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	hartrees
Energy at 0K	-476.350472
Energy at 298.15K	-476.354306
HF Energy	-475.612116
Nuclear repulsion energy	93.227092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3170	7.83
2	A'	3124	3124	14.92
3	A'	3050	3050	6.32
4	A'	1505	1505	5.56
5	A'	1423	1423	29.94
6	A'	1408	1408	32.22
7	A'	1194	1194	25.92
8	A'	1101	1101	3.67
9	A'	850	850	0.99
10	A'	398	398	1.82
11	A"	3108	3108	7.72
12	A"	1500	1500	8.10
13	A"	1071	1071	5.34
14	A"	782	782	12.44
15	A"	176	176	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.620	0.000
C2	-1.492	0.697	0.000
S3	0.878	-0.731	0.000
H4	0.508	1.580	0.000
H5	-1.937	-0.292	0.000
H6	-1.831	1.251	0.876
H7	-1.831	1.251	-0.876

	C1	C2	S3	H4	H5	H6	H7
C1		1.4938	1.6104	1.0859	2.1407	2.1251	2.1251
C2	1.4938		2.7660	2.1861	1.0845	1.0904	1.0904
S3	1.6104	2.7660		2.3395	2.8480	3.4681	3.4681
H4	1.0859	2.1861	2.3395		3.0790	2.5185	2.5185
H5	2.1407	1.0845	2.8480	3.0790		1.7780	1.7780
H6	2.1251	1.0904	3.4681	2.5185	1.7780		1.7510
H7	2.1251	1.0904	3.4681	2.5185	1.7780	1.7510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.262	C1	C2	H6	109.657
C1	C2	H7	109.657	C2	C1	S3	125.967
C2	C1	H4	114.944	S3	C1	H4	119.089
H5	C2	H6	109.669	H5	C2	H7	109.669
H6	C2	H7	106.824

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCSD=FULL/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: CCSD=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)