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	hartrees
Energy at 0K	-473.410012
Energy at 298.15K	-473.413868
HF Energy	-473.166634
Nuclear repulsion energy	91.517978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	2987	16.71
2	A'	3188	2970	0.17
3	A'	3080	2870	2.92
4	A'	1584	1475	7.56
5	A'	1500	1397	11.45
6	A'	1456	1356	33.39
7	A'	1167	1087	21.94
8	A'	1149	1070	11.86
9	A'	836	779	0.75
10	A'	411	383	1.65
11	A"	3126	2913	8.96
12	A"	1580	1472	12.24
13	A"	1118	1042	3.87
14	A"	807	752	28.57
15	A"	168	157	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.646	0.000
C2	-1.503	0.735	0.000
S3	0.883	-0.763	0.000
H4	0.527	1.597	0.000
H5	-1.951	-0.259	0.000
H6	-1.843	1.289	0.883
H7	-1.843	1.289	-0.883

	C1	C2	S3	H4	H5	H6	H7
C1		1.5053	1.6627	1.0868	2.1512	2.1427	2.1427
C2	1.5053		2.8167	2.2050	1.0907	1.0972	1.0972
S3	1.6627	2.8167		2.3860	2.8787	3.5245	3.5245
H4	1.0868	2.2050	2.3860		3.0962	2.5480	2.5480
H5	2.1512	1.0907	2.8787	3.0962		1.7861	1.7861
H6	2.1427	1.0972	3.5245	2.5480	1.7861		1.7669
H7	2.1427	1.0972	3.5245	2.5480	1.7861	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.916	C1	C2	H6	109.847
C1	C2	H7	109.847	C2	C1	S3	125.454
C2	C1	H4	115.630	S3	C1	H4	118.916
H5	C2	H6	109.446	H5	C2	H7	109.446
H6	C2	H7	107.263

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CID/3-21G

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: CID/3-21G

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)