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	hartrees
Energy at 0K	-476.013277
Energy at 298.15K	-476.017090
HF Energy	-475.582905
Nuclear repulsion energy	92.162675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3181	5.88
2	A'	3113	3113	20.34
3	A'	3044	3044	5.67
4	A'	1471	1471	5.92
5	A'	1382	1382	54.02
6	A'	1370	1370	6.81
7	A'	1189	1189	16.68
8	A'	1081	1081	1.80
9	A'	840	840	3.31
10	A'	396	396	1.31
11	A"	3123	3123	6.05
12	A"	1460	1460	8.00
13	A"	1034	1034	6.85
14	A"	756	756	14.21
15	A"	174	174	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.631	0.000
C2	-1.499	0.713	0.000
S3	0.881	-0.746	0.000
H4	0.527	1.599	0.000
H5	-1.955	-0.285	0.000
H6	-1.838	1.279	0.886
H7	-1.838	1.279	-0.886

	C1	C2	S3	H4	H5	H6	H7
C1		1.5017	1.6352	1.1020	2.1595	2.1407	2.1407
C2	1.5017		2.7926	2.2115	1.0980	1.1039	1.1039
S3	1.6352	2.7926		2.3717	2.8739	3.5043	3.5043
H4	1.1020	2.2115	2.3717		3.1166	2.5458	2.5458
H5	2.1595	1.0980	2.8739	3.1166		1.8013	1.8013
H6	2.1407	1.1039	3.5043	2.5458	1.8013		1.7712
H7	2.1407	1.1039	3.5043	2.5458	1.8013	1.7712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.391	C1	C2	H6	109.540
C1	C2	H7	109.540	C2	C1	S3	125.757
C2	C1	H4	115.431	S3	C1	H4	118.811
H5	C2	H6	109.782	H5	C2	H7	109.782
H6	C2	H7	106.692

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2/daug-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: MP2/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)