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	hartrees
Energy at 0K	-476.023616
Energy at 298.15K	-476.027433
HF Energy	-475.597651
Nuclear repulsion energy	92.819238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3034	7.90
2	A'	3134	2971	21.20
3	A'	3072	2912	6.63
4	A'	1505	1427	6.18
5	A'	1419	1345	25.99
6	A'	1405	1332	25.20
7	A'	1196	1133	17.48
8	A'	1104	1047	1.05
9	A'	847	803	3.44
10	A'	403	382	1.01
11	A"	3146	2982	7.96
12	A"	1486	1409	9.59
13	A"	1063	1007	7.70
14	A"	773	733	13.72
15	A"	163	154	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.627	0.000
C2	-1.491	0.708	0.000
S3	0.877	-0.740	0.000
H4	0.517	1.587	0.000
H5	-1.940	-0.283	0.000
H6	-1.831	1.262	0.879
H7	-1.831	1.262	-0.879

	C1	C2	S3	H4	H5	H6	H7
C1		1.4930	1.6240	1.0905	2.1425	2.1275	2.1275
C2	1.4930		2.7750	2.1918	1.0875	1.0929	1.0929
S3	1.6240	2.7750		2.3550	2.8533	3.4798	3.4798
H4	1.0905	2.1918	2.3550		3.0874	2.5276	2.5276
H5	2.1425	1.0875	2.8533	3.0874		1.7802	1.7802
H6	2.1275	1.0929	3.4798	2.5276	1.7802		1.7572
H7	2.1275	1.0929	3.4798	2.5276	1.7802	1.7572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.285	C1	C2	H6	109.754
C1	C2	H7	109.754	C2	C1	S3	125.770
C2	C1	H4	115.191	S3	C1	H4	119.038
H5	C2	H6	109.470	H5	C2	H7	109.470
H6	C2	H7	107.010

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2/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: MP2/TZVP

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)