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	hartrees
Energy at 0K	-474.829336
Energy at 298.15K
HF Energy	-474.385321
Nuclear repulsion energy	77.824564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3181	16.15
2	A₁	1819	1819	351.07
3	A₁	1394	1394	0.05
4	A₁	851	851	15.17
5	B₁	745	745	69.73
6	B₁	382	382	5.47
7	B₂	3281	3281	1.40
8	B₂	939	939	1.31
9	B₂	335	335	2.19

Atom	y (Å)	z (Å)
C1	0.000	-1.779
C2	0.000	-0.452
S3	0.000	1.128
H4	0.944	-2.328
H5	-0.944	-2.328

	C1	C2	S3	H4	H5
C1		1.3268	2.9072	1.0919	1.0919
C2	1.3268		1.5804	2.1000	2.1000
S3	2.9072	1.5804		3.5828	3.5828
H4	1.0919	2.1000	3.5828		1.8874
H5	1.0919	2.1000	3.5828	1.8874

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.197
C2	C1	H5	120.197		H4	C1	H5	119.606

All results from a given calculation for CH₂CS (Thioketene)

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CS (Thioketene)