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	hartrees
Energy at 0K	-472.386189
Energy at 298.15K
HF Energy	-472.085023
Nuclear repulsion energy	78.363519

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	3187	3032	25.32	146.43	0.12	0.22
2	A₁	1821	1733	257.74	0.42	0.20	0.34
3	A₁	1486	1414	3.06	20.84	0.57	0.73
4	A₁	859	817	5.68	21.79	0.31	0.48
5	B₁	798	759	115.41	0.32	0.75	0.86
6	B₁	391	372	2.16	1.56	0.75	0.86
7	B₂	3268	3109	1.90	100.70	0.75	0.86
8	B₂	1034	984	0.68	0.89	0.75	0.86
9	B₂	351	334	2.64	0.28	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.766
C2	0.000	-0.447
S3	0.000	1.120
H4	0.930	-2.326
H5	-0.930	-2.326

	C1	C2	S3	H4	H5
C1		1.3194	2.8864	1.0856	1.0856
C2	1.3194		1.5670	2.0972	2.0972
S3	2.8864	1.5670		3.5700	3.5700
H4	1.0856	2.0972	3.5700		1.8596
H5	1.0856	2.0972	3.5700	1.8596

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	121.081
C2	C1	H5	121.081		H4	C1	H5	117.839

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for CH₂CS (Thioketene)