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	hartrees
Energy at 0K	-471.615052
Energy at 298.15K
HF Energy	-471.480505
Nuclear repulsion energy	110.107662

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	3539	3086	2.76	42.09	0.70	0.82
2	A₁	3345	2917	3.93	69.93	0.01	0.01
3	A₁	1743	1520	0.03	27.74	0.74	0.85
4	A₁	1610	1403	0.97	3.21	0.68	0.81
5	A₁	1171	1021	11.04	6.67	0.63	0.77
6	A₁	858	748	0.24	14.42	0.17	0.29
7	A₁	317	277	0.22	1.05	0.57	0.72
8	A₂	3515	3065	0.00	4.40	0.75	0.86
9	A₂	1726	1505	0.00	35.08	0.75	0.86
10	A₂	1084	945	0.00	4.48	0.75	0.86
11	A₂	181	158	0.00	0.07	0.75	0.86
12	B₁	3513	3063	13.63	42.74	0.75	0.86
13	B₁	1726	1505	4.56	0.50	0.75	0.86
14	B₁	1112	969	0.22	4.15	0.75	0.86
15	B₁	182	158	0.47	0.00	0.75	0.86
16	B₂	3538	3085	0.24	20.83	0.75	0.86
17	B₂	3347	2919	5.00	0.60	0.75	0.86
18	B₂	1741	1518	6.09	0.11	0.75	0.86
19	B₂	1585	1382	17.66	5.00	0.75	0.86
20	B₂	1047	913	0.01	1.00	0.75	0.86
21	B₂	912	795	0.20	8.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.681
C2	0.000	1.363	-0.522
C3	0.000	-1.363	-0.522
H4	0.000	2.319	0.028
H5	0.000	-2.319	0.028
H6	0.893	1.345	-1.173
H7	-0.893	1.345	-1.173
H8	-0.893	-1.345	-1.173
H9	0.893	-1.345	-1.173

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8182	1.8182	2.4098	2.4098	2.4591	2.4591	2.4591	2.4591
C2	1.8182		2.7257	1.1033	3.7230	1.1056	1.1056	2.9248	2.9248
C3	1.8182	2.7257		3.7230	1.1033	2.9248	2.9248	1.1056	1.1056
H4	2.4098	1.1033	3.7230		4.6388	1.7860	1.7860	3.9582	3.9582
H5	2.4098	3.7230	1.1033	4.6388		3.9582	3.9582	1.7860	1.7860
H6	2.4591	1.1056	2.9248	1.7860	3.9582		1.7866	3.2292	2.6899
H7	2.4591	1.1056	2.9248	1.7860	3.9582	1.7866		2.6899	3.2292
H8	2.4591	2.9248	1.1056	3.9582	1.7860	3.2292	2.6899		1.7866
H9	2.4591	2.9248	1.1056	3.9582	1.7860	2.6899	3.2292	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	108.665	S1	C2	H6	112.194
S1	C2	H7	112.194	S1	C3	H5	108.665
S1	C3	H8	112.194	S1	C3	H9	112.194
C2	S1	C3	97.103	H4	C2	H6	107.909
H4	C2	H7	107.909	H5	C3	H8	107.909
H5	C3	H9	107.909	H6	C2	H7	107.799
H8	C3	H9	107.799

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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