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	hartrees
Energy at 0K	-476.290026
Energy at 298.15K	-476.293893
HF Energy	-475.617268
Nuclear repulsion energy	93.369745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3173	10.18
2	A'	3143	3143	13.09
3	A'	3066	3066	6.23
4	A'	1515	1515	5.29
5	A'	1429	1429	37.06
6	A'	1414	1414	25.70
7	A'	1199	1199	26.50
8	A'	1106	1106	3.83
9	A'	854	854	0.90
10	A'	400	400	1.85
11	A"	3111	3111	8.15
12	A"	1509	1509	7.96
13	A"	1076	1076	5.10
14	A"	794	794	12.57
15	A"	185	185	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.620	0.000
C2	-1.487	0.698	0.000
S3	0.875	-0.731	0.000
H4	0.508	1.576	0.000
H5	-1.932	-0.289	0.000
H6	-1.826	1.252	0.875
H7	-1.826	1.252	-0.875

	C1	C2	S3	H4	H5	H6	H7
C1		1.4893	1.6097	1.0825	2.1349	2.1210	2.1210
C2	1.4893		2.7611	2.1795	1.0830	1.0890	1.0890
S3	1.6097	2.7611		2.3361	2.8413	3.4631	3.4631
H4	1.0825	2.1795	2.3361		3.0708	2.5134	2.5134
H5	2.1349	1.0830	2.8413	3.0708		1.7750	1.7750
H6	2.1210	1.0890	3.4631	2.5134	1.7750		1.7493
H7	2.1210	1.0890	3.4631	2.5134	1.7750	1.7493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.210	C1	C2	H6	109.724
C1	C2	H7	109.724	C2	C1	S3	125.949
C2	C1	H4	114.959	S3	C1	H4	119.091
H5	C2	H6	109.612	H5	C2	H7	109.612
H6	C2	H7	106.859

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCSD=FULL/cc-pV(T+d)Z

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-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)