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	hartrees
Energy at 0K	-627.827852
Energy at 298.15K
HF Energy	-626.555112
Nuclear repulsion energy	276.700929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3218	3034	0.02
2	A₁	3106	2928	1.12
3	A₁	1484	1399	3.30
4	A₁	1370	1291	25.23
5	A₁	1198	1129	150.99
6	A₁	1023	964	2.44
7	A₁	723	682	9.23
8	A₁	496	468	24.07
9	A₁	278	262	2.34
10	A₂	3225	3040	0.00
11	A₂	1469	1385	0.00
12	A₂	946	892	0.00
13	A₂	306	289	0.00
14	A₂	203	191	0.00
15	B₁	3229	3044	0.13
16	B₁	1489	1404	3.75
17	B₁	1390	1311	257.87
18	B₁	1005	948	1.53
19	B₁	368	347	0.46
20	B₁	238	224	0.37
21	B₂	3217	3033	1.74
22	B₂	3105	2927	0.59
23	B₂	1473	1388	5.84
24	B₂	1355	1278	21.60
25	B₂	954	900	71.82
26	B₂	780	735	31.11
27	B₂	468	441	33.89

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.188
O2	-1.249	0.000	0.902
O3	1.249	0.000	0.902
C4	0.000	1.382	-0.905
C5	0.000	-1.382	-0.905
H6	0.000	2.261	-0.267
H7	0.000	-2.261	-0.267
H8	0.898	1.362	-1.513
H9	-0.898	1.362	-1.513
H10	-0.898	-1.362	-1.513
H11	0.898	-1.362	-1.513

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4391	1.4391	1.7616	1.7616	2.3060	2.3060	2.3566	2.3566	2.3566	2.3566
O2	1.4391		2.4987	2.5952	2.5952	2.8351	2.8351	3.5069	2.7945	2.7945	3.5069
O3	1.4391	2.4987		2.5952	2.5952	2.8351	2.8351	2.7945	3.5069	3.5069	2.7945
C4	1.7616	2.5952	2.5952		2.7639	1.0861	3.6982	1.0848	1.0848	2.9504	2.9504
C5	1.7616	2.5952	2.5952	2.7639		3.6982	1.0861	2.9504	2.9504	1.0848	1.0848
H6	2.3060	2.8351	2.8351	1.0861	3.6982		4.5216	1.7798	1.7798	3.9349	3.9349
H7	2.3060	2.8351	2.8351	3.6982	1.0861	4.5216		3.9349	3.9349	1.7798	1.7798
H8	2.3566	3.5069	2.7945	1.0848	2.9504	1.7798	3.9349		1.7964	3.2628	2.7238
H9	2.3566	2.7945	3.5069	1.0848	2.9504	1.7798	3.9349	1.7964		2.7238	3.2628
H10	2.3566	2.7945	3.5069	2.9504	1.0848	3.9349	1.7798	3.2628	2.7238		1.7964
H11	2.3566	3.5069	2.7945	2.9504	1.0848	3.9349	1.7798	2.7238	3.2628	1.7964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.688	S1	C4	H8	109.457
S1	C4	H9	109.457	S1	C5	H7	105.688
S1	C5	H10	109.457	S1	C5	H11	109.457
O2	S1	O3	120.487	O2	S1	C4	107.927
O2	S1	C5	107.927	O3	S1	C4	107.927
O3	S1	C5	107.927	C4	S1	C5	103.342
H6	C4	H8	110.138	H6	C4	H9	110.138
H7	C5	H10	110.138	H7	C5	H11	110.138
H8	C4	H9	111.779	H10	C5	H11	111.779

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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: MP2=FULL/6-311+G(3df,2p)

States and conformations

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