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	hartrees
Energy at 0K	-476.222806
Energy at 298.15K	-476.226671
HF Energy	-475.615146
Nuclear repulsion energy	93.258332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3010	10.14
2	A'	3146	2982	12.51
3	A'	3066	2907	6.14
4	A'	1515	1436	5.32
5	A'	1429	1355	35.68
6	A'	1414	1340	26.75
7	A'	1198	1136	25.98
8	A'	1106	1048	4.15
9	A'	853	809	0.92
10	A'	399	378	1.90
11	A"	3110	2949	8.04
12	A"	1509	1431	7.97
13	A"	1075	1019	5.03
14	A"	793	752	12.61
15	A"	185	176	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.622	0.000
C2	-1.486	0.703	0.000
S3	0.874	-0.735	0.000
H4	0.510	1.577	0.000
H5	-1.932	-0.284	0.000
H6	-1.824	1.257	0.875
H7	-1.824	1.257	-0.875

	C1	C2	S3	H4	H5	H6	H7
C1		1.4886	1.6144	1.0823	2.1338	2.1203	2.1203
C2	1.4886		2.7639	2.1798	1.0828	1.0891	1.0891
S3	1.6144	2.7639		2.3399	2.8417	3.4660	3.4660
H4	1.0823	2.1798	2.3399		3.0703	2.5137	2.5137
H5	2.1338	1.0828	2.8417	3.0703		1.7753	1.7753
H6	2.1203	1.0891	3.4660	2.5137	1.7753		1.7491
H7	2.1203	1.0891	3.4660	2.5137	1.7753	1.7491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.182	C1	C2	H6	109.710
C1	C2	H7	109.710	C2	C1	S3	125.881
C2	C1	H4	115.051	S3	C1	H4	119.068
H5	C2	H6	109.649	H5	C2	H7	109.649
H6	C2	H7	106.841

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)