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	hartrees
Energy at 0K	-476.121887
Energy at 298.15K	-476.125703
HF Energy	-475.597617
Nuclear repulsion energy	92.685049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3011	12.37
2	A'	3136	2971	17.31
3	A'	3056	2895	9.81
4	A'	1512	1433	5.00
5	A'	1436	1360	20.45
6	A'	1417	1343	32.49
7	A'	1187	1124	24.36
8	A'	1108	1050	2.69
9	A'	844	800	0.69
10	A'	402	381	1.29
11	A"	3117	2954	12.01
12	A"	1494	1416	8.26
13	A"	1069	1013	6.96
14	A"	776	736	11.99
15	A"	161	153	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.626	0.000
C2	-1.495	0.710	0.000
S3	0.879	-0.741	0.000
H4	0.514	1.586	0.000
H5	-1.946	-0.280	0.000
H6	-1.833	1.264	0.880
H7	-1.833	1.264	-0.880

	C1	C2	S3	H4	H5	H6	H7
C1		1.4970	1.6254	1.0891	2.1470	2.1308	2.1308
C2	1.4970		2.7820	2.1916	1.0877	1.0934	1.0934
S3	1.6254	2.7820		2.3558	2.8630	3.4857	3.4857
H4	1.0891	2.1916	2.3558		3.0880	2.5269	2.5269
H5	2.1470	1.0877	2.8630	3.0880		1.7806	1.7806
H6	2.1308	1.0934	3.4857	2.5269	1.7806		1.7590
H7	2.1308	1.0934	3.4857	2.5269	1.7806	1.7590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.343	C1	C2	H6	109.704
C1	C2	H7	109.704	C2	C1	S3	125.941
C2	C1	H4	114.963	S3	C1	H4	119.096
H5	C2	H6	109.446	H5	C2	H7	109.446
H6	C2	H7	107.101

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCSD=FULL/TZVP

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: CCSD=FULL/TZVP

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)