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	hartrees
Energy at 0K	-476.208925
Energy at 298.15K	-476.212768
HF Energy	-475.616430
Nuclear repulsion energy	93.360221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3028	4.55
2	A'	3135	2983	16.08
3	A'	3068	2918	3.42
4	A'	1507	1434	6.90
5	A'	1405	1337	38.68
6	A'	1396	1329	24.18
7	A'	1201	1142	18.93
8	A'	1098	1044	2.34
9	A'	851	809	3.25
10	A'	398	378	1.33
11	A"	3128	2976	3.56
12	A"	1499	1426	8.48
13	A"	1059	1008	6.05
14	A"	775	737	14.55
15	A"	180	171	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.623	0.000
C2	-1.481	0.702	0.000
S3	0.871	-0.735	0.000
H4	0.513	1.579	0.000
H5	-1.927	-0.286	0.000
H6	-1.820	1.258	0.875
H7	-1.820	1.258	-0.875

	C1	C2	S3	H4	H5	H6	H7
C1		1.4831	1.6141	1.0845	2.1311	2.1165	2.1165
C2	1.4831		2.7569	2.1781	1.0845	1.0900	1.0900
S3	1.6141	2.7569		2.3419	2.8345	3.4612	3.4612
H4	1.0845	2.1781	2.3419		3.0713	2.5121	2.5121
H5	2.1311	1.0845	2.8345	3.0713		1.7774	1.7774
H6	2.1165	1.0900	3.4612	2.5121	1.7774		1.7491
H7	2.1165	1.0900	3.4612	2.5121	1.7774	1.7491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.250	C1	C2	H6	109.736
C1	C2	H7	109.736	C2	C1	S3	125.724
C2	C1	H4	115.169	S3	C1	H4	119.107
H5	C2	H6	109.649	H5	C2	H7	109.649
H6	C2	H7	106.715

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)