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	hartrees
Energy at 0K	-475.915221
Energy at 298.15K	-475.919090
HF Energy	-475.551589
Nuclear repulsion energy	93.106109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3006	8.90
2	A'	3211	2966	15.64
3	A'	3129	2890	5.57
4	A'	1567	1447	4.23
5	A'	1491	1377	38.56
6	A'	1470	1358	31.28
7	A'	1238	1143	27.92
8	A'	1146	1058	4.16
9	A'	882	814	0.52
10	A'	415	384	1.75
11	A"	3191	2948	9.79
12	A"	1555	1436	10.42
13	A"	1112	1027	4.11
14	A"	806	744	16.32
15	A"	172	158	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.618	0.000
C2	-1.493	0.701	0.000
S3	0.879	-0.732	0.000
H4	0.511	1.580	0.000
H5	-1.945	-0.288	0.000
H6	-1.833	1.257	0.878
H7	-1.833	1.257	-0.878

	C1	C2	S3	H4	H5	H6	H7
C1		1.4953	1.6106	1.0893	2.1454	2.1304	2.1304
C2	1.4953		2.7711	2.1878	1.0876	1.0934	1.0934
S3	1.6106	2.7711		2.3411	2.8582	3.4754	3.4754
H4	1.0893	2.1878	2.3411		3.0852	2.5233	2.5233
H5	2.1454	1.0876	2.8582	3.0852		1.7805	1.7805
H6	2.1304	1.0934	3.4754	2.5233	1.7805		1.7569
H7	2.1304	1.0934	3.4754	2.5233	1.7805	1.7569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.350	C1	C2	H6	109.792
C1	C2	H7	109.792	C2	C1	S3	126.265
C2	C1	H4	114.751	S3	C1	H4	118.984
H5	C2	H6	109.445	H5	C2	H7	109.445
H6	C2	H7	106.913

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)