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	hartrees
Energy at 0K	-472.212896
Energy at 298.15K
HF Energy	-471.973249
Nuclear repulsion energy	76.966067

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	3182	3038	25.55	167.63	0.13	0.22
2	A₁	1804	1722	237.72	3.08	0.65	0.79
3	A₁	1481	1414	2.20	20.93	0.56	0.72
4	A₁	800	764	4.43	31.78	0.34	0.50
5	B₁	818	780	108.83	0.10	0.75	0.86
6	B₁	396	378	3.63	0.92	0.75	0.86
7	B₂	3262	3113	2.16	111.37	0.75	0.86
8	B₂	1020	973	0.22	1.95	0.75	0.86
9	B₂	344	328	4.38	0.63	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.791
C2	0.000	-0.478
S3	0.000	1.145
H4	0.930	-2.352
H5	-0.930	-2.352

	C1	C2	S3	H4	H5
C1		1.3134	2.9358	1.0861	1.0861
C2	1.3134		1.6224	2.0927	2.0927
S3	2.9358	1.6224		3.6187	3.6187
H4	1.0861	2.0927	3.6187		1.8594
H5	1.0861	2.0927	3.6187	1.8594

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	121.124
C2	C1	H5	121.124		H4	C1	H5	117.752

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)