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	hartrees
Energy at 0K	-476.146861
Energy at 298.15K	-476.150684
HF Energy	-475.588585
Nuclear repulsion energy	92.857524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3029	7.38
2	A'	3124	2958	23.93
3	A'	3069	2906	4.89
4	A'	1524	1444	5.90
5	A'	1433	1357	35.55
6	A'	1421	1346	31.71
7	A'	1212	1148	20.04
8	A'	1115	1056	2.13
9	A'	856	811	3.13
10	A'	408	386	0.59
11	A"	3142	2976	7.74
12	A"	1510	1430	14.02
13	A"	1070	1013	5.90
14	A"	778	736	23.56
15	A"	162	153	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.621	0.000
C2	-1.493	0.706	0.000
S3	0.878	-0.737	0.000
H4	0.520	1.584	0.000
H5	-1.948	-0.284	0.000
H6	-1.834	1.264	0.879
H7	-1.834	1.264	-0.879

	C1	C2	S3	H4	H5	H6	H7
C1		1.4956	1.6179	1.0940	2.1477	2.1331	2.1331
C2	1.4956		2.7764	2.1962	1.0895	1.0951	1.0951
S3	1.6179	2.7764		2.3486	2.8621	3.4837	3.4837
H4	1.0940	2.1962	2.3486		3.0948	2.5335	2.5335
H5	2.1477	1.0895	2.8621	3.0948		1.7833	1.7833
H6	2.1331	1.0951	3.4837	2.5335	1.7833		1.7574
H7	2.1331	1.0951	3.4837	2.5335	1.7833	1.7574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.390	C1	C2	H6	109.880
C1	C2	H7	109.880	C2	C1	S3	126.141
C2	C1	H4	115.131	S3	C1	H4	118.729
H5	C2	H6	109.429	H5	C2	H7	109.429
H6	C2	H7	106.719

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)