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	hartrees
Energy at 0K	-475.918050
Energy at 298.15K	-475.921913
HF Energy	-475.551557
Nuclear repulsion energy	93.016740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3008	9.51
2	A'	3207	2969	16.22
3	A'	3125	2893	5.96
4	A'	1565	1449	4.06
5	A'	1488	1378	34.96
6	A'	1467	1358	35.85
7	A'	1231	1140	29.33
8	A'	1143	1058	4.95
9	A'	878	812	0.32
10	A'	414	383	1.77
11	A"	3186	2950	10.31
12	A"	1554	1439	10.23
13	A"	1110	1028	3.96
14	A"	805	745	15.76
15	A"	171	158	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.619	0.000
C2	-1.493	0.704	0.000
S3	0.879	-0.734	0.000
H4	0.512	1.580	0.000
H5	-1.946	-0.285	0.000
H6	-1.832	1.260	0.879
H7	-1.832	1.260	-0.879

	C1	C2	S3	H4	H5	H6	H7
C1		1.4958	1.6133	1.0895	2.1461	2.1307	2.1307
C2	1.4958		2.7739	2.1884	1.0878	1.0936	1.0936
S3	1.6133	2.7739		2.3437	2.8607	3.4781	3.4781
H4	1.0895	2.1884	2.3437		3.0860	2.5236	2.5236
H5	2.1461	1.0878	2.8607	3.0860		1.7811	1.7811
H6	2.1307	1.0936	3.4781	2.5236	1.7811		1.7574
H7	2.1307	1.0936	3.4781	2.5236	1.7811	1.7574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.356	C1	C2	H6	109.766
C1	C2	H7	109.766	C2	C1	S3	126.264
C2	C1	H4	114.755	S3	C1	H4	118.981
H5	C2	H6	109.463	H5	C2	H7	109.463
H6	C2	H7	106.922

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)