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	hartrees
Energy at 0K	-475.965391
Energy at 298.15K	-475.969258
HF Energy	-475.576775
Nuclear repulsion energy	92.703212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3004	7.73
2	A'	3191	2949	19.60
3	A'	3118	2881	8.02
4	A'	1520	1405	7.16
5	A'	1448	1338	49.90
6	A'	1423	1315	15.62
7	A'	1223	1130	23.65
8	A'	1118	1033	3.40
9	A'	872	806	1.07
10	A'	407	376	2.06
11	A"	3189	2947	9.75
12	A"	1507	1393	8.83
13	A"	1082	1000	4.19
14	A"	794	733	12.42
15	A"	177	164	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.621	0.000
C2	-1.498	0.700	0.000
S3	0.882	-0.734	0.000
H4	0.510	1.594	0.000
H5	-1.951	-0.297	0.000
H6	-1.840	1.261	0.884
H7	-1.840	1.261	-0.884

	C1	C2	S3	H4	H5	H6	H7
C1		1.5003	1.6174	1.0987	2.1564	2.1389	2.1389
C2	1.5003		2.7792	2.1984	1.0952	1.1011	1.1011
S3	1.6174	2.7792		2.3583	2.8668	3.4887	3.4887
H4	1.0987	2.1984	2.3583		3.1040	2.5326	2.5326
H5	2.1564	1.0952	2.8668	3.1040		1.7947	1.7947
H6	2.1389	1.1011	3.4887	2.5326	1.7947		1.7677
H7	2.1389	1.1011	3.4887	2.5326	1.7947	1.7677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.413	C1	C2	H6	109.665
C1	C2	H7	109.665	C2	C1	S3	126.065
C2	C1	H4	114.647	S3	C1	H4	119.288
H5	C2	H6	109.603	H5	C2	H7	109.603
H6	C2	H7	106.781

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CID/cc-pVDZ

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: CID/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)