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	hartrees
Energy at 0K	-477.799622
Energy at 298.15K
HF Energy	-477.799622
Nuclear repulsion energy	110.873063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3158	3030	10.60	105.77	0.67	0.80
2	A₁	3049	2926	37.51	293.00	0.00	0.00
3	A₁	1482	1422	0.45	19.52	0.74	0.85
4	A₁	1374	1319	1.79	1.84	0.44	0.61
5	A₁	1062	1018	21.77	3.61	0.46	0.63
6	A₁	714	685	3.77	14.16	0.17	0.29
7	A₁	264	253	0.04	2.90	0.62	0.77
8	A₂	3139	3011	0.00	17.46	0.75	0.86
9	A₂	1457	1398	0.00	27.26	0.75	0.86
10	A₂	958	919	0.00	5.72	0.75	0.86
11	A₂	183	175	0.00	0.17	0.75	0.86
12	B₁	3131	3004	31.58	132.50	0.75	0.86
13	B₁	1466	1407	20.80	0.02	0.75	0.86
14	B₁	1001	961	16.19	2.48	0.75	0.86
15	B₁	185	178	1.19	0.17	0.75	0.86
16	B₂	3159	3031	2.50	55.24	0.75	0.86
17	B₂	3053	2929	27.59	2.21	0.75	0.86
18	B₂	1472	1412	20.70	0.06	0.75	0.86
19	B₂	1348	1293	2.24	4.75	0.75	0.86
20	B₂	917	880	0.20	2.69	0.75	0.86
21	B₂	767	736	0.00	7.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.657
C2	0.000	1.378	-0.510
C3	0.000	-1.378	-0.510
H4	0.000	2.297	0.079
H5	0.000	-2.297	0.079
H6	0.894	1.366	-1.138
H7	-0.894	1.366	-1.138
H8	-0.894	-1.366	-1.138
H9	0.894	-1.366	-1.138

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8061	1.8061	2.3681	2.3681	2.4262	2.4262	2.4262	2.4262
C2	1.8061		2.7566	1.0911	3.7218	1.0926	1.0926	2.9535	2.9535
C3	1.8061	2.7566		3.7218	1.0911	2.9535	2.9535	1.0926	1.0926
H4	2.3681	1.0911	3.7218		4.5930	1.7741	1.7741	3.9615	3.9615
H5	2.3681	3.7218	1.0911	4.5930		3.9615	3.9615	1.7741	1.7741
H6	2.4262	1.0926	2.9535	1.7741	3.9615		1.7883	3.2648	2.7315
H7	2.4262	1.0926	2.9535	1.7741	3.9615	1.7883		2.7315	3.2648
H8	2.4262	2.9535	1.0926	3.9615	1.7741	3.2648	2.7315		1.7883
H9	2.4262	2.9535	1.0926	3.9615	1.7741	2.7315	3.2648	1.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.044	S1	C2	H6	111.254
S1	C2	H7	111.254	S1	C3	H5	107.044
S1	C3	H8	111.254	S1	C3	H9	111.254
C2	S1	C3	99.486	H4	C2	H6	108.667
H4	C2	H7	108.667	H5	C3	H8	108.667
H5	C3	H9	108.667	H6	C2	H7	109.847
H8	C3	H9	109.847

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

using model chemistry: PBE1PBE/6-311G**

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	0.059
2	C	-0.501
3	C	-0.501
4	H	0.163
5	H	0.163
6	H	0.155
7	H	0.155
8	H	0.155
9	H	0.155

<r²>	76.234
(<r²>)^1/2	8.731

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

using model chemistry: PBE1PBE/6-311G**

States and conformations

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