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	hartrees
Energy at 0K	-477.708249
Energy at 298.15K
HF Energy	-477.708249
Nuclear repulsion energy	109.815622

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	3094	3052	10.44	101.96	0.66	0.79
2	A₁	2980	2939	32.20	262.53	0.00	0.00
3	A₁	1452	1432	0.01	30.54	0.75	0.86
4	A₁	1337	1319	2.13	7.82	0.20	0.33
5	A₁	1031	1017	19.70	7.73	0.58	0.74
6	A₁	681	672	3.24	12.19	0.18	0.31
7	A₁	255	251	0.09	2.45	0.60	0.75
8	A₂	3070	3028	0.00	17.45	0.75	0.86
9	A₂	1427	1407	0.00	42.49	0.75	0.86
10	A₂	931	918	0.00	8.04	0.75	0.86
11	A₂	185	182	0.00	0.12	0.75	0.86
12	B₁	3062	3020	30.75	122.69	0.75	0.86
13	B₁	1437	1417	16.99	0.00	0.75	0.86
14	B₁	970	957	10.03	7.11	0.75	0.86
15	B₁	181	178	1.25	0.01	0.75	0.86
16	B₂	3095	3052	2.28	56.05	0.75	0.86
17	B₂	2983	2942	25.82	2.21	0.75	0.86
18	B₂	1443	1423	22.02	0.18	0.75	0.86
19	B₂	1311	1293	4.32	10.09	0.75	0.86
20	B₂	891	879	0.49	4.25	0.75	0.86
21	B₂	730	720	0.00	6.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.665
C2	0.000	1.391	-0.516
C3	0.000	-1.391	-0.516
H4	0.000	2.317	0.078
H5	0.000	-2.317	0.078
H6	0.901	1.379	-1.150
H7	-0.901	1.379	-1.150
H8	-0.901	-1.379	-1.150
H9	0.901	-1.379	-1.150

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8243	1.8243	2.3900	2.3900	2.4509	2.4509	2.4509	2.4509
C2	1.8243		2.7821	1.1000	3.7552	1.1019	1.1019	2.9813	2.9813
C3	1.8243	2.7821		3.7552	1.1000	2.9813	2.9813	1.1019	1.1019
H4	2.3900	1.1000	3.7552		4.6339	1.7888	1.7888	3.9977	3.9977
H5	2.3900	3.7552	1.1000	4.6339		3.9977	3.9977	1.7888	1.7888
H6	2.4509	1.1019	2.9813	1.7888	3.9977		1.8013	3.2945	2.7584
H7	2.4509	1.1019	2.9813	1.7888	3.9977	1.8013		2.7584	3.2945
H8	2.4509	2.9813	1.1019	3.9977	1.7888	3.2945	2.7584		1.8013
H9	2.4509	2.9813	1.1019	3.9977	1.7888	2.7584	3.2945	1.8013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.012	S1	C2	H6	111.372
S1	C2	H7	111.372	S1	C3	H5	107.012
S1	C3	H8	111.372	S1	C3	H9	111.372
C2	S1	C3	99.375	H4	C2	H6	108.663
H4	C2	H7	108.663	H5	C3	H8	108.663
H5	C3	H9	108.663	H6	C2	H7	109.652
H8	C3	H9	109.652

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

using model chemistry: PBEPBE/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	0.092
2	C	-0.511
3	C	-0.511
4	H	0.161
5	H	0.161
6	H	0.152
7	H	0.152
8	H	0.152
9	H	0.152

<r²>	77.058
(<r²>)^1/2	8.778

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

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

States and conformations

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