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	hartrees
Energy at 0K	-475.971999
Energy at 298.15K	-475.975857
HF Energy	-475.588869
Nuclear repulsion energy	93.082322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	2984	12.16
2	A'	3181	2943	19.55
3	A'	3103	2871	7.12
4	A'	1553	1437	4.89
5	A'	1473	1363	43.40
6	A'	1455	1347	33.56
7	A'	1227	1135	34.92
8	A'	1137	1052	5.10
9	A'	872	807	0.25
10	A'	413	382	1.01
11	A"	3162	2926	12.27
12	A"	1537	1422	12.81
13	A"	1099	1016	5.99
14	A"	800	740	19.77
15	A"	165	153	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.616	0.000
C2	-1.494	0.703	0.000
S3	0.879	-0.733	0.000
H4	0.514	1.576	0.000
H5	-1.951	-0.283	0.000
H6	-1.832	1.260	0.877
H7	-1.832	1.260	-0.877

	C1	C2	S3	H4	H5	H6	H7
C1		1.4967	1.6102	1.0892	2.1479	2.1309	2.1309
C2	1.4967		2.7739	2.1902	1.0866	1.0926	1.0926
S3	1.6102	2.7739		2.3377	2.8653	3.4773	3.4773
H4	1.0892	2.1902	2.3377		3.0876	2.5250	2.5250
H5	2.1479	1.0866	2.8653	3.0876		1.7788	1.7788
H6	2.1309	1.0926	3.4773	2.5250	1.7788		1.7543
H7	2.1309	1.0926	3.4773	2.5250	1.7788	1.7543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.512	C1	C2	H6	109.779
C1	C2	H7	109.779	C2	C1	S3	126.418
C2	C1	H4	114.856	S3	C1	H4	118.726
H5	C2	H6	109.430	H5	C2	H7	109.430
H6	C2	H7	106.794

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CISD/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: CISD/6-311G*

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)