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	hartrees
Energy at 0K	-476.000367
Energy at 298.15K	-476.004190
HF Energy	-475.557840
Nuclear repulsion energy	92.585523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3036	11.33
2	A'	3171	2985	20.49
3	A'	3097	2916	8.69
4	A'	1539	1449	2.93
5	A'	1457	1372	22.55
6	A'	1434	1350	38.26
7	A'	1196	1126	24.25
8	A'	1115	1050	4.53
9	A'	849	799	0.28
10	A'	403	379	1.43
11	A"	3166	2980	12.73
12	A"	1533	1443	7.36
13	A"	1079	1016	3.86
14	A"	781	735	12.87
15	A"	166	156	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.626	0.000
C2	-1.497	0.712	0.000
S3	0.881	-0.742	0.000
H4	0.513	1.587	0.000
H5	-1.949	-0.277	0.000
H6	-1.836	1.267	0.879
H7	-1.836	1.267	-0.879

	C1	C2	S3	H4	H5	H6	H7
C1		1.5000	1.6265	1.0895	2.1482	2.1338	2.1338
C2	1.5000		2.7875	2.1922	1.0874	1.0929	1.0929
S3	1.6265	2.7875		2.3576	2.8682	3.4909	3.4909
H4	1.0895	2.1922	2.3576		3.0880	2.5276	2.5276
H5	2.1482	1.0874	2.8682	3.0880		1.7802	1.7802
H6	2.1338	1.0929	3.4909	2.5276	1.7802		1.7573
H7	2.1338	1.0929	3.4909	2.5276	1.7802	1.7573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.254	C1	C2	H6	109.767
C1	C2	H7	109.767	C2	C1	S3	126.096
C2	C1	H4	114.761	S3	C1	H4	119.143
H5	C2	H6	109.468	H5	C2	H7	109.468
H6	C2	H7	107.020

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: QCISD/6-31G**

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: QCISD/6-31G**

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)