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	hartrees
Energy at 0K	-476.152972
Energy at 298.15K	-476.156811
HF Energy	-475.615070
Nuclear repulsion energy	93.098248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	2964	7.84
2	A'	3126	2919	15.03
3	A'	3052	2850	6.30
4	A'	1507	1407	5.37
5	A'	1423	1328	40.47
6	A'	1409	1315	18.98
7	A'	1202	1122	21.28
8	A'	1103	1030	2.08
9	A'	854	798	2.07
10	A'	398	372	1.81
11	A"	3113	2907	8.29
12	A"	1498	1399	8.03
13	A"	1068	997	5.23
14	A"	779	727	13.59
15	A"	174	162	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.621	0.000
C2	-1.493	0.697	0.000
S3	0.879	-0.731	0.000
H4	0.510	1.583	0.000
H5	-1.939	-0.294	0.000
H6	-1.835	1.252	0.877
H7	-1.835	1.252	-0.877

	C1	C2	S3	H4	H5	H6	H7
C1		1.4954	1.6126	1.0885	2.1441	2.1295	2.1295
C2	1.4954		2.7691	2.1900	1.0864	1.0923	1.0923
S3	1.6126	2.7691		2.3432	2.8518	3.4738	3.4738
H4	1.0885	2.1900	2.3432		3.0850	2.5250	2.5250
H5	2.1441	1.0864	2.8518	3.0850		1.7799	1.7799
H6	2.1295	1.0923	3.4738	2.5250	1.7799		1.7535
H7	2.1295	1.0923	3.4738	2.5250	1.7799	1.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.305	C1	C2	H6	109.774
C1	C2	H7	109.774	C2	C1	S3	125.945
C2	C1	H4	114.990	S3	C1	H4	119.066
H5	C2	H6	109.560	H5	C2	H7	109.560
H6	C2	H7	106.761

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)