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	hartrees
Energy at 0K	-476.287903
Energy at 298.15K	-476.291781
HF Energy	-475.617343
Nuclear repulsion energy	93.549667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3196	10.10
2	A'	3170	3170	10.60
3	A'	3086	3086	4.97
4	A'	1519	1519	5.83
5	A'	1431	1431	48.46
6	A'	1418	1418	13.76
7	A'	1212	1212	23.66
8	A'	1110	1110	2.43
9	A'	862	862	2.09
10	A'	402	402	1.84
11	A"	3132	3132	6.99
12	A"	1510	1510	8.48
13	A"	1079	1079	5.69
14	A"	797	797	13.74
15	A"	188	188	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.618	0.000
C2	-1.486	0.694	0.000
S3	0.875	-0.728	0.000
H4	0.505	1.574	0.000
H5	-1.928	-0.294	0.000
H6	-1.827	1.246	0.873
H7	-1.827	1.246	-0.873

	C1	C2	S3	H4	H5	H6	H7
C1		1.4881	1.6053	1.0806	2.1326	2.1196	2.1196
C2	1.4881		2.7555	2.1773	1.0816	1.0877	1.0877
S3	1.6053	2.7555		2.3306	2.8355	3.4575	3.4575
H4	1.0806	2.1773	2.3306		3.0670	2.5117	2.5117
H5	2.1326	1.0816	2.8355	3.0670		1.7728	1.7728
H6	2.1196	1.0877	3.4575	2.5117	1.7728		1.7459
H7	2.1196	1.0877	3.4575	2.5117	1.7728	1.7459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.193	C1	C2	H6	109.776
C1	C2	H7	109.776	C2	C1	S3	125.902
C2	C1	H4	114.996	S3	C1	H4	119.103
H5	C2	H6	109.621	H5	C2	H7	109.621
H6	C2	H7	106.750

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP3=FULL/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)