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	hartrees
Energy at 0K	-23.392759
Energy at 298.15K	-23.396538
HF Energy	-23.154941
Nuclear repulsion energy	34.609814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3101	3026	27.95
2	A'	3070	2997	18.06
3	A'	2958	2887	16.39
4	A'	1516	1480	10.13
5	A'	1445	1410	13.49
6	A'	1397	1364	23.21
7	A'	1162	1134	13.05
8	A'	1103	1077	2.19
9	A'	806	786	3.84
10	A'	390	381	0.65
11	A"	3048	2975	23.18
12	A"	1493	1457	12.56
13	A"	1070	1045	10.81
14	A"	772	753	26.17
15	A"	151	147	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.658	0.000
C2	-1.527	0.760	0.000
S3	0.896	-0.782	0.000
H4	0.550	1.611	0.000
H5	-1.987	-0.239	0.000
H6	-1.867	1.318	0.891
H7	-1.867	1.318	-0.891

	C1	C2	S3	H4	H5	H6	H7
C1		1.5308	1.6964	1.0999	2.1805	2.1719	2.1719
C2	1.5308		2.8724	2.2453	1.0998	1.1054	1.1054
S3	1.6964	2.8724		2.4177	2.9338	3.5838	3.5838
H4	1.0999	2.2453	2.4177		3.1403	2.5933	2.5933
H5	2.1805	1.0998	2.9338	3.1403		1.7987	1.7987
H6	2.1719	1.1054	3.5838	2.5933	1.7987		1.7823
H7	2.1719	1.1054	3.5838	2.5933	1.7987	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.909	C1	C2	H6	109.898
C1	C2	H7	109.898	C2	C1	S3	125.679
C2	C1	H4	116.226	S3	C1	H4	118.095
H5	C2	H6	109.311	H5	C2	H7	109.311
H6	C2	H7	107.444

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)