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	hartrees
Energy at 0K	-477.928736
Energy at 298.15K
HF Energy	-477.928736
Nuclear repulsion energy	110.764744

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	3188	3030	8.53	109.95	0.67	0.80
2	A₁	3078	2925	27.77	242.82	0.00	0.00
3	A₁	1505	1431	0.06	30.82	0.75	0.86
4	A₁	1390	1321	1.46	3.89	0.22	0.36
5	A₁	1067	1014	17.38	8.14	0.57	0.73
6	A₁	721	685	3.47	18.13	0.17	0.29
7	A₁	270	256	0.03	2.10	0.62	0.76
8	A₂	3170	3013	0.00	13.26	0.75	0.86
9	A₂	1480	1407	0.00	42.19	0.75	0.86
10	A₂	967	919	0.00	6.90	0.75	0.86
11	A₂	184	175	0.00	0.11	0.75	0.86
12	B₁	3163	3006	27.27	120.37	0.75	0.86
13	B₁	1491	1417	17.74	0.00	0.75	0.86
14	B₁	1003	954	7.37	6.40	0.75	0.86
15	B₁	194	184	1.06	0.02	0.75	0.86
16	B₂	3189	3031	3.00	52.61	0.75	0.86
17	B₂	3082	2929	21.90	0.13	0.75	0.86
18	B₂	1496	1422	18.82	0.00	0.75	0.86
19	B₂	1362	1295	4.68	6.78	0.75	0.86
20	B₂	926	880	0.35	2.82	0.75	0.86
21	B₂	773	734	0.07	9.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.667
C2	0.000	1.371	-0.517
C3	0.000	-1.371	-0.517
H4	0.000	2.299	0.056
H5	0.000	-2.299	0.056
H6	0.893	1.345	-1.146
H7	-0.893	1.345	-1.146
H8	-0.893	-1.345	-1.146
H9	0.893	-1.345	-1.146

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8114	1.8114	2.3785	2.3785	2.4273	2.4273	2.4273	2.4273
C2	1.8114		2.7419	1.0907	3.7143	1.0924	1.0924	2.9273	2.9273
C3	1.8114	2.7419		3.7143	1.0907	2.9273	2.9273	1.0924	1.0924
H4	2.3785	1.0907	3.7143		4.5976	1.7754	1.7754	3.9395	3.9395
H5	2.3785	3.7143	1.0907	4.5976		3.9395	3.9395	1.7754	1.7754
H6	2.4273	1.0924	2.9273	1.7754	3.9395		1.7860	3.2289	2.6900
H7	2.4273	1.0924	2.9273	1.7754	3.9395	1.7860		2.6900	3.2289
H8	2.4273	2.9273	1.0924	3.9395	1.7754	3.2289	2.6900		1.7860
H9	2.4273	2.9273	1.0924	3.9395	1.7754	2.6900	3.2289	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.473	S1	C2	H6	110.985
S1	C2	H7	110.985	S1	C3	H5	107.473
S1	C3	H8	110.985	S1	C3	H9	110.985
C2	S1	C3	98.375	H4	C2	H6	108.830
H4	C2	H7	108.830	H5	C3	H8	108.830
H5	C3	H9	108.830	H6	C2	H7	109.664
H8	C3	H9	109.664

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

using model chemistry: M06-2X/6-31G**

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	0.101
2	C	-0.514
3	C	-0.514
4	H	0.162
5	H	0.162
6	H	0.151
7	H	0.151
8	H	0.151
9	H	0.151

<r²>	75.916
(<r²>)^1/2	8.713

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

using model chemistry: M06-2X/6-31G**

States and conformations

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