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	hartrees
Energy at 0K	-476.055278
Energy at 298.15K	-476.059104
HF Energy	-475.582553
Nuclear repulsion energy	92.321693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3184	9.34
2	A'	3150	3150	13.61
3	A'	3055	3055	6.79
4	A'	1483	1483	6.78
5	A'	1406	1406	51.91
6	A'	1387	1387	10.28
7	A'	1197	1197	20.08
8	A'	1092	1092	2.23
9	A'	851	851	2.12
10	A'	398	398	1.71
11	A"	3121	3121	8.31
12	A"	1469	1469	7.47
13	A"	1048	1048	7.04
14	A"	765	765	14.15
15	A"	174	174	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.628	0.000
C2	-1.502	0.706	0.000
S3	0.883	-0.740	0.000
H4	0.521	1.596	0.000
H5	-1.953	-0.294	0.000
H6	-1.844	1.269	0.886
H7	-1.844	1.269	-0.886

	C1	C2	S3	H4	H5	H6	H7
C1		1.5039	1.6284	1.0990	2.1600	2.1436	2.1436
C2	1.5039		2.7894	2.2093	1.0976	1.1036	1.1036
S3	1.6284	2.7894		2.3639	2.8714	3.5010	3.5010
H4	1.0990	2.2093	2.3639		3.1132	2.5459	2.5459
H5	2.1600	1.0976	2.8714	3.1132		1.7998	1.7998
H6	2.1436	1.1036	3.5010	2.5459	1.7998		1.7716
H7	2.1436	1.1036	3.5010	2.5459	1.7998	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.298	C1	C2	H6	109.636
C1	C2	H7	109.636	C2	C1	S3	125.839
C2	C1	H4	115.282	S3	C1	H4	118.879
H5	C2	H6	109.699	H5	C2	H7	109.699
H6	C2	H7	106.766

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP3=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 CH3CHS (Thioacetaldehyde)

using model chemistry: MP3=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)