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	hartrees
Energy at 0K	-475.007222
Energy at 298.15K
HF Energy	-474.420261
Nuclear repulsion energy	79.010997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3211	3211	20.31
2	A₁	1854	1854	378.25
3	A₁	1419	1419	0.05
4	A₁	869	869	16.12
5	B₁	779	779	70.17
6	B₁	429	429	6.21
7	B₂	3263	3263	2.85
8	B₂	962	962	0.96
9	B₂	361	361	2.27

Atom	y (Å)	z (Å)
C1	0.000	-1.751
C2	0.000	-0.447
S3	0.000	1.111
H4	0.929	-2.294
H5	-0.929	-2.294

	C1	C2	S3	H4	H5
C1		1.3039	2.8624	1.0757	1.0757
C2	1.3039		1.5585	2.0672	2.0672
S3	2.8624	1.5585		3.5298	3.5298
H4	1.0757	2.0672	3.5298		1.8572
H5	1.0757	2.0672	3.5298	1.8572

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.318
C2	C1	H5	120.318		H4	C1	H5	119.365

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: CCSD=FULL/daug-cc-pVTZ

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: CCSD=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CS (Thioketene)