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	hartrees
Energy at 0K	-477.970576
Energy at 298.15K
HF Energy	-477.970576
Nuclear repulsion energy	110.879861

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	3177	3177	8.69	105.79	0.67	0.80
2	A₁	3074	3074	35.13	251.75	0.00	0.00
3	A₁	1511	1511	0.47	20.11	0.74	0.85
4	A₁	1402	1402	1.46	0.93	0.73	0.85
5	A₁	1073	1073	23.05	4.40	0.53	0.69
6	A₁	716	716	3.96	18.62	0.16	0.27
7	A₁	271	271	0.03	2.82	0.63	0.78
8	A₂	3159	3159	0.00	13.89	0.75	0.86
9	A₂	1487	1487	0.00	26.94	0.75	0.86
10	A₂	974	974	0.00	5.87	0.75	0.86
11	A₂	185	185	0.00	0.17	0.75	0.86
12	B₁	3152	3152	28.22	123.79	0.75	0.86
13	B₁	1499	1499	22.18	0.04	0.75	0.86
14	B₁	1014	1014	17.73	2.84	0.75	0.86
15	B₁	198	198	1.10	0.15	0.75	0.86
16	B₂	3178	3178	3.72	48.37	0.75	0.86
17	B₂	3077	3077	25.75	0.92	0.75	0.86
18	B₂	1501	1501	20.32	0.00	0.75	0.86
19	B₂	1373	1373	2.48	3.85	0.75	0.86
20	B₂	932	932	0.20	2.14	0.75	0.86
21	B₂	766	766	0.06	10.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.668
C2	0.000	1.368	-0.518
C3	0.000	-1.368	-0.518
H4	0.000	2.296	0.052
H5	0.000	-2.296	0.052
H6	0.892	1.342	-1.145
H7	-0.892	1.342	-1.145
H8	-0.892	-1.342	-1.145
H9	0.892	-1.342	-1.145

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8103	1.8103	2.3769	2.3769	2.4251	2.4251	2.4251	2.4251
C2	1.8103		2.7360	1.0890	3.7079	1.0905	1.0905	2.9207	2.9207
C3	1.8103	2.7360		3.7079	1.0890	2.9207	2.9207	1.0905	1.0905
H4	2.3769	1.0890	3.7079		4.5916	1.7718	1.7718	3.9318	3.9318
H5	2.3769	3.7079	1.0890	4.5916		3.9318	3.9318	1.7718	1.7718
H6	2.4251	1.0905	2.9207	1.7718	3.9318		1.7836	3.2219	2.6831
H7	2.4251	1.0905	2.9207	1.7718	3.9318	1.7836		2.6831	3.2219
H8	2.4251	2.9207	1.0905	3.9318	1.7718	3.2219	2.6831		1.7836
H9	2.4251	2.9207	1.0905	3.9318	1.7718	2.6831	3.2219	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.510	S1	C2	H6	110.994
S1	C2	H7	110.994	S1	C3	H5	107.510
S1	C3	H8	110.994	S1	C3	H9	110.994
C2	S1	C3	98.169	H4	C2	H6	108.768
H4	C2	H7	108.768	H5	C3	H8	108.768
H5	C3	H9	108.768	H6	C2	H7	109.728
H8	C3	H9	109.728

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

using model chemistry: M06-2X/6-311G*

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	0.135
2	C	-0.826
3	C	-0.826
4	H	0.259
5	H	0.259
6	H	0.250
7	H	0.250
8	H	0.250
9	H	0.250

<r²>	76.144
(<r²>)^1/2	8.726

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

using model chemistry: M06-2X/6-311G*

States and conformations

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