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	hartrees
Energy at 0K	-474.765921
Energy at 298.15K
HF Energy	-474.354832
Nuclear repulsion energy	78.759146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3229	3030	18.96
2	A₁	1882	1766	306.66
3	A₁	1446	1357	0.06
4	A₁	890	835	13.96
5	B₁	756	709	90.68
6	B₁	417	391	1.65
7	B₂	3315	3110	1.35
8	B₂	992	931	0.02
9	B₂	363	341	1.94

Atom	y (Å)	z (Å)
C1	0.000	-1.756
C2	0.000	-0.445
S3	0.000	1.114
H4	0.932	-2.310
H5	-0.932	-2.310

	C1	C2	S3	H4	H5
C1		1.3109	2.8706	1.0840	1.0840
C2	1.3109		1.5597	2.0847	2.0847
S3	2.8706	1.5597		3.5490	3.5490
H4	1.0840	2.0847	3.5490		1.8637
H5	1.0840	2.0847	3.5490	1.8637

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.726
C2	C1	H5	120.726		H4	C1	H5	118.548

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for CH₂CS (Thioketene)