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	hartrees
Energy at 0K	-476.618385
Energy at 298.15K	-476.622191
HF Energy	-476.437505
Nuclear repulsion energy	92.692610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3169	11.76
2	A'	3107	3107	27.28
3	A'	3046	3046	5.72
4	A'	1514	1514	4.66
5	A'	1422	1422	23.19
6	A'	1407	1407	57.35
7	A'	1178	1178	39.51
8	A'	1103	1103	7.90
9	A'	839	839	0.45
10	A'	402	402	0.96
11	A"	3100	3100	10.82
12	A"	1503	1503	13.15
13	A"	1062	1062	4.85
14	A"	776	776	20.31
15	A"	163	163	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.622	0.000
C2	-1.491	0.718	0.000
S3	0.877	-0.745	0.000
H4	0.523	1.580	0.000
H5	-1.959	-0.265	0.000
H6	-1.827	1.282	0.877
H7	-1.827	1.282	-0.877

	C1	C2	S3	H4	H5	H6	H7
C1		1.4943	1.6238	1.0920	2.1498	2.1311	2.1311
C2	1.4943		2.7838	2.1907	1.0882	1.0949	1.0949
S3	1.6238	2.7838		2.3521	2.8763	3.4911	3.4911
H4	1.0920	2.1907	2.3521		3.0921	2.5255	2.5255
H5	2.1498	1.0882	2.8763	3.0921		1.7823	1.7823
H6	2.1311	1.0949	3.4911	2.5255	1.7823		1.7534
H7	2.1311	1.0949	3.4911	2.5255	1.7823	1.7534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.741	C1	C2	H6	109.829
C1	C2	H7	109.829	C2	C1	S3	126.403
C2	C1	H4	114.895	S3	C1	H4	118.702
H5	C2	H6	109.452	H5	C2	H7	109.452
H6	C2	H7	106.392

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: B2PLYP=FULL/6-311G*

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=FULL/6-311G*

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)