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	hartrees
Energy at 0K	-477.975515
Energy at 298.15K
HF Energy	-477.975515
Nuclear repulsion energy	110.633881

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	3180	3180	10.31	103.46	0.67	0.80
2	A₁	3064	3064	31.39	235.58	0.00	0.00
3	A₁	1507	1507	0.25	29.61	0.75	0.86
4	A₁	1401	1401	1.23	3.48	0.22	0.35
5	A₁	1074	1074	18.60	7.67	0.56	0.72
6	A₁	716	716	3.36	17.45	0.17	0.29
7	A₁	274	274	0.04	2.09	0.62	0.77
8	A₂	3158	3158	0.00	13.50	0.75	0.86
9	A₂	1484	1484	0.00	40.65	0.75	0.86
10	A₂	975	975	0.00	6.81	0.75	0.86
11	A₂	183	183	0.00	0.09	0.75	0.86
12	B₁	3151	3151	30.78	119.20	0.75	0.86
13	B₁	1495	1495	19.33	0.00	0.75	0.86
14	B₁	1012	1012	7.68	5.95	0.75	0.86
15	B₁	191	191	1.10	0.02	0.75	0.86
16	B₂	3181	3181	3.96	52.73	0.75	0.86
17	B₂	3067	3067	26.29	0.29	0.75	0.86
18	B₂	1498	1498	20.15	0.01	0.75	0.86
19	B₂	1376	1376	2.63	5.95	0.75	0.86
20	B₂	933	933	0.34	2.88	0.75	0.86
21	B₂	769	769	0.04	9.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.663
C2	0.000	1.378	-0.514
C3	0.000	-1.378	-0.514
H4	0.000	2.303	0.067
H5	0.000	-2.303	0.067
H6	0.893	1.359	-1.143
H7	-0.893	1.359	-1.143
H8	-0.893	-1.359	-1.143
H9	0.893	-1.359	-1.143

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8120	1.8120	2.3784	2.3784	2.4305	2.4305	2.4305	2.4305
C2	1.8120		2.7568	1.0914	3.7265	1.0932	1.0932	2.9479	2.9479
C3	1.8120	2.7568		3.7265	1.0914	2.9479	2.9479	1.0932	1.0932
H4	2.3784	1.0914	3.7265		4.6053	1.7755	1.7755	3.9590	3.9590
H5	2.3784	3.7265	1.0914	4.6053		3.9590	3.9590	1.7755	1.7755
H6	2.4305	1.0932	2.9479	1.7755	3.9590		1.7866	3.2533	2.7189
H7	2.4305	1.0932	2.9479	1.7755	3.9590	1.7866		2.7189	3.2533
H8	2.4305	2.9479	1.0932	3.9590	1.7755	3.2533	2.7189		1.7866
H9	2.4305	2.9479	1.0932	3.9590	1.7755	2.7189	3.2533	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.395	S1	C2	H6	111.149
S1	C2	H7	111.149	S1	C3	H5	107.395
S1	C3	H8	111.149	S1	C3	H9	111.149
C2	S1	C3	99.053	H4	C2	H6	108.730
H4	C2	H7	108.730	H5	C3	H8	108.730
H5	C3	H9	108.730	H6	C2	H7	109.603
H8	C3	H9	109.603

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

using model chemistry: wB97X-D/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	0.093
2	C	-0.516
3	C	-0.516
4	H	0.164
5	H	0.164
6	H	0.153
7	H	0.153
8	H	0.153
9	H	0.153

<r²>	76.071
(<r²>)^1/2	8.722

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

using model chemistry: wB97X-D/6-31G**

States and conformations

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