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	hartrees
Energy at 0K	-626.291179
Energy at 298.15K
HF Energy	-626.291179
Nuclear repulsion energy	273.194808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3102	3052	0.05
2	A₁	2996	2947	0.61
3	A₁	1400	1377	6.43
4	A₁	1305	1284	36.93
5	A₁	1133	1115	168.58
6	A₁	981	965	4.82
7	A₁	673	662	11.81
8	A₁	462	455	23.59
9	A₁	262	258	2.80
10	A₂	3109	3059	0.00
11	A₂	1383	1360	0.00
12	A₂	897	882	0.00
13	A₂	279	274	0.00
14	A₂	178	175	0.00
15	B₁	3113	3062	0.05
16	B₁	1403	1380	12.55
17	B₁	1329	1307	230.98
18	B₁	962	946	4.31
19	B₁	344	338	0.24
20	B₁	216	212	0.81
21	B₂	3101	3051	2.80
22	B₂	2994	2945	1.35
23	B₂	1387	1364	10.89
24	B₂	1284	1263	47.03
25	B₂	918	903	84.08
26	B₂	728	716	41.39
27	B₂	435	428	31.75

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
O2	-1.272	0.000	0.909
O3	1.272	0.000	0.909
C4	0.000	1.396	-0.913
C5	0.000	-1.396	-0.913
H6	0.000	2.282	-0.264
H7	0.000	-2.282	-0.264
H8	0.909	1.389	-1.529
H9	-0.909	1.389	-1.529
H10	-0.909	-1.389	-1.529
H11	0.909	-1.389	-1.529

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4607	1.4607	1.7795	1.7795	2.3270	2.3270	2.3900	2.3900	2.3900	2.3900
O2	1.4607		2.5436	2.6243	2.6243	2.8639	2.8639	3.5539	2.8290	2.8290	3.5539
O3	1.4607	2.5436		2.6243	2.6243	2.8639	2.8639	2.8290	3.5539	3.5539	2.8290
C4	1.7795	2.6243	2.6243		2.7912	1.0993	3.7348	1.0981	1.0981	2.9930	2.9930
C5	1.7795	2.6243	2.6243	2.7912		3.7348	1.0993	2.9930	2.9930	1.0981	1.0981
H6	2.3270	2.8639	2.8639	1.0993	3.7348		4.5645	1.7961	1.7961	3.9879	3.9879
H7	2.3270	2.8639	2.8639	3.7348	1.0993	4.5645		3.9879	3.9879	1.7961	1.7961
H8	2.3900	3.5539	2.8290	1.0981	2.9930	1.7961	3.9879		1.8190	3.3200	2.7773
H9	2.3900	2.8290	3.5539	1.0981	2.9930	1.7961	3.9879	1.8190		2.7773	3.3200
H10	2.3900	2.8290	3.5539	2.9930	1.0981	3.9879	1.7961	3.3200	2.7773		1.8190
H11	2.3900	3.5539	2.8290	2.9930	1.0981	3.9879	1.7961	2.7773	3.3200	1.8190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.417	S1	C4	H8	110.044
S1	C4	H9	110.044	S1	C5	H7	105.417
S1	C5	H10	110.044	S1	C5	H11	110.044
O2	S1	O3	121.071	O2	S1	C4	107.770
O2	S1	C5	107.770	O3	S1	C4	107.770
O3	S1	C5	107.770	C4	S1	C5	103.302
H6	C4	H8	109.652	H6	C4	H9	109.652
H7	C5	H10	109.652	H7	C5	H11	109.652
H8	C4	H9	111.832	H10	C5	H11	111.832

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

using model chemistry: LSDA/6-311G*

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	0.892
2	O	-0.442
3	O	-0.442
4	C	-0.908
5	C	-0.908
6	H	0.322
7	H	0.322
8	H	0.291
9	H	0.291
10	H	0.291
11	H	0.291

<r²>	127.889
(<r²>)^1/2	11.309

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

using model chemistry: LSDA/6-311G*

States and conformations

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