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	hartrees
Energy at 0K	-474.097393
Energy at 298.15K
HF Energy	-474.010135
Nuclear repulsion energy	91.324089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3184	11.46
2	A'	3158	3158	7.51
3	A'	3055	3055	1.63
4	A'	1558	1558	8.22
5	A'	1469	1469	14.49
6	A'	1413	1413	42.15
7	A'	1140	1140	11.09
8	A'	1111	1111	37.70
9	A'	807	807	0.24
10	A'	400	400	1.72
11	A"	3100	3100	6.18
12	A"	1557	1557	13.55
13	A"	1090	1090	1.84
14	A"	791	791	27.78
15	A"	163	163	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.653	0.000
C2	-1.496	0.746	0.000
S3	0.879	-0.773	0.000
H4	0.534	1.601	0.000
H5	-1.951	-0.244	0.000
H6	-1.834	1.306	0.881
H7	-1.834	1.306	-0.881

	C1	C2	S3	H4	H5	H6	H7
C1		1.4987	1.6749	1.0879	2.1472	2.1367	2.1367
C2	1.4987		2.8188	2.2023	1.0898	1.0974	1.0974
S3	1.6749	2.8188		2.3986	2.8785	3.5294	3.5294
H4	1.0879	2.2023	2.3986		3.0948	2.5433	2.5433
H5	2.1472	1.0898	2.8785	3.0948		1.7871	1.7871
H6	2.1367	1.0974	3.5294	2.5433	1.7871		1.7622
H7	2.1367	1.0974	3.5294	2.5433	1.7871	1.7622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.116	C1	C2	H6	109.817
C1	C2	H7	109.817	C2	C1	S3	125.210
C2	C1	H4	115.829	S3	C1	H4	118.961
H5	C2	H6	109.587	H5	C2	H7	109.587
H6	C2	H7	106.820

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/3-21G

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)