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	hartrees
Energy at 0K	-627.410739
Energy at 298.15K
HF Energy	-626.557234
Nuclear repulsion energy	279.049618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3283	3026	0.65
2	A₁	3182	2933	1.24
3	A₁	1541	1421	3.25
4	A₁	1451	1338	28.80
5	A₁	1268	1169	183.00
6	A₁	1074	990	2.71
7	A₁	760	700	8.59
8	A₁	536	494	32.93
9	A₁	289	267	2.61
10	A₂	3288	3031	0.00
11	A₂	1528	1409	0.00
12	A₂	996	919	0.00
13	A₂	323	298	0.00
14	A₂	210	193	0.00
15	B₁	3293	3036	1.55
16	B₁	1547	1426	1.84
17	B₁	1463	1349	308.54
18	B₁	1058	976	1.46
19	B₁	387	356	0.60
20	B₁	243	224	0.41
21	B₂	3281	3025	0.54
22	B₂	3180	2931	0.28
23	B₂	1531	1412	4.81
24	B₂	1435	1323	19.02
25	B₂	1006	927	83.71
26	B₂	819	755	28.90
27	B₂	498	459	46.18

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.186
O2	-1.229	0.000	0.896
O3	1.229	0.000	0.896
C4	0.000	1.382	-0.897
C5	0.000	-1.382	-0.897
H6	0.000	2.257	-0.263
H7	0.000	-2.257	-0.263
H8	0.892	1.365	-1.503
H9	-0.892	1.365	-1.503
H10	-0.892	-1.365	-1.503
H11	0.892	-1.365	-1.503

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4192	1.4192	1.7551	1.7551	2.3009	2.3009	2.3478	2.3478	2.3478	2.3478
O2	1.4192		2.4575	2.5752	2.5752	2.8189	2.8189	3.4811	2.7808	2.7808	3.4811
O3	1.4192	2.4575		2.5752	2.5752	2.8189	2.8189	2.7808	3.4811	3.4811	2.7808
C4	1.7551	2.5752	2.5752		2.7631	1.0802	3.6929	1.0790	1.0790	2.9509	2.9509
C5	1.7551	2.5752	2.5752	2.7631		3.6929	1.0802	2.9509	2.9509	1.0790	1.0790
H6	2.3009	2.8189	2.8189	1.0802	3.6929		4.5132	1.7687	1.7687	3.9307	3.9307
H7	2.3009	2.8189	2.8189	3.6929	1.0802	4.5132		3.9307	3.9307	1.7687	1.7687
H8	2.3478	3.4811	2.7808	1.0790	2.9509	1.7687	3.9307		1.7844	3.2616	2.7302
H9	2.3478	2.7808	3.4811	1.0790	2.9509	1.7687	3.9307	1.7844		2.7302	3.2616
H10	2.3478	2.7808	3.4811	2.9509	1.0790	3.9307	1.7687	3.2616	2.7302		1.7844
H11	2.3478	3.4811	2.7808	2.9509	1.0790	3.9307	1.7687	2.7302	3.2616	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.025	S1	C4	H8	109.555
S1	C4	H9	109.555	S1	C5	H7	106.025
S1	C5	H10	109.555	S1	C5	H11	109.555
O2	S1	O3	119.952	O2	S1	C4	107.975
O2	S1	C5	107.975	O3	S1	C4	107.975
O3	S1	C5	107.975	C4	S1	C5	103.841
H6	C4	H8	109.995	H6	C4	H9	109.995
H7	C5	H10	109.995	H7	C5	H11	109.995
H8	C4	H9	111.562	H10	C5	H11	111.562

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

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

States and conformations

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