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	hartrees
Energy at 0K	-476.149901
Energy at 298.15K	-476.153738
HF Energy	-475.612097
Nuclear repulsion energy	93.235424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3177	7.69
2	A'	3127	3127	14.80
3	A'	3055	3055	6.36
4	A'	1507	1507	5.65
5	A'	1424	1424	36.24
6	A'	1411	1411	22.78
7	A'	1202	1202	21.59
8	A'	1102	1102	1.93
9	A'	854	854	2.05
10	A'	399	399	1.74
11	A"	3115	3115	7.81
12	A"	1498	1498	8.14
13	A"	1069	1069	5.93
14	A"	779	779	13.14
15	A"	176	176	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.618	0.000
C2	-1.494	0.692	0.000
S3	0.879	-0.728	0.000
H4	0.507	1.582	0.000
H5	-1.938	-0.299	0.000
H6	-1.836	1.247	0.877
H7	-1.836	1.247	-0.877

	C1	C2	S3	H4	H5	H6	H7
C1		1.4955	1.6077	1.0882	2.1440	2.1291	2.1291
C2	1.4955		2.7653	2.1891	1.0863	1.0922	1.0922
S3	1.6077	2.7653		2.3390	2.8493	3.4695	3.4695
H4	1.0882	2.1891	2.3390		3.0841	2.5232	2.5232
H5	2.1440	1.0863	2.8493	3.0841		1.7801	1.7801
H6	2.1291	1.0922	3.4695	2.5232	1.7801		1.7532
H7	2.1291	1.0922	3.4695	2.5232	1.7801	1.7532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.294	C1	C2	H6	109.742
C1	C2	H7	109.742	C2	C1	S3	125.981
C2	C1	H4	114.914	S3	C1	H4	119.106
H5	C2	H6	109.597	H5	C2	H7	109.597
H6	C2	H7	106.761

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCD/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: CCD/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)