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	hartrees
Energy at 0K	-477.469896
Energy at 298.15K
HF Energy	-476.803587
Nuclear repulsion energy	111.397676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3180	3180	8.16
2	A₁	3099	3099	28.82
3	A₁	1524	1524	0.79
4	A₁	1391	1391	0.30
5	A₁	1069	1069	9.63
6	A₁	728	728	2.10
7	A₁	268	268	0.03
8	A₂	3165	3165	0.00
9	A₂	1500	1500	0.00
10	A₂	972	972	0.00
11	A₂	173	173	0.00
12	B₁	3157	3157	19.34
13	B₁	1510	1510	13.97
14	B₁	1010	1010	3.75
15	B₁	188	188	0.72
16	B₂	3180	3180	3.02
17	B₂	3103	3103	22.67
18	B₂	1514	1514	14.15
19	B₂	1367	1367	3.66
20	B₂	928	928	0.20
21	B₂	782	782	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.665
C2	0.000	1.363	-0.516
C3	0.000	-1.363	-0.516
H4	0.000	2.286	0.052
H5	0.000	-2.286	0.052
H6	0.889	1.329	-1.138
H7	-0.889	1.329	-1.138
H8	-0.889	-1.329	-1.138
H9	0.889	-1.329	-1.138

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8029	1.8029	2.3667	2.3667	2.4089	2.4089	2.4089	2.4089
C2	1.8029		2.7255	1.0841	3.6928	1.0850	1.0850	2.9016	2.9016
C3	1.8029	2.7255		3.6928	1.0841	2.9016	2.9016	1.0850	1.0850
H4	2.3667	1.0841	3.6928		4.5722	1.7670	1.7670	3.9079	3.9079
H5	2.3667	3.6928	1.0841	4.5722		3.9079	3.9079	1.7670	1.7670
H6	2.4089	1.0850	2.9016	1.7670	3.9079		1.7771	3.1968	2.6573
H7	2.4089	1.0850	2.9016	1.7670	3.9079	1.7771		2.6573	3.1968
H8	2.4089	2.9016	1.0850	3.9079	1.7670	3.1968	2.6573		1.7771
H9	2.4089	2.9016	1.0850	3.9079	1.7670	2.6573	3.1968	1.7771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.496	S1	C2	H6	110.576
S1	C2	H7	110.576	S1	C3	H5	107.496
S1	C3	H8	110.576	S1	C3	H9	110.576
C2	S1	C3	98.200	H4	C2	H6	109.091
H4	C2	H7	109.091	H5	C3	H8	109.091
H5	C3	H9	109.091	H6	C2	H7	109.953
H8	C3	H9	109.953

All results from a given calculation for CH₃SCH₃ (Dimethyl sulfide)

using model chemistry: MP3=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 CH3SCH3 (Dimethyl sulfide)

using model chemistry: MP3=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SCH₃ (Dimethyl sulfide)