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	hartrees
Energy at 0K	-474.987065
Energy at 298.15K
HF Energy	-474.418947
Nuclear repulsion energy	79.002439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3214	3047	19.75
2	A₁	1853	1757	352.24
3	A₁	1426	1352	0.00
4	A₁	868	823	15.51
5	B₁	787	746	75.93
6	B₁	436	414	5.17
7	B₂	3283	3112	2.50
8	B₂	963	913	0.40
9	B₂	370	351	1.97

Atom	y (Å)	z (Å)
C1	0.000	-1.752
C2	0.000	-0.447
S3	0.000	1.111
H4	0.929	-2.293
H5	-0.929	-2.293

	C1	C2	S3	H4	H5
C1		1.3046	2.8632	1.0751	1.0751
C2	1.3046		1.5586	2.0662	2.0662
S3	2.8632	1.5586		3.5286	3.5286
H4	1.0751	2.0662	3.5286		1.8582
H5	1.0751	2.0662	3.5286	1.8582

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.209
C2	C1	H5	120.209		H4	C1	H5	119.583

All results from a given calculation for CH₂CS (Thioketene)

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

States and conformations

All results from a given calculation for CH₂CS (Thioketene)