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	hartrees
Energy at 0K	-475.755529
Energy at 298.15K	-475.759356
HF Energy	-475.487064
Nuclear repulsion energy	90.857330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3012	27.44
2	A'	3119	2993	1.05
3	A'	3008	2886	10.28
4	A'	1539	1476	6.94
5	A'	1469	1410	10.36
6	A'	1440	1382	27.92
7	A'	1188	1140	14.48
8	A'	1127	1081	2.73
9	A'	837	803	2.65
10	A'	407	390	1.07
11	A"	3066	2942	16.34
12	A"	1528	1467	10.90
13	A"	1093	1049	5.65
14	A"	782	750	26.37
15	A"	165	159	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.648	0.000
C2	-1.507	0.755	0.000
S3	0.885	-0.775	0.000
H4	0.546	1.598	0.000
H5	-1.974	-0.240	0.000
H6	-1.850	1.314	0.889
H7	-1.850	1.314	-0.889

	C1	C2	S3	H4	H5	H6	H7
C1		1.5105	1.6761	1.0957	2.1649	2.1576	2.1576
C2	1.5105		2.8397	2.2194	1.0993	1.1050	1.1050
S3	1.6761	2.8397		2.3970	2.9096	3.5547	3.5547
H4	1.0957	2.2194	2.3970		3.1195	2.5714	2.5714
H5	2.1649	1.0993	2.9096	3.1195		1.7948	1.7948
H6	2.1576	1.1050	3.5547	2.5714	1.7948		1.7787
H7	2.1576	1.1050	3.5547	2.5714	1.7948	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.117	C1	C2	H6	110.198
C1	C2	H7	110.198	C2	C1	S3	125.953
C2	C1	H4	115.852	S3	C1	H4	118.196
H5	C2	H6	109.019	H5	C2	H7	109.019
H6	C2	H7	107.194

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCD/6-31G

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: CCD/6-31G

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)