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	hartrees
Energy at 0K	-627.177784
Energy at 298.15K	-627.185897
HF Energy	-626.389506
Nuclear repulsion energy	272.975961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3043	0.44
2	A₁	3111	2944	1.10
3	A₁	1511	1430	3.47
4	A₁	1431	1355	20.34
5	A₁	1189	1126	181.27
6	A₁	1061	1004	0.00
7	A₁	726	687	9.85
8	A₁	501	474	31.10
9	A₁	279	264	2.54
10	A₂	3218	3046	0.00
11	A₂	1500	1420	0.00
12	A₂	992	939	0.00
13	A₂	298	282	0.00
14	A₂	198	187	0.00
15	B₁	3222	3049	2.29
16	B₁	1516	1435	12.59
17	B₁	1384	1310	251.33
18	B₁	1052	995	0.79
19	B₁	372	352	1.29
20	B₁	228	216	0.52
21	B₂	3213	3042	0.48
22	B₂	3108	2942	0.07
23	B₂	1502	1422	7.49
24	B₂	1414	1338	19.87
25	B₂	1007	953	71.54
26	B₂	800	757	44.16
27	B₂	465	440	45.45

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.059
O2	-1.356	0.000	0.971
O3	1.356	0.000	0.971
C4	0.000	1.287	-0.848
C5	0.000	-1.287	-0.848
H6	0.000	2.132	-0.241
H7	0.000	-2.132	-0.241
H8	0.854	1.294	-1.455
H9	-0.854	1.294	-1.455
H10	-0.854	-1.294	-1.455
H11	0.854	-1.294	-1.455

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6343	1.6343	1.5749	1.5749	2.1534	2.1534	2.1672	2.1672	2.1672	2.1672
O2	1.6343		2.7125	2.6088	2.6088	2.8028	2.8028	3.5278	2.7951	2.7951	3.5278
O3	1.6343	2.7125		2.6088	2.6088	2.8028	2.8028	2.7951	3.5278	3.5278	2.7951
C4	1.5749	2.6088	2.6088		2.5745	1.0403	3.4730	1.0476	1.0476	2.7860	2.7860
C5	1.5749	2.6088	2.6088	2.5745		3.4730	1.0403	2.7860	2.7860	1.0476	1.0476
H6	2.1534	2.8028	2.8028	1.0403	3.4730		4.2646	1.7042	1.7042	3.7341	3.7341
H7	2.1534	2.8028	2.8028	3.4730	1.0403	4.2646		3.7341	3.7341	1.7042	1.7042
H8	2.1672	3.5278	2.7951	1.0476	2.7860	1.7042	3.7341		1.7080	3.1012	2.5885
H9	2.1672	2.7951	3.5278	1.0476	2.7860	1.7042	3.7341	1.7080		2.5885	3.1012
H10	2.1672	2.7951	3.5278	2.7860	1.0476	3.7341	1.7042	3.1012	2.5885		1.7080
H11	2.1672	3.5278	2.7951	2.7860	1.0476	3.7341	1.7042	2.5885	3.1012	1.7080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	109.142	S1	C4	H8	109.825
S1	C4	H9	109.825	S1	C5	H7	109.142
S1	C5	H10	109.825	S1	C5	H11	109.825
O2	S1	O3	112.174	O2	S1	C4	108.750
O2	S1	C5	108.750	O3	S1	C4	108.750
O3	S1	C5	108.750	C4	S1	C5	109.643
H6	C4	H8	109.412	H6	C4	H9	109.412
H7	C5	H10	109.412	H7	C5	H11	109.412
H8	C4	H9	109.210	H10	C5	H11	109.210

All results from a given calculation for C₂H₆O₂S (Dimethyl sulfone)

using model chemistry: CCD/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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All results from a given calculation for C2H6O2S (Dimethyl sulfone)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for C₂H₆O₂S (Dimethyl sulfone)