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	hartrees
Energy at 0K	-627.425494
Energy at 298.15K
HF Energy	-626.568672
Nuclear repulsion energy	278.848731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3283	3283	0.79
2	A₁	3183	3183	1.19
3	A₁	1536	1536	3.14
4	A₁	1442	1442	33.15
5	A₁	1275	1275	178.04
6	A₁	1068	1068	3.43
7	A₁	755	755	10.64
8	A₁	537	537	33.62
9	A₁	287	287	2.47
10	A₂	3290	3290	0.00
11	A₂	1523	1523	0.00
12	A₂	989	989	0.00
13	A₂	321	321	0.00
14	A₂	200	200	0.00
15	B₁	3295	3295	2.19
16	B₁	1542	1542	0.13
17	B₁	1476	1476	287.18
18	B₁	1053	1053	1.41
19	B₁	385	385	0.72
20	B₁	238	238	0.53
21	B₂	3282	3282	0.36
22	B₂	3180	3180	0.20
23	B₂	1526	1526	4.43
24	B₂	1425	1425	19.93
25	B₂	1001	1001	90.93
26	B₂	812	812	32.62
27	B₂	497	497	47.34

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.187
O2	-1.230	0.000	0.896
O3	1.230	0.000	0.896
C4	0.000	1.382	-0.899
C5	0.000	-1.382	-0.899
H6	0.000	2.257	-0.266
H7	0.000	-2.257	-0.266
H8	0.892	1.367	-1.505
H9	-0.892	1.367	-1.505
H10	-0.892	-1.367	-1.505
H11	0.892	-1.367	-1.505

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4197	1.4197	1.7575	1.7575	2.3024	2.3024	2.3511	2.3511	2.3511	2.3511
O2	1.4197		2.4598	2.5776	2.5776	2.8211	2.8211	3.4837	2.7837	2.7837	3.4837
O3	1.4197	2.4598		2.5776	2.5776	2.8211	2.8211	2.7837	3.4837	3.4837	2.7837
C4	1.7575	2.5776	2.5776		2.7643	1.0799	3.6941	1.0786	1.0786	2.9532	2.9532
C5	1.7575	2.5776	2.5776	2.7643		3.6941	1.0799	2.9532	2.9532	1.0786	1.0786
H6	2.3024	2.8211	2.8211	1.0799	3.6941		4.5147	1.7672	1.7672	3.9329	3.9329
H7	2.3024	2.8211	2.8211	3.6941	1.0799	4.5147		3.9329	3.9329	1.7672	1.7672
H8	2.3511	3.4837	2.7837	1.0786	2.9532	1.7672	3.9329		1.7836	3.2646	2.7343
H9	2.3511	2.7837	3.4837	1.0786	2.9532	1.7672	3.9329	1.7836		2.7343	3.2646
H10	2.3511	2.7837	3.4837	2.9532	1.0786	3.9329	1.7672	3.2646	2.7343		1.7836
H11	2.3511	3.4837	2.7837	2.9532	1.0786	3.9329	1.7672	2.7343	3.2646	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.991	S1	C4	H8	109.656
S1	C4	H9	109.656	S1	C5	H7	105.991
S1	C5	H10	109.656	S1	C5	H11	109.656
O2	S1	O3	120.066	O2	S1	C4	107.971
O2	S1	C5	107.971	O3	S1	C4	107.971
O3	S1	C5	107.971	C4	S1	C5	103.703
H6	C4	H8	109.918	H6	C4	H9	109.918
H7	C5	H10	109.918	H7	C5	H11	109.918
H8	C4	H9	111.549	H10	C5	H11	111.549

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

using model chemistry: CISD/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

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