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	hartrees
Energy at 0K	-476.631410
Energy at 298.15K	-476.635214
HF Energy	-476.443342
Nuclear repulsion energy	92.707280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3164	9.98
2	A'	3102	3102	24.30
3	A'	3040	3040	4.72
4	A'	1495	1495	4.19
5	A'	1404	1404	36.00
6	A'	1394	1394	42.46
7	A'	1175	1175	39.93
8	A'	1095	1095	6.43
9	A'	836	836	0.62
10	A'	399	399	1.01
11	A"	3096	3096	8.99
12	A"	1486	1486	11.79
13	A"	1052	1052	5.20
14	A"	774	774	18.02
15	A"	163	163	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.622	0.000
C2	-1.492	0.716	0.000
S3	0.877	-0.744	0.000
H4	0.521	1.582	0.000
H5	-1.956	-0.268	0.000
H6	-1.825	1.280	0.878
H7	-1.825	1.280	-0.878

	C1	C2	S3	H4	H5	H6	H7
C1		1.4945	1.6236	1.0919	2.1489	2.1291	2.1291
C2	1.4945		2.7828	2.1906	1.0886	1.0953	1.0953
S3	1.6236	2.7828		2.3532	2.8725	3.4883	3.4883
H4	1.0919	2.1906	2.3532		3.0914	2.5225	2.5225
H5	2.1489	1.0886	2.8725	3.0914		1.7849	1.7849
H6	2.1291	1.0953	3.4883	2.5225	1.7849		1.7560
H7	2.1291	1.0953	3.4883	2.5225	1.7849	1.7560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.622	C1	C2	H6	109.629
C1	C2	H7	109.629	C2	C1	S3	126.311
C2	C1	H4	114.874	S3	C1	H4	118.815
H5	C2	H6	109.630	H5	C2	H7	109.630
H6	C2	H7	106.568

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)