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	hartrees
Energy at 0K	-473.420044
Energy at 298.15K	-473.423877
HF Energy	-473.165966
Nuclear repulsion energy	91.042359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3045	17.20
2	A'	3172	3029	2.40
3	A'	3070	2931	2.81
4	A'	1578	1507	8.97
5	A'	1486	1419	11.73
6	A'	1434	1369	26.58
7	A'	1147	1095	10.72
8	A'	1134	1083	8.94
9	A'	814	777	3.81
10	A'	406	387	0.99
11	A"	3126	2984	8.16
12	A"	1575	1504	11.11
13	A"	1108	1058	3.75
14	A"	793	757	30.60
15	A"	168	161	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.656	0.000
C2	-1.504	0.746	0.000
S3	0.883	-0.773	0.000
H4	0.538	1.602	0.000
H5	-1.951	-0.251	0.000
H6	-1.847	1.299	0.885
H7	-1.847	1.299	-0.885

	C1	C2	S3	H4	H5	H6	H7
C1		1.5072	1.6794	1.0885	2.1511	2.1463	2.1463
C2	1.5072		2.8298	2.2143	1.0923	1.0980	1.0980
S3	1.6794	2.8298		2.3999	2.8816	3.5394	3.5394
H4	1.0885	2.2143	2.3999		3.1026	2.5610	2.5610
H5	2.1511	1.0923	2.8816	3.1026		1.7878	1.7878
H6	2.1463	1.0980	3.5394	2.5610	1.7878		1.7692
H7	2.1463	1.0980	3.5394	2.5610	1.7878	1.7692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.678	C1	C2	H6	109.953
C1	C2	H7	109.953	C2	C1	S3	125.164
C2	C1	H4	116.161	S3	C1	H4	118.675
H5	C2	H6	109.421	H5	C2	H7	109.421
H6	C2	H7	107.348

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2=FULL/3-21G

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=FULL/3-21G

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)