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	3020		webbook
2	A₁	1757
3	A₁	1332
4	A₁	850
5	B₁	698
6	B₁	414
7	B₂	3107
8	B₂	922
9	B₂	357

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCS	1.554	0.003	2	3			1979Geo/Kro:365-373
rCC	1.314	0.003	1	2			1979Geo/Kro:365-373
rCH	1.090	0.006	1	4			1979Geo/Kro:365-373
aHCH	120.3	0.5	4	1	5		1979Geo/Kro:365-373

Atom	y (Å)	z (Å)
C1	0.0000	1.8341
C2	0.0000	0.5197
S3	0.0000	-1.0345
H4	0.9450	2.3767
H5	-0.9450	2.3767

	C1	C2	S3	H4	H5
C1		1.3144	2.8686	1.0897	1.0897
C2	1.3144		1.5542	2.0836	2.0836
S3	2.8686	1.5542		3.5397	3.5397
H4	1.0897	2.0836	3.5397		1.8900
H5	1.0897	2.0836	3.5397	1.8900

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	119.864
C2	C1	H5	119.864		H4	C1	H5	120.273

	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	¹A₁	C_2v				1.020	1.020	1979Geo/Kro:365-373		C_2v	1	2

squib	reference	DOI
1979Geo/Kro:365-373	K GEORGIOU, HW KROTO, BM LANDSBERG "The Microwave Spectrum, Substitution Structure, and Dipole Moment of Thioketen, H2C=C=S" J. MOL. SPECT. 77,365-373 (1979)	10.1016/0022-2852(79)90178-4
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
H-C	2
C=C	1
C=S	1

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Experimental data for CH2CS (Thioketene)

Experimental data for CH₂CS (Thioketene)