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	hartrees
Energy at 0K	-476.561503
Energy at 298.15K	-476.565309
HF Energy	-476.420095
Nuclear repulsion energy	92.319173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3047	6.82
2	A'	3098	2969	25.94
3	A'	3045	2918	5.59
4	A'	1469	1408	5.19
5	A'	1385	1328	43.07
6	A'	1372	1315	28.94
7	A'	1174	1125	28.54
8	A'	1080	1035	5.69
9	A'	837	803	1.20
10	A'	395	378	2.01
11	A"	3111	2981	7.26
12	A"	1461	1400	9.15
13	A"	1040	997	2.47
14	A"	767	735	11.97
15	A"	174	166	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.627	0.000
C2	-1.494	0.717	0.000
S3	0.879	-0.747	0.000
H4	0.521	1.598	0.000
H5	-1.959	-0.277	0.000
H6	-1.832	1.286	0.884
H7	-1.832	1.286	-0.884

	C1	C2	S3	H4	H5	H6	H7
C1		1.4970	1.6311	1.1023	2.1572	2.1384	2.1384
C2	1.4970		2.7890	2.1991	1.0972	1.1037	1.1037
S3	1.6311	2.7890		2.3726	2.8770	3.5025	3.5025
H4	1.1023	2.1991	2.3726		3.1087	2.5329	2.5329
H5	2.1572	1.0972	2.8770	3.1087		1.7995	1.7995
H6	2.1384	1.1037	3.5025	2.5329	1.7995		1.7670
H7	2.1384	1.1037	3.5025	2.5329	1.7995	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.583	C1	C2	H6	109.696
C1	C2	H7	109.696	C2	C1	S3	126.094
C2	C1	H4	114.720	S3	C1	H4	119.187
H5	C2	H6	109.688	H5	C2	H7	109.688
H6	C2	H7	106.351

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)