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	hartrees
Energy at 0K	-475.987474
Energy at 298.15K	-475.991345
HF Energy	-475.583571
Nuclear repulsion energy	92.657816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3229	9.11
2	A'	3191	3191	14.21
3	A'	3099	3099	6.96
4	A'	1517	1517	8.03
5	A'	1439	1439	56.02
6	A'	1421	1421	13.69
7	A'	1217	1217	28.96
8	A'	1116	1116	4.47
9	A'	867	867	0.75
10	A'	406	406	2.14
11	A"	3164	3164	8.93
12	A"	1502	1502	7.72
13	A"	1079	1079	6.80
14	A"	789	789	12.86
15	A"	179	179	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.623	0.000
C2	-1.498	0.705	0.000
S3	0.881	-0.738	0.000
H4	0.518	1.588	0.000
H5	-1.952	-0.288	0.000
H6	-1.834	1.268	0.883
H7	-1.834	1.268	-0.883

	C1	C2	S3	H4	H5	H6	H7
C1		1.4999	1.6210	1.0949	2.1547	2.1350	2.1350
C2	1.4999		2.7819	2.2004	1.0928	1.0991	1.0991
S3	1.6210	2.7819		2.3536	2.8684	3.4885	3.4885
H4	1.0949	2.2004	2.3536		3.1021	2.5326	2.5326
H5	2.1547	1.0928	2.8684	3.1021		1.7927	1.7927
H6	2.1350	1.0991	3.4885	2.5326	1.7927		1.7651
H7	2.1350	1.0991	3.4885	2.5326	1.7927	1.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.446	C1	C2	H6	109.492
C1	C2	H7	109.492	C2	C1	S3	126.048
C2	C1	H4	115.098	S3	C1	H4	118.855
H5	C2	H6	109.736	H5	C2	H7	109.736
H6	C2	H7	106.826

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CID/daug-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: CID/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)