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	hartrees
Energy at 0K	-473.442325
Energy at 298.15K	-473.446103
HF Energy	-473.165117
Nuclear repulsion energy	90.617595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3134	3037	18.83
2	A'	3117	3021	1.07
3	A'	3014	2921	4.85
4	A'	1554	1507	6.71
5	A'	1469	1424	10.81
6	A'	1410	1367	33.59
7	A'	1125	1091	1.57
8	A'	1094	1060	31.69
9	A'	785	761	0.16
10	A'	395	383	1.49
11	A"	3062	2968	9.73
12	A"	1554	1506	10.74
13	A"	1086	1053	2.33
14	A"	777	753	24.70
15	A"	158	153	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.659	0.000
C2	-1.511	0.752	0.000
S3	0.887	-0.778	0.000
H4	0.536	1.611	0.000
H5	-1.960	-0.248	0.000
H6	-1.851	1.308	0.888
H7	-1.851	1.308	-0.888

	C1	C2	S3	H4	H5	H6	H7
C1		1.5134	1.6886	1.0922	2.1598	2.1533	2.1533
C2	1.5134		2.8438	2.2197	1.0959	1.1020	1.1020
S3	1.6886	2.8438		2.4141	2.8961	3.5548	3.5548
H4	1.0922	2.2197	2.4141		3.1122	2.5651	2.5651
H5	2.1598	1.0959	2.8961	3.1122		1.7947	1.7947
H6	2.1533	1.1020	3.5548	2.5651	1.7947		1.7764
H7	2.1533	1.1020	3.5548	2.5651	1.7947	1.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.720	C1	C2	H6	109.838
C1	C2	H7	109.838	C2	C1	S3	125.191
C2	C1	H4	115.890	S3	C1	H4	118.919
H5	C2	H6	109.487	H5	C2	H7	109.487
H6	C2	H7	107.408

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)