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	hartrees
Energy at 0K	-626.578563
Energy at 298.15K
HF Energy	-626.117903
Nuclear repulsion energy	254.066875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3290	3086	0.55
2	A₁	3167	2970	2.29
3	A₁	1543	1447	7.28
4	A₁	1467	1376	2.20
5	A₁	1133	1063	36.75
6	A₁	800	750	27.96
7	A₁	625	586	0.30
8	A₁	357	335	32.00
9	A₁	232	218	4.93
10	A₂	3289	3084	0.00
11	A₂	1545	1448	0.00
12	A₂	1042	977	0.00
13	A₂	224	210	0.00
14	A₂	158	148	0.00
15	B₁	3291	3086	0.00
16	B₁	1555	1458	34.83
17	B₁	1130	1060	31.22
18	B₁	916	859	10.99
19	B₁	283	266	1.25
20	B₁	178	167	0.72
21	B₂	3289	3085	2.51
22	B₂	3163	2966	0.01
23	B₂	1533	1438	13.84
24	B₂	1443	1353	0.30
25	B₂	1040	975	14.70
26	B₂	735	689	18.02
27	B₂	322	302	53.14

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.166
O2	-1.437	0.000	0.980
O3	1.437	0.000	0.980
C4	0.000	1.478	-0.958
C5	0.000	-1.478	-0.958
H6	0.000	2.346	-0.303
H7	0.000	-2.346	-0.303
H8	0.905	1.442	-1.559
H9	-0.905	1.442	-1.559
H10	-0.905	-1.442	-1.559
H11	0.905	-1.442	-1.559

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6512	1.6512	1.8569	1.8569	2.3924	2.3924	2.4241	2.4241	2.4241	2.4241
O2	1.6512		2.8735	2.8291	2.8291	3.0354	3.0354	3.7433	2.9681	2.9681	3.7433
O3	1.6512	2.8735		2.8291	2.8291	3.0354	3.0354	2.9681	3.7433	3.7433	2.9681
C4	1.8569	2.8291	2.8291		2.9559	1.0874	3.8796	1.0872	1.0872	3.1160	3.1160
C5	1.8569	2.8291	2.8291	2.9559		3.8796	1.0874	3.1160	3.1160	1.0872	1.0872
H6	2.3924	3.0354	3.0354	1.0874	3.8796		4.6919	1.7927	1.7927	4.0926	4.0926
H7	2.3924	3.0354	3.0354	3.8796	1.0874	4.6919		4.0926	4.0926	1.7927	1.7927
H8	2.4241	3.7433	2.9681	1.0872	3.1160	1.7927	4.0926		1.8105	3.4060	2.8850
H9	2.4241	2.9681	3.7433	1.0872	3.1160	1.7927	4.0926	1.8105		2.8850	3.4060
H10	2.4241	2.9681	3.7433	3.1160	1.0872	4.0926	1.7927	3.4060	2.8850		1.8105
H11	2.4241	3.7433	2.9681	3.1160	1.0872	4.0926	1.7927	2.8850	3.4060	1.8105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.704	S1	C4	H8	107.982
S1	C4	H9	107.982	S1	C5	H7	105.704
S1	C5	H10	107.982	S1	C5	H11	107.982
O2	S1	O3	120.945	O2	S1	C4	107.359
O2	S1	C5	107.359	O3	S1	C4	107.359
O3	S1	C5	107.359	C4	S1	C5	105.488
H6	C4	H8	111.043	H6	C4	H9	111.043
H7	C5	H10	111.043	H7	C5	H11	111.043
H8	C4	H9	112.740	H10	C5	H11	112.740

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

using model chemistry: CISD/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: CISD/6-31G

States and conformations

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