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	hartrees
Energy at 0K	-474.890503
Energy at 298.15K
HF Energy	-474.372320
Nuclear repulsion energy	78.983131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3223	3034	24.06
2	A₁	1876	1767	307.60
3	A₁	1415	1333	0.06
4	A₁	868	817	16.90
5	B₁	755	711	69.12
6	B₁	443	417	2.58
7	B₂	3316	3122	3.51
8	B₂	968	912	0.12
9	B₂	378	356	1.39

Atom	y (Å)	z (Å)
C1	0.000	-1.751
C2	0.000	-0.446
S3	0.000	1.111
H4	0.931	-2.299
H5	-0.931	-2.299

	C1	C2	S3	H4	H5
C1		1.3054	2.8625	1.0801	1.0801
C2	1.3054		1.5570	2.0736	2.0736
S3	2.8625	1.5570		3.5347	3.5347
H4	1.0801	2.0736	3.5347		1.8623
H5	1.0801	2.0736	3.5347	1.8623

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.451
C2	C1	H5	120.451		H4	C1	H5	119.099

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CS (Thioketene)