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	hartrees
Energy at 0K	-476.019228
Energy at 298.15K	-476.023053
HF Energy	-475.576199
Nuclear repulsion energy	92.275490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3049	8.48
2	A'	3121	2986	21.83
3	A'	3057	2925	9.87
4	A'	1489	1424	5.04
5	A'	1418	1357	41.89
6	A'	1394	1333	10.65
7	A'	1203	1151	13.63
8	A'	1094	1046	1.04
9	A'	855	818	2.73
10	A'	399	382	1.58
11	A"	3129	2994	10.74
12	A"	1477	1413	7.90
13	A"	1053	1007	4.23
14	A"	768	735	13.15
15	A"	173	166	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.625	0.000
C2	-1.505	0.701	0.000
S3	0.886	-0.737	0.000
H4	0.511	1.605	0.000
H5	-1.957	-0.303	0.000
H6	-1.852	1.262	0.889
H7	-1.852	1.262	-0.889

	C1	C2	S3	H4	H5	H6	H7
C1		1.5069	1.6250	1.1049	2.1659	2.1507	2.1507
C2	1.5069		2.7902	2.2096	1.1013	1.1068	1.1068
S3	1.6250	2.7902		2.3714	2.8758	3.5049	3.5049
H4	1.1049	2.2096	2.3714		3.1197	2.5481	2.5481
H5	2.1659	1.1013	2.8758	3.1197		1.8033	1.8033
H6	2.1507	1.1068	3.5049	2.5481	1.8033		1.7771
H7	2.1507	1.1068	3.5049	2.5481	1.8033	1.7771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.339	C1	C2	H6	109.798
C1	C2	H7	109.798	C2	C1	S3	125.927
C2	C1	H4	114.688	S3	C1	H4	119.385
H5	C2	H6	109.501	H5	C2	H7	109.501
H6	C2	H7	106.796

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)