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	hartrees
Energy at 0K	-474.831805
Energy at 298.15K
HF Energy	-474.385869
Nuclear repulsion energy	77.835473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3179	3179	16.43
2	A₁	1819	1819	353.14
3	A₁	1393	1393	0.05
4	A₁	851	851	14.95
5	B₁	738	738	69.76
6	B₁	380	380	5.38
7	B₂	3279	3279	1.34
8	B₂	935	935	1.27
9	B₂	336	336	2.22

Atom	y (Å)	z (Å)
C1	0.000	-1.779
C2	0.000	-0.452
S3	0.000	1.128
H4	0.943	-2.329
H5	-0.943	-2.329

	C1	C2	S3	H4	H5
C1		1.3268	2.9068	1.0915	1.0915
C2	1.3268		1.5800	2.1001	2.1001
S3	2.9068	1.5800		3.5829	3.5829
H4	1.0915	2.1001	3.5829		1.8857
H5	1.0915	2.1001	3.5829	1.8857

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	S3	180.000		C2	C1	H4	120.248
C2	C1	H5	120.248		H4	C1	H5	119.503

All results from a given calculation for CH₂CS (Thioketene)

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

States and conformations

All results from a given calculation for CH₂CS (Thioketene)