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	hartrees
Energy at 0K	-628.366469
Energy at 298.15K
HF Energy	-628.366469
Nuclear repulsion energy	272.169171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3200	3028	0.20
2	A₁	3094	2927	0.67
3	A₁	1465	1386	4.55
4	A₁	1366	1293	18.79
5	A₁	1147	1086	188.32
6	A₁	1021	966	0.10
7	A₁	691	654	10.37
8	A₁	472	447	33.54
9	A₁	266	251	2.66
10	A₂	3206	3034	0.00
11	A₂	1461	1382	0.00
12	A₂	947	896	0.00
13	A₂	296	280	0.00
14	A₂	217	206	0.00
15	B₁	3209	3037	0.01
16	B₁	1478	1398	9.81
17	B₁	1332	1260	270.47
18	B₁	1002	948	0.26
19	B₁	355	336	1.23
20	B₁	253	239	0.54
21	B₂	3199	3027	1.59
22	B₂	3092	2925	0.96
23	B₂	1454	1375	6.60
24	B₂	1347	1274	14.66
25	B₂	961	910	66.48
26	B₂	757	716	41.60
27	B₂	448	424	48.59

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.188
O2	-1.274	0.000	0.916
O3	1.274	0.000	0.916
C4	0.000	1.412	-0.918
C5	0.000	-1.412	-0.918
H6	0.000	2.287	-0.271
H7	0.000	-2.287	-0.271
H8	0.902	1.387	-1.524
H9	-0.902	1.387	-1.524
H10	-0.902	-1.387	-1.524
H11	0.902	-1.387	-1.524

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4673	1.4673	1.7931	1.7931	2.3328	2.3328	2.3809	2.3809	2.3809	2.3809
O2	1.4673		2.5478	2.6416	2.6416	2.8745	2.8745	3.5515	2.8312	2.8312	3.5515
O3	1.4673	2.5478		2.6416	2.6416	2.8745	2.8745	2.8312	3.5515	3.5515	2.8312
C4	1.7931	2.6416	2.6416		2.8234	1.0885	3.7551	1.0874	1.0874	3.0024	3.0024
C5	1.7931	2.6416	2.6416	2.8234		3.7551	1.0885	3.0024	3.0024	1.0874	1.0874
H6	2.3328	2.8745	2.8745	1.0885	3.7551		4.5744	1.7875	1.7875	3.9855	3.9855
H7	2.3328	2.8745	2.8745	3.7551	1.0885	4.5744		3.9855	3.9855	1.7875	1.7875
H8	2.3809	3.5515	2.8312	1.0874	3.0024	1.7875	3.9855		1.8047	3.3093	2.7739
H9	2.3809	2.8312	3.5515	1.0874	3.0024	1.7875	3.9855	1.8047		2.7739	3.3093
H10	2.3809	2.8312	3.5515	3.0024	1.0874	3.9855	1.7875	3.3093	2.7739		1.8047
H11	2.3809	3.5515	2.8312	3.0024	1.0874	3.9855	1.7875	2.7739	3.3093	1.8047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.480	S1	C4	H8	109.019
S1	C4	H9	109.019	S1	C5	H7	105.480
S1	C5	H10	109.019	S1	C5	H11	109.019
O2	S1	O3	120.505	O2	S1	C4	107.814
O2	S1	C5	107.814	O3	S1	C4	107.814
O3	S1	C5	107.814	C4	S1	C5	103.867
H6	C4	H8	110.467	H6	C4	H9	110.467
H7	C5	H10	110.467	H7	C5	H11	110.467
H8	C4	H9	112.149	H10	C5	H11	112.149

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

using model chemistry: M06-2X/TZVP

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	0.689
2	O	-0.429
3	O	-0.429
4	C	-0.445
5	C	-0.445
6	H	0.192
7	H	0.192
8	H	0.169
9	H	0.169
10	H	0.169
11	H	0.169

<r²>	128.806
(<r²>)^1/2	11.349

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

using model chemistry: M06-2X/TZVP

States and conformations

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