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	hartrees
Energy at 0K	-476.167679
Energy at 298.15K	-476.171502
HF Energy	-475.616161
Nuclear repulsion energy	92.829825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3041	7.22
2	A'	3113	2996	14.22
3	A'	3040	2926	6.31
4	A'	1506	1449	5.65
5	A'	1420	1366	17.60
6	A'	1397	1345	47.87
7	A'	1180	1136	28.21
8	A'	1095	1054	6.29
9	A'	841	810	0.44
10	A'	393	378	1.83
11	A"	3099	2983	7.08
12	A"	1500	1444	7.42
13	A"	1062	1022	5.03
14	A"	771	742	12.95
15	A"	173	167	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.625	0.000
C2	-1.493	0.706	0.000
S3	0.878	-0.738	0.000
H4	0.516	1.585	0.000
H5	-1.943	-0.284	0.000
H6	-1.831	1.263	0.878
H7	-1.831	1.263	-0.878

	C1	C2	S3	H4	H5	H6	H7
C1		1.4956	1.6215	1.0894	2.1454	2.1285	2.1285
C2	1.4956		2.7766	2.1929	1.0875	1.0935	1.0935
S3	1.6215	2.7766		2.3509	2.8575	3.4808	3.4808
H4	1.0894	2.1929	2.3509		3.0886	2.5261	2.5261
H5	2.1454	1.0875	2.8575	3.0886		1.7829	1.7829
H6	2.1285	1.0935	3.4808	2.5261	1.7829		1.7562
H7	2.1285	1.0935	3.4808	2.5261	1.7829	1.7562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.330	C1	C2	H6	109.617
C1	C2	H7	109.617	C2	C1	S3	125.886
C2	C1	H4	115.159	S3	C1	H4	118.955
H5	C2	H6	109.665	H5	C2	H7	109.665
H6	C2	H7	106.842

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: QCISD/aug-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: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)