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	hartrees
Energy at 0K	-476.550164
Energy at 298.15K
HF Energy	-476.406652
Nuclear repulsion energy	92.605749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3191	7.82
2	A'	3127	3127	22.20
3	A'	3060	3060	5.47
4	A'	1505	1505	5.94
5	A'	1418	1418	29.84
6	A'	1401	1401	46.14
7	A'	1177	1177	36.96
8	A'	1098	1098	6.43
9	A'	838	838	0.54
10	A'	400	400	1.25
11	A"	3122	3122	7.35
12	A"	1497	1497	11.13
13	A"	1058	1058	6.07
14	A"	775	775	15.65
15	A"	163	163	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.624	0.000
C2	-1.492	0.720	0.000
S3	0.877	-0.747	0.000
H4	0.521	1.583	0.000
H5	-1.957	-0.264	0.000
H6	-1.825	1.283	0.878
H7	-1.825	1.283	-0.878

	C1	C2	S3	H4	H5	H6	H7
C1		1.4949	1.6270	1.0919	2.1492	2.1297	2.1297
C2	1.4949		2.7862	2.1903	1.0886	1.0949	1.0949
S3	1.6270	2.7862		2.3567	2.8752	3.4917	3.4917
H4	1.0919	2.1903	2.3567		3.0911	2.5228	2.5228
H5	2.1492	1.0886	2.8752	3.0911		1.7840	1.7840
H6	2.1297	1.0949	3.4917	2.5228	1.7840		1.7558
H7	2.1297	1.0949	3.4917	2.5228	1.7840	1.7558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.619	C1	C2	H6	109.669
C1	C2	H7	109.669	C2	C1	S3	126.319
C2	C1	H4	114.822	S3	C1	H4	118.859
H5	C2	H6	109.579	H5	C2	H7	109.579
H6	C2	H7	106.597

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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: B2PLYP=FULLultrafine/6-31+G**

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)