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	hartrees
Energy at 0K	-476.154982
Energy at 298.15K	-476.158821
HF Energy	-475.615106
Nuclear repulsion energy	93.129118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3015	7.81
2	A'	3150	2976	13.24
3	A'	3068	2898	5.20
4	A'	1507	1424	5.65
5	A'	1420	1342	42.93
6	A'	1407	1329	18.73
7	A'	1202	1135	22.47
8	A'	1103	1042	2.40
9	A'	855	808	2.16
10	A'	398	376	1.90
11	A"	3128	2955	7.37
12	A"	1498	1415	8.36
13	A"	1067	1008	5.27
14	A"	780	736	13.95
15	A"	174	164	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.622	0.000
C2	-1.492	0.697	0.000
S3	0.878	-0.732	0.000
H4	0.509	1.581	0.000
H5	-1.937	-0.293	0.000
H6	-1.834	1.252	0.875
H7	-1.834	1.252	-0.875

	C1	C2	S3	H4	H5	H6	H7
C1		1.4944	1.6133	1.0865	2.1420	2.1275	2.1275
C2	1.4944		2.7678	2.1885	1.0851	1.0912	1.0912
S3	1.6133	2.7678		2.3423	2.8490	3.4720	3.4720
H4	1.0865	2.1885	2.3423		3.0818	2.5229	2.5229
H5	2.1420	1.0851	2.8490	3.0818		1.7786	1.7786
H6	2.1275	1.0912	3.4720	2.5229	1.7786		1.7509
H7	2.1275	1.0912	3.4720	2.5229	1.7786	1.7509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.293	C1	C2	H6	109.754
C1	C2	H7	109.754	C2	C1	S3	125.865
C2	C1	H4	115.068	S3	C1	H4	119.067
H5	C2	H6	109.619	H5	C2	H7	109.619
H6	C2	H7	106.692

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP3/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)