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	hartrees
Energy at 0K	-476.119969
Energy at 298.15K	-476.123814
HF Energy	-475.568790
Nuclear repulsion energy	93.071118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3028	4.81
2	A'	3159	2975	11.83
3	A'	3089	2908	3.78
4	A'	1527	1438	3.97
5	A'	1436	1352	22.65
6	A'	1414	1331	44.90
7	A'	1204	1133	23.48
8	A'	1107	1043	4.95
9	A'	855	805	0.74
10	A'	400	376	1.90
11	A"	3154	2970	5.52
12	A"	1520	1432	7.81
13	A"	1075	1012	2.79
14	A"	786	740	12.68
15	A"	178	168	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.620	0.000
C2	-1.492	0.701	0.000
S3	0.878	-0.733	0.000
H4	0.508	1.583	0.000
H5	-1.945	-0.287	0.000
H6	-1.831	1.258	0.877
H7	-1.831	1.258	-0.877

	C1	C2	S3	H4	H5	H6	H7
C1		1.4945	1.6130	1.0893	2.1459	2.1281	2.1281
C2	1.4945		2.7707	2.1861	1.0869	1.0927	1.0927
S3	1.6130	2.7707		2.3461	2.8581	3.4749	3.4749
H4	1.0893	2.1861	2.3461		3.0845	2.5187	2.5187
H5	2.1459	1.0869	2.8581	3.0845		1.7805	1.7805
H6	2.1281	1.0927	3.4749	2.5187	1.7805		1.7537
H7	2.1281	1.0927	3.4749	2.5187	1.7805	1.7537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.482	C1	C2	H6	109.705
C1	C2	H7	109.705	C2	C1	S3	126.110
C2	C1	H4	114.663	S3	C1	H4	119.227
H5	C2	H6	109.551	H5	C2	H7	109.551
H6	C2	H7	106.731

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)