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	hartrees
Energy at 0K	-476.162199
Energy at 298.15K	-476.166041
HF Energy	-475.616385
Nuclear repulsion energy	93.079589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3033	6.57
2	A'	3121	2987	13.13
3	A'	3048	2917	5.92
4	A'	1511	1446	6.03
5	A'	1424	1363	26.39
6	A'	1410	1350	34.78
7	A'	1199	1148	22.26
8	A'	1104	1057	2.58
9	A'	854	817	1.88
10	A'	397	380	1.70
11	A"	3108	2974	6.71
12	A"	1502	1438	7.75
13	A"	1069	1023	5.85
14	A"	775	742	14.34
15	A"	177	169	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.621	0.000
C2	-1.493	0.698	0.000
S3	0.878	-0.732	0.000
H4	0.512	1.582	0.000
H5	-1.940	-0.293	0.000
H6	-1.834	1.254	0.877
H7	-1.834	1.254	-0.877

	C1	C2	S3	H4	H5	H6	H7
C1		1.4950	1.6133	1.0889	2.1444	2.1287	2.1287
C2	1.4950		2.7690	2.1917	1.0871	1.0930	1.0930
S3	1.6133	2.7690		2.3430	2.8517	3.4737	3.4737
H4	1.0889	2.1917	2.3430		3.0869	2.5260	2.5260
H5	2.1444	1.0871	2.8517	3.0869		1.7816	1.7816
H6	2.1287	1.0930	3.4737	2.5260	1.7816		1.7549
H7	2.1287	1.0930	3.4737	2.5260	1.7816	1.7549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.322	C1	C2	H6	109.704
C1	C2	H7	109.704	C2	C1	S3	125.913
C2	C1	H4	115.130	S3	C1	H4	118.957
H5	C2	H6	109.609	H5	C2	H7	109.609
H6	C2	H7	106.787

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCD/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: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)