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	hartrees
Energy at 0K	-472.413659
Energy at 298.15K
HF Energy	-472.084657
Nuclear repulsion energy	78.159963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3141	3019	12.12
2	A₁	1818	1747	222.14
3	A₁	1476	1419	0.56
4	A₁	840	807	14.02
5	B₁	831	798	95.65
6	B₁	383	368	2.22
7	B₂	3218	3093	0.27
8	B₂	1035	994	0.20
9	B₂	345	332	2.27

Atom	y (Å)	z (Å)
C1	0.000	-1.769
C2	0.000	-0.450
S3	0.000	1.124
H4	0.932	-2.332
H5	-0.932	-2.332

	C1	C2	S3	H4	H5
C1		1.3193	2.8928	1.0886	1.0886
C2	1.3193		1.5735	2.1000	2.1000
S3	2.8928	1.5735		3.5788	3.5788
H4	1.0886	2.1000	3.5788		1.8639
H5	1.0886	2.1000	3.5788	1.8639

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	121.119
C2	C1	H5	121.119		H4	C1	H5	117.762

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: QCISD/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2CS (Thioketene)

using model chemistry: QCISD/3-21G*

States and conformations

All results from a given calculation for CH₂CS (Thioketene)