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	Σ	1435
2	Σ	506		1958Wen:188
3	Π	355

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCS	1.553	0.002	1	2			1971 Hir/Cur:5120	rs
rCSe	1.695	0.002	1	3			1971 Hir/Cur:5120	rs

Atom	x (Å)	y (Å)	z (Å)
C1	0.0000	0.0000	-0.5854
S2	0.0000	0.0000	-2.1384
Se3	0.0000	0.0000	1.1096

	C1	S2	Se3
C1		1.5530	1.6950
S2	1.5530		3.2480
Se3	1.6950	3.2480

Bond Type	Count
C=S	1
C=Se	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	¹Σ	C_∞v	True				0.031	NISTTriatomic	MW v=(0,2,0)	C_∞v	1	1

squib	reference	DOI
1958Wen:188	T Wentik Jr. "Triatomic Linear Molecules Containing Carbon Oxygen, Sulfur, Selenium, or Tellurium. I. Vibrational Spectra of CS2, CSe2, SCSe, and SCTe" J. Chem. Phys. 29, 188, 1958	10.1063/1.1744421
1971 Hir/Cur:5120	C Hirose, RF Curl Jr "Microwave Spectrum, Molecular Structure, ForceField, and Dipole Moment of Thiocarbonyl Selenide, SCSe" J. Chem. Phys. 55, 5120, 1971	10.1063/1.1675630
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 SCSe (Carbon sulfide selenide)