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	hartrees
Energy at 0K	-475.989424
Energy at 298.15K	-475.993243
HF Energy	-475.588533
Nuclear repulsion energy	92.790499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3036	7.57
2	A'	3121	2966	24.10
3	A'	3066	2913	5.05
4	A'	1523	1448	5.87
5	A'	1432	1361	33.75
6	A'	1420	1349	32.54
7	A'	1209	1149	20.32
8	A'	1113	1058	2.01
9	A'	854	812	3.09
10	A'	407	387	0.58
11	A"	3139	2983	8.02
12	A"	1509	1434	13.82
13	A"	1069	1016	5.97
14	A"	776	738	23.34
15	A"	161	153	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.620	0.000
C2	-1.497	0.707	0.000
S3	0.880	-0.737	0.000
H4	0.516	1.586	0.000
H5	-1.953	-0.283	0.000
H6	-1.835	1.266	0.880
H7	-1.835	1.266	-0.880

	C1	C2	S3	H4	H5	H6	H7
C1		1.4992	1.6176	1.0950	2.1519	2.1348	2.1348
C2	1.4992		2.7813	2.1959	1.0902	1.0955	1.0955
S3	1.6176	2.7813		2.3515	2.8699	3.4867	3.4867
H4	1.0950	2.1959	2.3515		3.0965	2.5300	2.5300
H5	2.1519	1.0902	2.8699	3.0965		1.7849	1.7849
H6	2.1348	1.0955	3.4867	2.5300	1.7849		1.7591
H7	2.1348	1.0955	3.4867	2.5300	1.7849	1.7591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.441	C1	C2	H6	109.743
C1	C2	H7	109.743	C2	C1	S3	126.302
C2	C1	H4	114.765	S3	C1	H4	118.933
H5	C2	H6	109.495	H5	C2	H7	109.495
H6	C2	H7	106.810

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)