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	hartrees
Energy at 0K	-476.084668
Energy at 298.15K	-476.088494
HF Energy	-475.568553
Nuclear repulsion energy	92.803157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3029	4.99
2	A'	3150	2978	11.39
3	A'	3077	2910	4.01
4	A'	1513	1431	3.86
5	A'	1428	1350	20.54
6	A'	1407	1331	44.31
7	A'	1191	1126	24.69
8	A'	1100	1040	4.76
9	A'	847	801	0.74
10	A'	397	375	1.94
11	A"	3141	2970	5.85
12	A"	1506	1424	7.62
13	A"	1067	1009	3.02
14	A"	778	735	12.51
15	A"	174	165	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.623	0.000
C2	-1.497	0.701	0.000
S3	0.881	-0.735	0.000
H4	0.511	1.587	0.000
H5	-1.947	-0.290	0.000
H6	-1.838	1.259	0.879
H7	-1.838	1.259	-0.879

	C1	C2	S3	H4	H5	H6	H7
C1		1.4994	1.6185	1.0912	2.1508	2.1340	2.1340
C2	1.4994		2.7783	2.1950	1.0890	1.0949	1.0949
S3	1.6185	2.7783		2.3511	2.8630	3.4841	3.4841
H4	1.0912	2.1950	2.3511		3.0933	2.5292	2.5292
H5	2.1508	1.0890	2.8630	3.0933		1.7845	1.7845
H6	2.1340	1.0949	3.4841	2.5292	1.7845		1.7573
H7	2.1340	1.0949	3.4841	2.5292	1.7845	1.7573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.408	C1	C2	H6	109.702
C1	C2	H7	109.702	C2	C1	S3	125.975
C2	C1	H4	114.931	S3	C1	H4	119.094
H5	C2	H6	109.591	H5	C2	H7	109.591
H6	C2	H7	106.733

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCSD/6-31G(2df,p)

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: CCSD/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)