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	hartrees
Energy at 0K	-477.534899
Energy at 298.15K
HF Energy	-476.799155
Nuclear repulsion energy	111.719158

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	3186	3186	7.85	93.30	0.68	0.81
2	A₁	3072	3072	27.32	308.56	0.00	0.00
3	A₁	1505	1505	0.42	12.99	0.75	0.86
4	A₁	1377	1377	0.37	0.22	0.64	0.78
5	A₁	1059	1059	9.93	3.24	0.31	0.47
6	A₁	731	731	2.50	15.21	0.13	0.23
7	A₁	266	266	0.03	2.39	0.64	0.78
8	A₂	3170	3170	0.00	14.18	0.75	0.86
9	A₂	1478	1478	0.00	17.09	0.75	0.86
10	A₂	964	964	0.00	2.42	0.75	0.86
11	A₂	184	184	0.00	0.16	0.75	0.86
12	B₁	3161	3161	20.77	107.72	0.75	0.86
13	B₁	1488	1488	15.18	0.47	0.75	0.86
14	B₁	1001	1001	4.81	1.35	0.75	0.86
15	B₁	196	196	0.94	0.19	0.75	0.86
16	B₂	3188	3188	1.78	44.22	0.75	0.86
17	B₂	3077	3077	22.96	1.00	0.75	0.86
18	B₂	1496	1496	15.48	0.09	0.75	0.86
19	B₂	1353	1353	4.10	0.83	0.75	0.86
20	B₂	920	920	0.23	1.24	0.75	0.86
21	B₂	784	784	0.00	6.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.663
C2	0.000	1.356	-0.514
C3	0.000	-1.356	-0.514
H4	0.000	2.280	0.055
H5	0.000	-2.280	0.055
H6	0.888	1.326	-1.138
H7	-0.888	1.326	-1.138
H8	-0.888	-1.326	-1.138
H9	0.888	-1.326	-1.138

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.7952	1.7952	2.3594	2.3594	2.4065	2.4065	2.4065	2.4065
C2	1.7952		2.7115	1.0848	3.6796	1.0859	1.0859	2.8933	2.8933
C3	1.7952	2.7115		3.6796	1.0848	2.8933	2.8933	1.0859	1.0859
H4	2.3594	1.0848	3.6796		4.5593	1.7664	1.7664	3.9004	3.9004
H5	2.3594	3.6796	1.0848	4.5593		3.9004	3.9004	1.7664	1.7664
H6	2.4065	1.0859	2.8933	1.7664	3.9004		1.7763	3.1923	2.6524
H7	2.4065	1.0859	2.8933	1.7664	3.9004	1.7763		2.6524	3.1923
H8	2.4065	2.8933	1.0859	3.9004	1.7664	3.1923	2.6524		1.7763
H9	2.4065	2.8933	1.0859	3.9004	1.7664	2.6524	3.1923	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.437	S1	C2	H6	110.870
S1	C2	H7	110.870	S1	C3	H5	107.437
S1	C3	H8	110.870	S1	C3	H9	110.870
C2	S1	C3	98.084	H4	C2	H6	108.928
H4	C2	H7	108.928	H5	C3	H8	108.928
H5	C3	H9	108.928	H6	C2	H7	109.740
H8	C3	H9	109.740

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

using model chemistry: MP2=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

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