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	hartrees
Energy at 0K	-476.158611
Energy at 298.15K	-476.162432
HF Energy	-475.614843
Nuclear repulsion energy	92.842649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3024	8.52
2	A'	3118	2979	16.13
3	A'	3045	2909	6.65
4	A'	1501	1435	4.99
5	A'	1416	1353	26.44
6	A'	1398	1336	37.78
7	A'	1181	1129	27.77
8	A'	1094	1046	5.33
9	A'	842	804	0.56
10	A'	394	377	1.96
11	A"	3104	2966	8.72
12	A"	1496	1430	7.74
13	A"	1061	1014	4.48
14	A"	775	741	12.30
15	A"	170	163	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.624	0.000
C2	-1.494	0.705	0.000
S3	0.879	-0.738	0.000
H4	0.513	1.585	0.000
H5	-1.943	-0.284	0.000
H6	-1.832	1.262	0.877
H7	-1.832	1.262	-0.877

	C1	C2	S3	H4	H5	H6	H7
C1		1.4961	1.6209	1.0889	2.1452	2.1293	2.1293
C2	1.4961		2.7768	2.1914	1.0868	1.0928	1.0928
S3	1.6209	2.7768		2.3511	2.8579	3.4811	3.4811
H4	1.0889	2.1914	2.3511		3.0867	2.5252	2.5252
H5	2.1452	1.0868	2.8579	3.0867		1.7813	1.7813
H6	2.1293	1.0928	3.4811	2.5252	1.7813		1.7548
H7	2.1293	1.0928	3.4811	2.5252	1.7813	1.7548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.318	C1	C2	H6	109.685
C1	C2	H7	109.685	C2	C1	S3	125.919
C2	C1	H4	115.025	S3	C1	H4	119.056
H5	C2	H6	109.618	H5	C2	H7	109.618
H6	C2	H7	106.812

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)