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	hartrees
Energy at 0K	-474.921865
Energy at 298.15K
HF Energy	-474.416235
Nuclear repulsion energy	78.786447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3185	3185	18.66
2	A₁	1828	1828	350.87
3	A₁	1414	1414	0.01
4	A₁	857	857	15.44
5	B₁	746	746	75.89
6	B₁	419	419	5.22
7	B₂	3278	3278	2.37
8	B₂	960	960	0.61
9	B₂	362	362	2.01

Atom	y (Å)	z (Å)
C1	0.000	-1.758
C2	0.000	-0.446
S3	0.000	1.114
H4	0.933	-2.301
H5	-0.933	-2.301

	C1	C2	S3	H4	H5
C1		1.3119	2.8717	1.0798	1.0798
C2	1.3119		1.5598	2.0766	2.0766
S3	2.8717	1.5598		3.5401	3.5401
H4	1.0798	2.0766	3.5401		1.8665
H5	1.0798	2.0766	3.5401	1.8665

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.201
C2	C1	H5	120.201		H4	C1	H5	119.597

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: QCISD/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: QCISD/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CS (Thioketene)