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	hartrees
Energy at 0K	-472.237226
Energy at 298.15K
HF Energy	-471.972502
Nuclear repulsion energy	76.563431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	3040	12.03
2	A₁	1794	1738	175.32
3	A₁	1469	1424	0.47
4	A₁	757	734	12.33
5	B₁	848	822	88.74
6	B₁	392	380	3.62
7	B₂	3213	3114	0.50
8	B₂	1015	984	0.05
9	B₂	338	328	3.18

Atom	y (Å)	z (Å)
C1	0.000	-1.799
C2	0.000	-0.485
S3	0.000	1.152
H4	0.932	-2.362
H5	-0.932	-2.362

	C1	C2	S3	H4	H5
C1		1.3141	2.9505	1.0890	1.0890
C2	1.3141		1.6364	2.0958	2.0958
S3	2.9505	1.6364		3.6349	3.6349
H4	1.0890	2.0958	3.6349		1.8644
H5	1.0890	2.0958	3.6349	1.8644

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	121.125
C2	C1	H5	121.125		H4	C1	H5	117.750

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)