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	hartrees
Energy at 0K	-476.545567
Energy at 298.15K
HF Energy	-476.403710
Nuclear repulsion energy	92.656222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3201	8.11
2	A'	3133	3133	21.64
3	A'	3068	3068	4.41
4	A'	1515	1515	3.43
5	A'	1425	1425	25.27
6	A'	1408	1408	47.11
7	A'	1181	1181	32.23
8	A'	1102	1102	6.54
9	A'	841	841	0.71
10	A'	400	400	1.74
11	A"	3130	3130	8.42
12	A"	1509	1509	9.32
13	A"	1064	1064	2.87
14	A"	778	778	13.98
15	A"	169	169	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.624	0.000
C2	-1.491	0.718	0.000
S3	0.877	-0.745	0.000
H4	0.518	1.584	0.000
H5	-1.954	-0.267	0.000
H6	-1.826	1.280	0.877
H7	-1.826	1.280	-0.877

	C1	C2	S3	H4	H5	H6	H7
C1		1.4945	1.6259	1.0915	2.1475	2.1298	2.1298
C2	1.4945		2.7843	2.1882	1.0879	1.0944	1.0944
S3	1.6259	2.7843		2.3573	2.8719	3.4904	3.4904
H4	1.0915	2.1882	2.3573		3.0884	2.5212	2.5212
H5	2.1475	1.0879	2.8719	3.0884		1.7830	1.7830
H6	2.1298	1.0944	3.4904	2.5212	1.7830		1.7539
H7	2.1298	1.0944	3.4904	2.5212	1.7830	1.7539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.564	C1	C2	H6	109.741
C1	C2	H7	109.741	C2	C1	S3	126.274
C2	C1	H4	114.705	S3	C1	H4	119.021
H5	C2	H6	109.577	H5	C2	H7	109.577
H6	C2	H7	106.510

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)