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	hartrees
Energy at 0K	-476.119919
Energy at 298.15K	-476.123738
HF Energy	-475.611968
Nuclear repulsion energy	93.170364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3039	4.74
2	A'	3115	2964	18.91
3	A'	3064	2915	4.00
4	A'	1493	1421	6.03
5	A'	1397	1329	31.87
6	A'	1388	1321	28.01
7	A'	1193	1135	18.36
8	A'	1089	1036	1.70
9	A'	845	804	3.39
10	A'	396	377	1.41
11	A"	3136	2984	4.64
12	A"	1488	1416	8.78
13	A"	1053	1002	5.65
14	A"	770	732	13.35
15	A"	176	167	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.620	0.000
C2	-1.490	0.699	0.000
S3	0.877	-0.733	0.000
H4	0.508	1.584	0.000
H5	-1.939	-0.290	0.000
H6	-1.826	1.257	0.876
H7	-1.826	1.257	-0.876

	C1	C2	S3	H4	H5	H6	H7
C1		1.4925	1.6119	1.0901	2.1418	2.1230	2.1230
C2	1.4925		2.7666	2.1859	1.0861	1.0914	1.0914
S3	1.6119	2.7666		2.3462	2.8502	3.4683	3.4683
H4	1.0901	2.1859	2.3462		3.0824	2.5147	2.5147
H5	2.1418	1.0861	2.8502	3.0824		1.7810	1.7810
H6	2.1230	1.0914	3.4683	2.5147	1.7810		1.7528
H7	2.1230	1.0914	3.4683	2.5147	1.7810	1.7528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.344	C1	C2	H6	109.518
C1	C2	H7	109.518	C2	C1	S3	125.995
C2	C1	H4	114.743	S3	C1	H4	119.261
H5	C2	H6	109.758	H5	C2	H7	109.758
H6	C2	H7	106.839

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)