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	hartrees
Energy at 0K	-627.189985
Energy at 298.15K
HF Energy	-626.388395
Nuclear repulsion energy	272.053700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3204	3051	0.86
2	A₁	3100	2952	1.69
3	A₁	1509	1437	3.13
4	A₁	1424	1356	15.77
5	A₁	1162	1107	161.91
6	A₁	1049	999	1.57
7	A₁	711	677	9.16
8	A₁	489	466	29.04
9	A₁	276	263	2.49
10	A₂	3204	3051	0.00
11	A₂	1497	1426	0.00
12	A₂	987	940	0.00
13	A₂	293	279	0.00
14	A₂	194	185	0.00
15	B₁	3207	3054	3.39
16	B₁	1513	1440	13.46
17	B₁	1351	1287	218.20
18	B₁	1043	993	0.40
19	B₁	367	349	1.21
20	B₁	224	213	0.48
21	B₂	3203	3050	0.26
22	B₂	3098	2950	0.01
23	B₂	1500	1429	7.72
24	B₂	1406	1339	15.99
25	B₂	1000	953	63.99
26	B₂	789	751	45.12
27	B₂	454	433	42.54

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.277	0.000	0.914
O3	1.277	0.000	0.914
C4	0.000	1.407	-0.914
C5	0.000	-1.407	-0.914
H6	0.000	2.297	-0.278
H7	0.000	-2.297	-0.278
H8	0.903	1.391	-1.531
H9	-0.903	1.391	-1.531
H10	-0.903	-1.391	-1.531
H11	0.903	-1.391	-1.531

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4685	1.4685	1.7884	1.7884	2.3441	2.3441	2.3894	2.3894	2.3894	2.3894
O2	1.4685		2.5538	2.6374	2.6374	2.8860	2.8860	3.5590	2.8382	2.8382	3.5590
O3	1.4685	2.5538		2.6374	2.6374	2.8860	2.8860	2.8382	3.5590	3.5590	2.8382
C4	1.7884	2.6374	2.6374		2.8149	1.0938	3.7588	1.0934	1.0934	3.0047	3.0047
C5	1.7884	2.6374	2.6374	2.8149		3.7588	1.0938	3.0047	3.0047	1.0934	1.0934
H6	2.3441	2.8860	2.8860	1.0938	3.7588		4.5942	1.7904	1.7904	3.9986	3.9986
H7	2.3441	2.8860	2.8860	3.7588	1.0938	4.5942		3.9986	3.9986	1.7904	1.7904
H8	2.3894	3.5590	2.8382	1.0934	3.0047	1.7904	3.9986		1.8057	3.3171	2.7825
H9	2.3894	2.8382	3.5590	1.0934	3.0047	1.7904	3.9986	1.8057		2.7825	3.3171
H10	2.3894	2.8382	3.5590	3.0047	1.0934	3.9986	1.7904	3.3171	2.7825		1.8057
H11	2.3894	3.5590	2.8382	3.0047	1.0934	3.9986	1.7904	2.7825	3.3171	1.8057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.327	S1	C4	H8	109.652
S1	C4	H9	109.652	S1	C5	H7	106.327
S1	C5	H10	109.652	S1	C5	H11	109.652
O2	S1	O3	120.805	O2	S1	C4	107.742
O2	S1	C5	107.742	O3	S1	C4	107.742
O3	S1	C5	107.742	C4	S1	C5	103.805
H6	C4	H8	109.883	H6	C4	H9	109.883
H7	C5	H10	109.883	H7	C5	H11	109.883
H8	C4	H9	111.319	H10	C5	H11	111.319

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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