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	hartrees
Energy at 0K	-476.010967
Energy at 298.15K	-476.014775
HF Energy	-475.582253
Nuclear repulsion energy	92.151208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3055	5.61
2	A'	3118	2990	20.29
3	A'	3048	2923	5.32
4	A'	1469	1409	5.87
5	A'	1382	1326	51.76
6	A'	1367	1311	9.08
7	A'	1188	1139	16.63
8	A'	1081	1037	1.91
9	A'	840	805	3.29
10	A'	396	380	1.31
11	A"	3125	2997	5.95
12	A"	1459	1399	7.96
13	A"	1032	990	6.66
14	A"	754	723	14.42
15	A"	173	166	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.632	0.000
C2	-1.500	0.713	0.000
S3	0.881	-0.746	0.000
H4	0.529	1.599	0.000
H5	-1.953	-0.288	0.000
H6	-1.840	1.278	0.886
H7	-1.840	1.278	-0.886

	C1	C2	S3	H4	H5	H6	H7
C1		1.5019	1.6355	1.1025	2.1583	2.1418	2.1418
C2	1.5019		2.7924	2.2139	1.0984	1.1043	1.1043
S3	1.6355	2.7924		2.3712	2.8709	3.5050	3.5050
H4	1.1025	2.2139	2.3712		3.1176	2.5497	2.5497
H5	2.1583	1.0984	2.8709	3.1176		1.8021	1.8021
H6	2.1418	1.1043	3.5050	2.5497	1.8021		1.7719
H7	2.1418	1.1043	3.5050	2.5497	1.8021	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.262	C1	C2	H6	109.590
C1	C2	H7	109.590	C2	C1	S3	125.707
C2	C1	H4	115.587	S3	C1	H4	118.706
H5	C2	H6	109.798	H5	C2	H7	109.798
H6	C2	H7	106.695

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2/aug-cc-pVDZ

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: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)