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	hartrees
Energy at 0K	-476.684488
Energy at 298.15K
HF Energy	-476.456124
Nuclear repulsion energy	93.076815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3159	6.28
2	A'	3088	3088	20.32
3	A'	3035	3035	3.85
4	A'	1494	1494	6.28
5	A'	1402	1402	12.91
6	A'	1384	1384	61.52
7	A'	1173	1173	37.30
8	A'	1090	1090	5.76
9	A'	838	838	1.00
10	A'	397	397	1.68
11	A"	3088	3088	5.48
12	A"	1487	1487	8.65
13	A"	1053	1053	5.06
14	A"	772	772	13.49
15	A"	174	174	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.619	0.000
C2	-1.487	0.710	0.000
S3	0.875	-0.739	0.000
H4	0.516	1.579	0.000
H5	-1.949	-0.272	0.000
H6	-1.821	1.273	0.874
H7	-1.821	1.273	-0.874

	C1	C2	S3	H4	H5	H6	H7
C1		1.4896	1.6157	1.0897	2.1434	2.1232	2.1232
C2	1.4896		2.7705	2.1836	1.0854	1.0922	1.0922
S3	1.6157	2.7705		2.3456	2.8622	3.4755	3.4755
H4	1.0897	2.1836	2.3456		3.0831	2.5143	2.5143
H5	2.1434	1.0854	2.8622	3.0831		1.7797	1.7797
H6	2.1232	1.0922	3.4755	2.5143	1.7797		1.7484
H7	2.1232	1.0922	3.4755	2.5143	1.7797	1.7484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.734	C1	C2	H6	109.684
C1	C2	H7	109.684	C2	C1	S3	126.256
C2	C1	H4	114.803	S3	C1	H4	118.941
H5	C2	H6	109.627	H5	C2	H7	109.627
H6	C2	H7	106.338

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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: B2PLYP=FULLultrafine/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)