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	hartrees
Energy at 0K	-475.998979
Energy at 298.15K	-476.002810
HF Energy	-475.557953
Nuclear repulsion energy	92.689176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3010	11.09
2	A'	3177	2963	19.27
3	A'	3100	2891	8.56
4	A'	1541	1437	2.98
5	A'	1460	1361	25.28
6	A'	1438	1341	32.06
7	A'	1205	1123	20.96
8	A'	1119	1043	2.95
9	A'	855	797	0.56
10	A'	404	377	1.37
11	A"	3168	2955	12.58
12	A"	1533	1430	7.43
13	A"	1082	1009	4.16
14	A"	782	730	13.49
15	A"	168	156	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.624	0.000
C2	-1.497	0.709	0.000
S3	0.881	-0.739	0.000
H4	0.512	1.586	0.000
H5	-1.948	-0.281	0.000
H6	-1.836	1.263	0.878
H7	-1.836	1.263	-0.878

	C1	C2	S3	H4	H5	H6	H7
C1		1.4995	1.6233	1.0890	2.1475	2.1336	2.1336
C2	1.4995		2.7842	2.1917	1.0871	1.0927	1.0927
S3	1.6233	2.7842		2.3541	2.8652	3.4878	3.4878
H4	1.0890	2.1917	2.3541		3.0871	2.5276	2.5276
H5	2.1475	1.0871	2.8652	3.0871		1.7797	1.7797
H6	2.1336	1.0927	3.4878	2.5276	1.7797		1.7569
H7	2.1336	1.0927	3.4878	2.5276	1.7797	1.7569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.241	C1	C2	H6	109.793
C1	C2	H7	109.793	C2	C1	S3	126.092
C2	C1	H4	114.783	S3	C1	H4	119.125
H5	C2	H6	109.454	H5	C2	H7	109.454
H6	C2	H7	107.010

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCSD/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)