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	hartrees
Energy at 0K	-475.115752
Energy at 298.15K
HF Energy	-474.416526
Nuclear repulsion energy	79.005195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3188	19.14
2	A₁	1839	1839	361.68
3	A₁	1422	1422	0.01
4	A₁	869	869	15.22
5	B₁	759	759	75.90
6	B₁	424	424	5.56
7	B₂	3279	3279	2.62
8	B₂	968	968	0.63
9	B₂	366	366	2.15

Atom	y (Å)	z (Å)
C1	0.000	-1.753
C2	0.000	-0.444
S3	0.000	1.111
H4	0.931	-2.295
H5	-0.931	-2.295

	C1	C2	S3	H4	H5
C1		1.3089	2.8637	1.0775	1.0775
C2	1.3089		1.5549	2.0719	2.0719
S3	2.8637	1.5549		3.5307	3.5307
H4	1.0775	2.0719	3.5307		1.8625
H5	1.0775	2.0719	3.5307	1.8625

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.197
C2	C1	H5	120.197		H4	C1	H5	119.605

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: CCSD=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CS (Thioketene)