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	hartrees
Energy at 0K	-477.991740
Energy at 298.15K
HF Energy	-477.991740
Nuclear repulsion energy	109.607372

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	3087	3087	17.71	103.96	0.64	0.78
2	A₁	2970	2970	44.76	382.24	0.00	0.00
3	A₁	1425	1425	0.19	8.52	0.75	0.86
4	A₁	1306	1306	1.27	0.81	0.31	0.47
5	A₁	1015	1015	8.16	0.16	0.17	0.29
6	A₁	663	663	3.25	19.24	0.08	0.14
7	A₁	259	259	0.08	3.71	0.63	0.78
8	A₂	3061	3061	0.00	24.61	0.75	0.86
9	A₂	1403	1403	0.00	11.54	0.75	0.86
10	A₂	918	918	0.00	0.19	0.75	0.86
11	A₂	169	169	0.00	0.13	0.75	0.86
12	B₁	3053	3053	40.00	153.70	0.75	0.86
13	B₁	1414	1414	11.02	0.04	0.75	0.86
14	B₁	954	954	4.26	0.03	0.75	0.86
15	B₁	175	175	0.84	0.06	0.75	0.86
16	B₂	3089	3089	6.81	54.56	0.75	0.86
17	B₂	2972	2972	39.61	9.26	0.75	0.86
18	B₂	1417	1417	14.45	0.25	0.75	0.86
19	B₂	1280	1280	8.32	0.47	0.75	0.86
20	B₂	882	882	0.27	0.29	0.75	0.86
21	B₂	710	710	0.18	6.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.670
C2	0.000	1.391	-0.521
C3	0.000	-1.391	-0.521
H4	0.000	2.321	0.067
H5	0.000	-2.321	0.067
H6	0.902	1.365	-1.153
H7	-0.902	1.365	-1.153
H8	-0.902	-1.365	-1.153
H9	0.902	-1.365	-1.153

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8312	1.8312	2.3980	2.3980	2.4498	2.4498	2.4498	2.4498
C2	1.8312		2.7823	1.0998	3.7582	1.1019	1.1019	2.9682	2.9682
C3	1.8312	2.7823		3.7582	1.0998	2.9682	2.9682	1.1019	1.1019
H4	2.3980	1.0998	3.7582		4.6418	1.7932	1.7932	3.9860	3.9860
H5	2.3980	3.7582	1.0998	4.6418		3.9860	3.9860	1.7932	1.7932
H6	2.4498	1.1019	2.9682	1.7932	3.9860		1.8035	3.2721	2.7302
H7	2.4498	1.1019	2.9682	1.7932	3.9860	1.8035		2.7302	3.2721
H8	2.4498	2.9682	1.1019	3.9860	1.7932	3.2721	2.7302		1.8035
H9	2.4498	2.9682	1.1019	3.9860	1.7932	2.7302	3.2721	1.8035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.145	S1	C2	H6	110.818
S1	C2	H7	110.818	S1	C3	H5	107.145
S1	C3	H8	110.818	S1	C3	H9	110.818
C2	S1	C3	98.872	H4	C2	H6	109.070
H4	C2	H7	109.070	H5	C3	H8	109.070
H5	C3	H9	109.070	H6	C2	H7	109.852
H8	C3	H9	109.852

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

using model chemistry: B97D3/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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Number	Element	Mulliken
1	S	0.151
2	C	0.546
3	C	0.546
4	H	-0.265
5	H	-0.265
6	H	-0.178
7	H	-0.178
8	H	-0.178
9	H	-0.178

<r²>	77.533
(<r²>)^1/2	8.805

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

using model chemistry: B97D3/daug-cc-pVDZ

States and conformations

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