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	hartrees
Energy at 0K	-23.578757
Energy at 298.15K	-23.582525
HF Energy	-23.214172
Nuclear repulsion energy	35.046888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3051	13.28
2	A'	3139	2980	30.42
3	A'	3079	2924	11.25
4	A'	1506	1430	6.86
5	A'	1429	1356	22.54
6	A'	1397	1326	27.24
7	A'	1196	1136	14.17
8	A'	1104	1048	3.89
9	A'	845	802	4.07
10	A'	391	371	0.88
11	A"	3161	3001	16.58
12	A"	1498	1422	14.56
13	A"	1066	1012	4.97
14	A"	767	728	21.77
15	A"	154	146	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.636	0.000
C2	-1.520	0.707	0.000
S3	0.893	-0.744	0.000
H4	0.520	1.610	0.000
H5	-1.964	-0.301	0.000
H6	-1.863	1.268	0.890
H7	-1.863	1.268	-0.890

	C1	C2	S3	H4	H5	H6	H7
C1		1.5214	1.6433	1.1049	2.1756	2.1592	2.1592
C2	1.5214		2.8150	2.2315	1.1009	1.1069	1.1069
S3	1.6433	2.8150		2.3834	2.8907	3.5259	3.5259
H4	1.1049	2.2315	2.3834		3.1343	2.5671	2.5671
H5	2.1756	1.1009	2.8907	3.1343		1.8063	1.8063
H6	2.1592	1.1069	3.5259	2.5671	1.8063		1.7805
H7	2.1592	1.1069	3.5259	2.5671	1.8063	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.117	C1	C2	H6	109.466
C1	C2	H7	109.466	C2	C1	S3	125.580
C2	C1	H4	115.436	S3	C1	H4	118.984
H5	C2	H6	109.810	H5	C2	H7	109.810
H6	C2	H7	107.084

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2/CEP-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: MP2/CEP-31G*

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)