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	hartrees
Energy at 0K	-476.148670
Energy at 298.15K	-476.152491
HF Energy	-475.609555
Nuclear repulsion energy	92.923656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3017	7.26
2	A'	3107	2963	15.40
3	A'	3043	2902	6.40
4	A'	1506	1436	5.53
5	A'	1421	1356	18.61
6	A'	1398	1333	48.01
7	A'	1182	1128	28.73
8	A'	1096	1045	5.07
9	A'	844	805	0.47
10	A'	396	378	1.67
11	A"	3102	2958	7.54
12	A"	1500	1430	7.60
13	A"	1060	1011	5.22
14	A"	772	736	12.99
15	A"	171	163	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.622	0.000
C2	-1.495	0.702	0.000
S3	0.879	-0.735	0.000
H4	0.512	1.585	0.000
H5	-1.946	-0.287	0.000
H6	-1.833	1.259	0.878
H7	-1.833	1.259	-0.878

	C1	C2	S3	H4	H5	H6	H7
C1		1.4967	1.6167	1.0907	2.1482	2.1299	2.1299
C2	1.4967		2.7747	2.1925	1.0875	1.0935	1.0935
S3	1.6167	2.7747		2.3485	2.8607	3.4788	3.4788
H4	1.0907	2.1925	2.3485		3.0902	2.5251	2.5251
H5	2.1482	1.0875	2.8607	3.0902		1.7820	1.7820
H6	2.1299	1.0935	3.4788	2.5251	1.7820		1.7556
H7	2.1299	1.0935	3.4788	2.5251	1.7820	1.7556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.475	C1	C2	H6	109.644
C1	C2	H7	109.644	C2	C1	S3	126.010
C2	C1	H4	114.943	S3	C1	H4	119.046
H5	C2	H6	109.587	H5	C2	H7	109.587
H6	C2	H7	106.790

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: QCISD/6-311+G(3df,2p)

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: QCISD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)