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	A₁	2973		webbook					CH₂ s-stretch
2	A₁	1413							CH₂ sciss
3	A₁	854							C=Se str
4	B₁	916							OPLA
5	B₂	3053							CH₂ a-stretch
6	B₂	913							HCSe bend

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCSe	1.753		1	2			1986Bro/God:292-297	rs
rHC	1.090		1	3			1986Bro/God:292-297	rs
aHCH	117.93		3	1	4		1986Bro/God:292-297
aHCSe	121.04		2	1	3		1986Bro/God:292-297	by symmetry

Atom	y (Å)	z (Å)
C1	0.0000	-1.3924
Se2	0.0000	0.3607
H3	0.9343	-1.9546
H4	-0.9343	-1.9546

	C1	Se2	H3	H4
C1		1.7531	1.0904	1.0904
Se2	1.7531		2.4967	2.4967
H3	1.0904	2.4967		1.8686
H4	1.0904	2.4967	1.8686

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Se2	C1	H3	121.035		Se2	C1	H4	121.035
H3	C1	H4	117.930

	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	¹A₁	C_2v	True				1.410	1985Bro/God:29-30	MW μ₀	C_2v	1	2

squib	reference	DOI
1985Bro/God:29-30	RD Brown, PD Godfrey, D McNaughton "The Microwave Spectrum of Selenoformaldehyde" Chem. Phys.Lett. 118, 29-30, 1985	10.1016/0009-2614(85)85259-3
1986Bro/God:292-297	RD Brown, PD Godfrey, D McNaughton "The Structure of H2CSe from Microwave Spectroscopy" J. Mol. Spec.120,292-297 (1986)	10.1016/0022-2852(86)90005-6
1995Joo/Clo:7351-7358	D-L Joo, DJ Clouthier, RH Judge, DC Moule "Very large zero field splittings in the triplet state of an asymmetric top: Rotational analysis and Zeeman effects in the 820 nm ã 3A2– X̃ 1A1 band system of selenoformaldehyde" J. Chem. Phys. 102, 7351 (1995)	10.1063/1.469047
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
H-C	2
C=Se	1

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Experimental data for H2CSe (Selenoformaldehyde)

Experimental data for H₂CSe (Selenoformaldehyde)