/Kir:4521
aNSF	116.92	0.03	2	1	3		1967Coo/Kir:4521

Atom	x (Å)	y (Å)
S1	0.0000	0.4258
N2	1.4011	0.0601
F3	-1.0897	-0.8038

	S1	N2	F3
S1		1.4480	1.6430
N2	1.4480		2.6364
F3	1.6430	2.6364

Bond Type	Count
S#N	1
F-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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You are here: Experimental > One molecule all properties

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	0.242	1.886		1.902	1967Coo/Kir:4521	MW +-0.012 D μ₀	C_s	2	3

squib	reference	DOI
1967Coo/Kir:4521	RL Cook, WH Kirchhoff "Further Investigations on the Microwave Spectrum of NSF: Evaluation of the Molecular Force Field, Centrifugal Distortion Constants, and the Dipole Moment" J. Chem. Phys. 47(11) 4521, 1967	10.1063/1.1701662
NISTtriatomic	NIST Triatomic Spectral Database (http://www.physics.nist.gov/PhysRefData/MolSpec/Triatomic/index.html)	10.18434/T4DW2S
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for FSN (Thiazyl fluoride)