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	hartrees
Energy at 0K	-623.880476
Energy at 298.15K
HF Energy	-623.300970
Nuclear repulsion energy	273.205516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3146	3009	1.93
2	A₁	3064	2931	1.30
3	A₁	1547	1480	3.92
4	A₁	1466	1402	20.85
5	A₁	1208	1155	177.27
6	A₁	1075	1028	0.05
7	A₁	715	683	17.59
8	A₁	517	494	27.63
9	A₁	303	290	2.15
10	A₂	3150	3013	0.00
11	A₂	1532	1466	0.00
12	A₂	1007	963	0.00
13	A₂	296	283	0.00
14	A₂	201	193	0.00
15	B₁	3155	3018	5.53
16	B₁	1548	1480	14.41
17	B₁	1428	1366	205.94
18	B₁	1069	1022	2.27
19	B₁	376	360	1.84
20	B₁	230	220	0.56
21	B₂	3144	3008	0.03
22	B₂	3062	2929	0.02
23	B₂	1538	1471	9.53
24	B₂	1452	1389	29.29
25	B₂	1016	972	67.99
26	B₂	785	750	73.15
27	B₂	457	438	38.70

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.199
O2	-1.264	0.000	0.924
O3	1.264	0.000	0.924
C4	0.000	1.382	-0.926
C5	0.000	-1.382	-0.926
H6	0.000	2.297	-0.321
H7	0.000	-2.297	-0.321
H8	0.900	1.363	-1.551
H9	-0.900	1.363	-1.551
H10	-0.900	-1.363	-1.551
H11	0.900	-1.363	-1.551

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4576	1.4576	1.7822	1.7822	2.3555	2.3555	2.3933	2.3933	2.3933	2.3933
O2	1.4576		2.5284	2.6331	2.6331	2.9030	2.9030	3.5591	2.8486	2.8486	3.5591
O3	1.4576	2.5284		2.6331	2.6331	2.9030	2.9030	2.8486	3.5591	3.5591	2.8486
C4	1.7822	2.6331	2.6331		2.7647	1.0970	3.7292	1.0958	1.0958	2.9557	2.9557
C5	1.7822	2.6331	2.6331	2.7647		3.7292	1.0970	2.9557	2.9557	1.0958	1.0958
H6	2.3555	2.9030	2.9030	1.0970	3.7292		4.5949	1.7877	1.7877	3.9648	3.9648
H7	2.3555	2.9030	2.9030	3.7292	1.0970	4.5949		3.9648	3.9648	1.7877	1.7877
H8	2.3933	3.5591	2.8486	1.0958	2.9557	1.7877	3.9648		1.8007	3.2667	2.7256
H9	2.3933	2.8486	3.5591	1.0958	2.9557	1.7877	3.9648	1.8007		2.7256	3.2667
H10	2.3933	2.8486	3.5591	2.9557	1.0958	3.9648	1.7877	3.2667	2.7256		1.8007
H11	2.3933	3.5591	2.8486	2.9557	1.0958	3.9648	1.7877	2.7256	3.2667	1.8007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	107.389	S1	C4	H8	110.230
S1	C4	H9	110.230	S1	C5	H7	107.389
S1	C5	H10	110.230	S1	C5	H11	110.230
O2	S1	O3	120.293	O2	S1	C4	108.312
O2	S1	C5	108.312	O3	S1	C4	108.312
O3	S1	C5	108.312	C4	S1	C5	101.725
H6	C4	H8	109.219	H6	C4	H9	109.219
H7	C5	H10	109.219	H7	C5	H11	109.219
H8	C4	H9	110.490	H10	C5	H11	110.490

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

using model chemistry: CCD/3-21G*

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/3-21G*

States and conformations

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