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	hartrees
Energy at 0K	-476.656308
Energy at 298.15K	-476.660128
HF Energy	-476.462379
Nuclear repulsion energy	93.008578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3028	6.57
2	A'	3100	2974	19.31
3	A'	3037	2914	4.27
4	A'	1494	1433	6.14
5	A'	1401	1344	12.76
6	A'	1387	1331	59.51
7	A'	1171	1123	37.04
8	A'	1091	1046	6.85
9	A'	836	802	0.92
10	A'	395	379	1.83
11	A"	3086	2961	5.39
12	A"	1487	1427	8.41
13	A"	1055	1013	4.95
14	A"	773	742	13.33
15	A"	174	167	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.622	0.000
C2	-1.485	0.713	0.000
S3	0.874	-0.742	0.000
H4	0.518	1.579	0.000
H5	-1.946	-0.270	0.000
H6	-1.819	1.276	0.874
H7	-1.819	1.276	-0.874

	C1	C2	S3	H4	H5	H6	H7
C1		1.4879	1.6202	1.0876	2.1406	2.1214	2.1214
C2	1.4879		2.7714	2.1823	1.0853	1.0921	1.0921
S3	1.6202	2.7714		2.3478	2.8588	3.4765	3.4765
H4	1.0876	2.1823	2.3478		3.0802	2.5138	2.5138
H5	2.1406	1.0853	2.8588	3.0802		1.7799	1.7799
H6	2.1214	1.0921	3.4765	2.5138	1.7799		1.7488
H7	2.1214	1.0921	3.4765	2.5138	1.7799	1.7488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.633	C1	C2	H6	109.671
C1	C2	H7	109.671	C2	C1	S3	126.119
C2	C1	H4	114.958	S3	C1	H4	118.923
H5	C2	H6	109.666	H5	C2	H7	109.666
H6	C2	H7	106.395

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: B2PLYP=FULL/aug-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: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)