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	hartrees
Energy at 0K	-476.024405
Energy at 298.15K	-476.028215
HF Energy	-475.588324
Nuclear repulsion energy	92.587241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3008	11.69
2	A'	3106	2962	21.12
3	A'	3035	2894	8.23
4	A'	1518	1448	4.56
5	A'	1439	1372	33.25
6	A'	1422	1356	34.71
7	A'	1197	1141	26.62
8	A'	1111	1059	4.06
9	A'	850	810	0.46
10	A'	405	386	0.76
11	A"	3095	2951	12.06
12	A"	1503	1433	12.31
13	A"	1069	1019	5.43
14	A"	775	739	20.63
15	A"	159	151	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.622	0.000
C2	-1.500	0.708	0.000
S3	0.882	-0.738	0.000
H4	0.519	1.586	0.000
H5	-1.955	-0.285	0.000
H6	-1.841	1.266	0.882
H7	-1.841	1.266	-0.882

	C1	C2	S3	H4	H5	H6	H7
C1		1.5020	1.6214	1.0951	2.1554	2.1406	2.1406
C2	1.5020		2.7864	2.2014	1.0923	1.0982	1.0982
S3	1.6214	2.7864		2.3529	2.8735	3.4945	3.4945
H4	1.0951	2.2014	2.3529		3.1022	2.5398	2.5398
H5	2.1554	1.0923	2.8735	3.1022		1.7878	1.7878
H6	2.1406	1.0982	3.4945	2.5398	1.7878		1.7639
H7	2.1406	1.0982	3.4945	2.5398	1.7878	1.7639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.386	C1	C2	H6	109.848
C1	C2	H7	109.848	C2	C1	S3	126.239
C2	C1	H4	115.015	S3	C1	H4	118.746
H5	C2	H6	109.402	H5	C2	H7	109.402
H6	C2	H7	106.844

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCSD/6-311G*

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 CH3CHS (Thioacetaldehyde)

using model chemistry: CCSD/6-311G*

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)