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	hartrees
Energy at 0K	-473.619804
Energy at 298.15K	-473.623653
HF Energy	-473.274035
Nuclear repulsion energy	92.466566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3171	10.53
2	A'	3132	3132	12.40
3	A'	3061	3061	4.06
4	A'	1575	1575	5.48
5	A'	1483	1483	10.33
6	A'	1455	1455	37.64
7	A'	1199	1199	24.30
8	A'	1133	1133	0.74
9	A'	846	846	2.63
10	A'	414	414	1.22
11	A"	3111	3111	9.52
12	A"	1570	1570	10.88
13	A"	1114	1114	2.61
14	A"	797	797	22.31
15	A"	166	166	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.627	0.000
C2	-1.517	0.682	0.000
S3	0.893	-0.724	0.000
H4	0.492	1.602	0.000
H5	-1.935	-0.328	0.000
H6	-1.870	1.227	0.886
H7	-1.870	1.227	-0.886

	C1	C2	S3	H4	H5	H6	H7
C1		1.5179	1.6187	1.0919	2.1579	2.1544	2.1544
C2	1.5179		2.7896	2.2091	1.0930	1.0986	1.0986
S3	1.6187	2.7896		2.3596	2.8556	3.4957	3.4957
H4	1.0919	2.2091	2.3596		3.1005	2.5498	2.5498
H5	2.1579	1.0930	2.8556	3.1005		1.7907	1.7907
H6	2.1544	1.0986	3.4957	2.5498	1.7907		1.7728
H7	2.1544	1.0986	3.4957	2.5498	1.7907	1.7728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.425	C1	C2	H6	109.809
C1	C2	H7	109.809	C2	C1	S3	125.551
C2	C1	H4	114.675	S3	C1	H4	119.773
H5	C2	H6	109.589	H5	C2	H7	109.589
H6	C2	H7	107.571

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP3=FULL/3-21G*

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: MP3=FULL/3-21G*

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)