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	hartrees
Energy at 0K	-473.014426
Energy at 298.15K
HF Energy	-472.905174
Nuclear repulsion energy	78.598214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3182	3182	26.42	157.44	0.12	0.22
2	A₁	1842	1842	304.21	2.98	0.17	0.29
3	A₁	1462	1462	3.32	23.41	0.56	0.72
4	A₁	857	857	12.30	26.16	0.31	0.48
5	B₁	797	797	116.65	0.75	0.75	0.86
6	B₁	422	422	3.39	2.10	0.75	0.86
7	B₂	3258	3258	2.70	107.05	0.75	0.86
8	B₂	1009	1009	0.98	1.16	0.75	0.86
9	B₂	366	366	2.65	0.33	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.759
C2	0.000	-0.448
S3	0.000	1.117
H4	0.928	-2.318
H5	-0.928	-2.318

	C1	C2	S3	H4	H5
C1		1.3103	2.8758	1.0839	1.0839
C2	1.3103		1.5655	2.0876	2.0876
S3	2.8758	1.5655		3.5586	3.5586
H4	1.0839	2.0876	3.5586		1.8566
H5	1.0839	2.0876	3.5586	1.8566

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	121.080
C2	C1	H5	121.080		H4	C1	H5	117.840

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/3-21G*

States and conformations

All results from a given calculation for CH₂CS (Thioketene)