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	hartrees
Energy at 0K	-476.133817
Energy at 298.15K	-476.137640
HF Energy	-475.616242
Nuclear repulsion energy	93.006887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3034	3.98
2	A'	3108	2962	17.21
3	A'	3055	2911	3.74
4	A'	1498	1428	6.80
5	A'	1398	1332	19.93
6	A'	1385	1320	41.05
7	A'	1190	1134	18.79
8	A'	1091	1040	2.16
9	A'	844	805	3.20
10	A'	394	375	1.32
11	A"	3127	2980	3.90
12	A"	1492	1422	8.32
13	A"	1051	1001	5.76
14	A"	764	728	14.62
15	A"	176	168	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.625	0.000
C2	-1.489	0.703	0.000
S3	0.876	-0.737	0.000
H4	0.517	1.586	0.000
H5	-1.936	-0.288	0.000
H6	-1.828	1.260	0.876
H7	-1.828	1.260	-0.876

	C1	C2	S3	H4	H5	H6	H7
C1		1.4912	1.6192	1.0906	2.1403	2.1242	2.1242
C2	1.4912		2.7683	2.1919	1.0867	1.0925	1.0925
S3	1.6192	2.7683		2.3498	2.8467	3.4733	3.4733
H4	1.0906	2.1919	2.3498		3.0864	2.5245	2.5245
H5	2.1403	1.0867	2.8467	3.0864		1.7822	1.7822
H6	2.1242	1.0925	3.4733	2.5245	1.7822		1.7528
H7	2.1242	1.0925	3.4733	2.5245	1.7822	1.7528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.283	C1	C2	H6	109.641
C1	C2	H7	109.641	C2	C1	S3	125.704
C2	C1	H4	115.331	S3	C1	H4	118.965
H5	C2	H6	109.740	H5	C2	H7	109.740
H6	C2	H7	106.688

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2/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: MP2/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)