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	hartrees
Energy at 0K	-626.654444
Energy at 298.15K
HF Energy	-626.116356
Nuclear repulsion energy	252.925368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3203	3074	0.08
2	A₁	3080	2955	2.33
3	A₁	1503	1442	6.39
4	A₁	1422	1364	2.76
5	A₁	1097	1053	37.73
6	A₁	806	773	40.49
7	A₁	607	582	1.88
8	A₁	358	344	29.60
9	A₁	225	216	4.26
10	A₂	3201	3071	0.00
11	A₂	1505	1444	0.00
12	A₂	1008	967	0.00
13	A₂	217	209	0.00
14	A₂	155	149	0.00
15	B₁	3203	3073	0.28
16	B₁	1515	1454	30.88
17	B₁	1101	1056	41.66
18	B₁	924	887	19.47
19	B₁	278	267	1.44
20	B₁	175	168	0.70
21	B₂	3202	3073	1.25
22	B₂	3078	2954	0.00
23	B₂	1494	1434	12.36
24	B₂	1400	1343	0.76
25	B₂	1009	968	15.04
26	B₂	706	677	25.94
27	B₂	317	304	50.13

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.171
O2	-1.438	0.000	0.985
O3	1.438	0.000	0.985
C4	0.000	1.487	-0.967
C5	0.000	-1.487	-0.967
H6	0.000	2.362	-0.307
H7	0.000	-2.362	-0.307
H8	0.913	1.446	-1.571
H9	-0.913	1.446	-1.571
H10	-0.913	-1.446	-1.571
H11	0.913	-1.446	-1.571

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6520	1.6520	1.8725	1.8725	2.4098	2.4098	2.4412	2.4412	2.4412	2.4412
O2	1.6520		2.8753	2.8438	2.8438	3.0520	3.0520	3.7614	2.9833	2.9833	3.7614
O3	1.6520	2.8753		2.8438	2.8438	3.0520	3.0520	2.9833	3.7614	3.7614	2.9833
C4	1.8725	2.8438	2.8438		2.9745	1.0954	3.9052	1.0953	1.0953	3.1312	3.1312
C5	1.8725	2.8438	2.8438	2.9745		3.9052	1.0954	3.1312	3.1312	1.0953	1.0953
H6	2.4098	3.0520	3.0520	1.0954	3.9052		4.7238	1.8077	1.8077	4.1150	4.1150
H7	2.4098	3.0520	3.0520	3.9052	1.0954	4.7238		4.1150	4.1150	1.8077	1.8077
H8	2.4412	3.7614	2.9833	1.0953	3.1312	1.8077	4.1150		1.8254	3.4207	2.8929
H9	2.4412	2.9833	3.7614	1.0953	3.1312	1.8077	4.1150	1.8254		2.8929	3.4207
H10	2.4412	2.9833	3.7614	3.1312	1.0953	4.1150	1.8077	3.4207	2.8929		1.8254
H11	2.4412	3.7614	2.9833	3.1312	1.0953	4.1150	1.8077	2.8929	3.4207	1.8254

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.569	S1	C4	H8	107.793
S1	C4	H9	107.793	S1	C5	H7	105.569
S1	C5	H10	107.793	S1	C5	H11	107.793
O2	S1	O3	120.971	O2	S1	C4	107.417
O2	S1	C5	107.417	O3	S1	C4	107.417
O3	S1	C5	107.417	C4	S1	C5	105.169
H6	C4	H8	111.212	H6	C4	H9	111.212
H7	C5	H10	111.212	H7	C5	H11	111.212
H8	C4	H9	112.872	H10	C5	H11	112.872

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)