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	hartrees
Energy at 0K	-475.968111
Energy at 298.15K	-475.971923
HF Energy	-475.550869
Nuclear repulsion energy	92.433210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3028	10.15
2	A'	3131	2981	18.76
3	A'	3058	2912	7.34
4	A'	1531	1458	3.73
5	A'	1454	1384	25.20
6	A'	1430	1362	39.37
7	A'	1194	1137	24.75
8	A'	1114	1061	5.64
9	A'	849	809	0.21
10	A'	404	385	1.51
11	A"	3120	2971	11.02
12	A"	1523	1451	9.47
13	A"	1079	1027	3.16
14	A"	779	742	15.62
15	A"	164	156	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.626	0.000
C2	-1.498	0.713	0.000
S3	0.881	-0.743	0.000
H4	0.519	1.591	0.000
H5	-1.952	-0.282	0.000
H6	-1.839	1.270	0.884
H7	-1.839	1.270	-0.884

	C1	C2	S3	H4	H5	H6	H7
C1		1.5006	1.6279	1.0955	2.1530	2.1400	2.1400
C2	1.5006		2.7893	2.1996	1.0935	1.0991	1.0991
S3	1.6279	2.7893		2.3616	2.8707	3.4980	3.4980
H4	1.0955	2.1996	2.3616		3.1004	2.5386	2.5386
H5	2.1530	1.0935	2.8707	3.1004		1.7897	1.7897
H6	2.1400	1.0991	3.4980	2.5386	1.7897		1.7670
H7	2.1400	1.0991	3.4980	2.5386	1.7897	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.217	C1	C2	H6	109.845
C1	C2	H7	109.845	C2	C1	S3	126.098
C2	C1	H4	114.941	S3	C1	H4	118.962
H5	C2	H6	109.419	H5	C2	H7	109.419
H6	C2	H7	107.000

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

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

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)