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	hartrees
Energy at 0K	-476.058895
Energy at 298.15K	-476.062708
HF Energy	-475.597566
Nuclear repulsion energy	92.642367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3033	12.55
2	A'	3135	2992	17.60
3	A'	3057	2917	10.00
4	A'	1511	1443	4.91
5	A'	1435	1370	20.43
6	A'	1416	1351	32.30
7	A'	1185	1131	24.24
8	A'	1107	1057	2.63
9	A'	843	805	0.69
10	A'	401	383	1.31
11	A"	3117	2975	12.28
12	A"	1493	1425	8.14
13	A"	1067	1019	6.97
14	A"	774	739	11.87
15	A"	160	153	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.627	0.000
C2	-1.496	0.709	0.000
S3	0.880	-0.741	0.000
H4	0.514	1.588	0.000
H5	-1.947	-0.281	0.000
H6	-1.834	1.264	0.880
H7	-1.834	1.264	-0.880

	C1	C2	S3	H4	H5	H6	H7
C1		1.4981	1.6259	1.0898	2.1482	2.1321	2.1321
C2	1.4981		2.7832	2.1933	1.0884	1.0941	1.0941
S3	1.6259	2.7832		2.3568	2.8638	3.4872	3.4872
H4	1.0898	2.1933	2.3568		3.0900	2.5287	2.5287
H5	2.1482	1.0884	2.8638	3.0900		1.7819	1.7819
H6	2.1321	1.0941	3.4872	2.5287	1.7819		1.7604
H7	2.1321	1.0941	3.4872	2.5287	1.7819	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.323	C1	C2	H6	109.693
C1	C2	H7	109.693	C2	C1	S3	125.926
C2	C1	H4	114.975	S3	C1	H4	119.099
H5	C2	H6	109.457	H5	C2	H7	109.457
H6	C2	H7	107.122

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCSD/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/TZVP

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)