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	hartrees
Energy at 0K	-477.536643
Energy at 298.15K
HF Energy	-476.796050
Nuclear repulsion energy	111.783449

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	3195	3012	7.23	86.97	0.65	0.79
2	A₁	3079	2903	27.68	296.89	0.00	0.00
3	A₁	1513	1426	0.59	7.68	0.74	0.85
4	A₁	1386	1306	0.24	1.08	0.10	0.19
5	A₁	1064	1003	10.25	0.37	0.19	0.32
6	A₁	736	694	2.27	18.72	0.06	0.12
7	A₁	269	253	0.03	2.74	0.65	0.78
8	A₂	3177	2995	0.00	16.64	0.75	0.86
9	A₂	1488	1403	0.00	10.59	0.75	0.86
10	A₂	973	917	0.00	0.08	0.75	0.86
11	A₂	191	180	0.00	0.09	0.75	0.86
12	B₁	3168	2986	16.07	114.10	0.75	0.86
13	B₁	1498	1412	15.17	0.05	0.75	0.86
14	B₁	1007	949	4.45	0.00	0.75	0.86
15	B₁	202	190	0.75	0.04	0.75	0.86
16	B₂	3196	3013	1.32	41.46	0.75	0.86
17	B₂	3085	2908	24.07	2.85	0.75	0.86
18	B₂	1504	1418	15.73	0.09	0.75	0.86
19	B₂	1362	1284	3.30	0.05	0.75	0.86
20	B₂	927	874	0.36	0.22	0.75	0.86
21	B₂	791	746	0.00	7.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.661
C2	0.000	1.355	-0.512
C3	0.000	-1.355	-0.512
H4	0.000	2.281	0.056
H5	0.000	-2.281	0.056
H6	0.889	1.327	-1.137
H7	-0.889	1.327	-1.137
H8	-0.889	-1.327	-1.137
H9	0.889	-1.327	-1.137

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.7926	1.7926	2.3597	2.3597	2.4057	2.4057	2.4057	2.4057
C2	1.7926		2.7109	1.0858	3.6804	1.0872	1.0872	2.8947	2.8947
C3	1.7926	2.7109		3.6804	1.0858	2.8947	2.8947	1.0872	1.0872
H4	2.3597	1.0858	3.6804		4.5617	1.7674	1.7674	3.9031	3.9031
H5	2.3597	3.6804	1.0858	4.5617		3.9031	3.9031	1.7674	1.7674
H6	2.4057	1.0872	2.8947	1.7674	3.9031		1.7776	3.1951	2.6549
H7	2.4057	1.0872	2.8947	1.7674	3.9031	1.7776		2.6549	3.1951
H8	2.4057	2.8947	1.0872	3.9031	1.7674	3.1951	2.6549		1.7776
H9	2.4057	2.8947	1.0872	3.9031	1.7674	2.6549	3.1951	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.578	S1	C2	H6	110.919
S1	C2	H7	110.919	S1	C3	H5	107.578
S1	C3	H8	110.919	S1	C3	H9	110.919
C2	S1	C3	98.250	H4	C2	H6	108.843
H4	C2	H7	108.843	H5	C3	H8	108.843
H5	C3	H9	108.843	H6	C2	H7	109.670
H8	C3	H9	109.670

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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: MP2=FULL/6-311+G(3df,2p)

States and conformations

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