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	hartrees
Energy at 0K	-475.958210
Energy at 298.15K	-475.962055
HF Energy	-475.551347
Nuclear repulsion energy	92.846464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3018	8.50
2	A'	3170	2975	15.36
3	A'	3092	2902	5.18
4	A'	1545	1450	4.11
5	A'	1466	1376	38.01
6	A'	1448	1359	22.84
7	A'	1224	1149	19.30
8	A'	1129	1060	2.18
9	A'	870	817	1.80
10	A'	410	385	1.47
11	A"	3155	2961	9.05
12	A"	1533	1439	10.39
13	A"	1091	1024	4.20
14	A"	788	740	18.20
15	A"	171	161	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.622	0.000
C2	-1.496	0.702	0.000
S3	0.880	-0.734	0.000
H4	0.512	1.587	0.000
H5	-1.944	-0.293	0.000
H6	-1.839	1.257	0.881
H7	-1.839	1.257	-0.881

	C1	C2	S3	H4	H5	H6	H7
C1		1.4982	1.6166	1.0926	2.1487	2.1360	2.1360
C2	1.4982		2.7766	2.1946	1.0911	1.0967	1.0967
S3	1.6166	2.7766		2.3499	2.8591	3.4839	3.4839
H4	1.0926	2.1946	2.3499		3.0932	2.5324	2.5324
H5	2.1487	1.0911	2.8591	3.0932		1.7862	1.7862
H6	2.1360	1.0967	3.4839	2.5324	1.7862		1.7625
H7	2.1360	1.0967	3.4839	2.5324	1.7862	1.7625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.194	C1	C2	H6	109.837
C1	C2	H7	109.837	C2	C1	S3	126.067
C2	C1	H4	114.888	S3	C1	H4	119.046
H5	C2	H6	109.466	H5	C2	H7	109.466
H6	C2	H7	106.943

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)