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	hartrees
Energy at 0K	-478.022320
Energy at 298.15K
HF Energy	-478.022320
Nuclear repulsion energy	109.956087

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	3151	3027	12.71	100.74	0.67	0.80
2	A₁	3046	2927	32.07	242.28	0.00	0.00
3	A₁	1503	1444	0.02	29.63	0.75	0.86
4	A₁	1387	1333	3.00	5.03	0.20	0.33
5	A₁	1064	1022	18.57	7.86	0.57	0.73
6	A₁	686	659	3.20	16.23	0.17	0.29
7	A₁	262	251	0.06	2.33	0.60	0.75
8	A₂	3132	3009	0.00	15.59	0.75	0.86
9	A₂	1478	1420	0.00	40.87	0.75	0.86
10	A₂	962	924	0.00	7.63	0.75	0.86
11	A₂	185	177	0.00	0.10	0.75	0.86
12	B₁	3126	3003	34.41	118.39	0.75	0.86
13	B₁	1488	1430	15.00	0.00	0.75	0.86
14	B₁	999	960	7.84	6.59	0.75	0.86
15	B₁	182	175	1.10	0.01	0.75	0.86
16	B₂	3152	3028	4.01	55.08	0.75	0.86
17	B₂	3049	2929	27.36	0.70	0.75	0.86
18	B₂	1494	1435	19.11	0.08	0.75	0.86
19	B₂	1361	1308	7.10	6.84	0.75	0.86
20	B₂	921	885	0.25	3.51	0.75	0.86
21	B₂	738	709	0.10	8.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.663
C2	0.000	1.394	-0.515
C3	0.000	-1.394	-0.515
H4	0.000	2.313	0.076
H5	0.000	-2.313	0.076
H6	0.894	1.382	-1.145
H7	-0.894	1.382	-1.145
H8	-0.894	-1.382	-1.145
H9	0.894	-1.382	-1.145

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8253	1.8253	2.3859	2.3859	2.4443	2.4443	2.4443	2.4443
C2	1.8253		2.7889	1.0921	3.7540	1.0936	1.0936	2.9836	2.9836
C3	1.8253	2.7889		3.7540	1.0921	2.9836	2.9836	1.0936	1.0936
H4	2.3859	1.0921	3.7540		4.6253	1.7768	1.7768	3.9921	3.9921
H5	2.3859	3.7540	1.0921	4.6253		3.9921	3.9921	1.7768	1.7768
H6	2.4443	1.0936	2.9836	1.7768	3.9921		1.7881	3.2912	2.7631
H7	2.4443	1.0936	2.9836	1.7768	3.9921	1.7881		2.7631	3.2912
H8	2.4443	2.9836	1.0936	3.9921	1.7768	3.2912	2.7631		1.7881
H9	2.4443	2.9836	1.0936	3.9921	1.7768	2.7631	3.2912	1.7881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.034	S1	C2	H6	111.253
S1	C2	H7	111.253	S1	C3	H5	107.034
S1	C3	H8	111.253	S1	C3	H9	111.253
C2	S1	C3	99.630	H4	C2	H6	108.763
H4	C2	H7	108.763	H5	C3	H8	108.763
H5	C3	H9	108.763	H6	C2	H7	109.680
H8	C3	H9	109.680

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

using model chemistry: B3LYP/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	0.084
2	C	-0.455
3	C	-0.455
4	H	0.143
5	H	0.143
6	H	0.135
7	H	0.135
8	H	0.135
9	H	0.135

<r²>	77.053
(<r²>)^1/2	8.778

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

using model chemistry: B3LYP/6-31G**

States and conformations

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