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	hartrees
Energy at 0K
Energy at 298.15K	-0.008321
HF Energy	-0.008321
Nuclear repulsion energy	55.897522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2777	2951	28.85
2	A₁	2685	2852	100.16
3	A₁	1282	1362	33.43
4	A₁	1248	1326	44.77
5	A₁	981	1042	60.33
6	A₁	742	789	2.30
7	A₁	257	273	0.37
8	A₂	2687	2854	0.00
9	A₂	1231	1308	0.00
10	A₂	901	957	0.00
11	A₂	88	94	0.00
12	B₁	2690	2857	152.84
13	B₁	1234	1311	113.64
14	B₁	919	976	73.83
15	B₁	109	116	0.68
16	B₂	2772	2945	105.37
17	B₂	2683	2850	72.46
18	B₂	1278	1358	60.48
19	B₂	1236	1313	62.81
20	B₂	881	936	0.00
21	B₂	776	825	5.78

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.637
C2	0.000	1.409	-0.492
C3	0.000	-1.409	-0.492
H4	0.000	2.324	0.117
H5	0.000	-2.324	0.117
H6	0.890	1.424	-1.129
H7	-0.890	1.424	-1.129
H8	-0.890	-1.424	-1.129
H9	0.890	-1.424	-1.129

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8059	1.8059	2.3811	2.3811	2.4366	2.4366	2.4366	2.4366
C2	1.8059		2.8188	1.0984	3.7823	1.0945	1.0945	3.0373	3.0373
C3	1.8059	2.8188		3.7823	1.0984	3.0373	3.0373	1.0945	1.0945
H4	2.3811	1.0984	3.7823		4.6473	1.7757	1.7757	4.0481	4.0481
H5	2.3811	3.7823	1.0984	4.6473		4.0481	4.0481	1.7757	1.7757
H6	2.4366	1.0945	3.0373	1.7757	4.0481		1.7807	3.3587	2.8478
H7	2.4366	1.0945	3.0373	1.7757	4.0481	1.7807		2.8478	3.3587
H8	2.4366	3.0373	1.0945	4.0481	1.7757	3.3587	2.8478		1.7807
H9	2.4366	3.0373	1.0945	4.0481	1.7757	2.8478	3.3587	1.7807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.641	S1	C2	H6	111.956
S1	C2	H7	111.956	S1	C3	H5	107.641
S1	C3	H8	111.956	S1	C3	H9	111.956
C2	S1	C3	102.605	H4	C2	H6	108.136
H4	C2	H7	108.136	H5	C3	H8	108.136
H5	C3	H9	108.136	H6	C2	H7	108.869
H8	C3	H9	108.869

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

using model chemistry: PM6

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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Number	Element	Mulliken
1	S	-0.024
2	C	-0.506
3	C	-0.506
4	H	0.180
5	H	0.180
6	H	0.169
7	H	0.169
8	H	0.169
9	H	0.169

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PM6

States and conformations

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