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	hartrees
Energy at 0K	-473.412761
Energy at 298.15K	-473.416604
HF Energy	-473.166480
Nuclear repulsion energy	91.359028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3012	16.79
2	A'	3182	2996	0.30
3	A'	3075	2894	3.13
4	A'	1581	1488	7.26
5	A'	1497	1410	11.50
6	A'	1448	1363	35.45
7	A'	1156	1088	11.48
8	A'	1140	1073	26.20
9	A'	826	778	0.24
10	A'	408	384	1.74
11	A"	3121	2938	8.70
12	A"	1578	1485	12.25
13	A"	1114	1049	3.37
14	A"	805	758	26.97
15	A"	166	156	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.649	0.000
C2	-1.503	0.739	0.000
S3	0.883	-0.766	0.000
H4	0.529	1.599	0.000
H5	-1.953	-0.255	0.000
H6	-1.843	1.295	0.884
H7	-1.843	1.295	-0.884

	C1	C2	S3	H4	H5	H6	H7
C1		1.5062	1.6679	1.0871	2.1519	2.1432	2.1432
C2	1.5062		2.8218	2.2062	1.0908	1.0974	1.0974
S3	1.6679	2.8218		2.3913	2.8821	3.5295	3.5295
H4	1.0871	2.2062	2.3913		3.0973	2.5486	2.5486
H5	2.1519	1.0908	2.8821	3.0973		1.7868	1.7868
H6	2.1432	1.0974	3.5295	2.5486	1.7868		1.7673
H7	2.1432	1.0974	3.5295	2.5486	1.7868	1.7673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.896	C1	C2	H6	109.811
C1	C2	H7	109.811	C2	C1	S3	125.423
C2	C1	H4	115.638	S3	C1	H4	118.939
H5	C2	H6	109.489	H5	C2	H7	109.489
H6	C2	H7	107.272

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

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

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)