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	2024		1999Lit/Bur:155					CO stretch
2	Σ	644		1999Lit/Bur:155					CSe stretch
3	Π	463		1999Lit/Bur:155					OCSe bend

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCO	1.159		1	2			1976Hellwege(II/7)	r0
rCSe	1.709		1	3			1976Hellwege(II/7)	r0
aOCSe	180		2	1	3		1976Hellwege(II/7)

Atom	x (Å)	y (Å)	z (Å)
C1	0.0000	0.0000	0.0000
O2	0.0000	0.0000	-1.1588
Se3	0.0000	0.0000	1.7090

	C1	O2	Se3
C1		1.1588	1.7090
O2	1.1588		2.8678
Se3	1.7090	2.8678

Bond Type	Count
C=O	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				0.754	1949Str/Wen:827-832	MW μ₀ (v₁=1 0.728 D; v₂=1 0.730 D)	C_∞v	1	1

squib	reference	DOI
1949Str/Wen:827-832	MWP Strandberg, T Wentink Jr, AG Hill "The Microwave Spectrum of Carbonyl Selenide" Phys. Rev. 75, 827, 1949	10.1103/PhysRev.75.827
1976Hellwege(II/7)	Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
1993Kle/Sut:968	A Klesing, DH Sutter "The Rotational Zeeman Effect of Carbonylselenide, OCSe, its Molecular Electric Quadrupole Moment, and the Effects of the C=Se Stretching and Bending Vibration; A High Resolution Microwave Fourier Transform Study" Z. Naturforsch. 48a, 968-986 (1993)	10.1515/zna-1993-1004
1999Lit/Bur:155	M Litz, H Burger, LS Masukidi, A Fayt, J Cosleou, P Drean, L Margules, J Demaison, "Mid- and Near-Infrared Spectra, Millimeterwave Spectra, and Global analysis of ¹⁶O¹²C⁸⁰Se" J. Molecular Spectroscopy 196, 155-174 (1999)	10.1006/jmsp.1999.7852
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 OCSe (Carbonyl selenide)