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	hartrees
Energy at 0K	-627.635947
Energy at 298.15K
HF Energy	-626.543836
Nuclear repulsion energy	273.648493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3168	3005
2	A₁	3063	2905
3	A₁	1468	1393
4	A₁	1352	1282
5	A₁	1164	1104
6	A₁	1006	954
7	A₁	690	654
8	A₁	483	458
9	A₁	264	250
10	A₂	3172	3009
11	A₂	1454	1379
12	A₂	932	884
13	A₂	294	279
14	A₂	183	173
15	B₁	3176	3012
16	B₁	1468	1392
17	B₁	1358	1288
18	B₁	990	939
19	B₁	352	334
20	B₁	235	223
21	B₂	3167	3004
22	B₂	3061	2904
23	B₂	1455	1380
24	B₂	1335	1266
25	B₂	944	896
26	B₂	751	712
27	B₂	451	427

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.263	0.000	0.913
O3	1.263	0.000	0.913
C4	0.000	1.400	-0.918
C5	0.000	-1.400	-0.918
H6	0.000	2.282	-0.278
H7	0.000	-2.282	-0.278
H8	0.902	1.375	-1.528
H9	-0.902	1.375	-1.528
H10	-0.902	-1.375	-1.528
H11	0.902	-1.375	-1.528

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4542	1.4542	1.7869	1.7869	2.3298	2.3298	2.3793	2.3793	2.3793	2.3793
O2	1.4542		2.5259	2.6285	2.6285	2.8673	2.8673	3.5403	2.8245	2.8245	3.5403
O3	1.4542	2.5259		2.6285	2.6285	2.8673	2.8673	2.8245	3.5403	3.5403	2.8245
C4	1.7869	2.6285	2.6285		2.8000	1.0895	3.7370	1.0887	1.0887	2.9808	2.9808
C5	1.7869	2.6285	2.6285	2.8000		3.7370	1.0895	2.9808	2.9808	1.0887	1.0887
H6	2.3298	2.8673	2.8673	1.0895	3.7370		4.5637	1.7878	1.7878	3.9682	3.9682
H7	2.3298	2.8673	2.8673	3.7370	1.0895	4.5637		3.9682	3.9682	1.7878	1.7878
H8	2.3793	3.5403	2.8245	1.0887	2.9808	1.7878	3.9682		1.8036	3.2887	2.7500
H9	2.3793	2.8245	3.5403	1.0887	2.9808	1.7878	3.9682	1.8036		2.7500	3.2887
H10	2.3793	2.8245	3.5403	2.9808	1.0887	3.9682	1.7878	3.2887	2.7500		1.8036
H11	2.3793	3.5403	2.8245	2.9808	1.0887	3.9682	1.7878	2.7500	3.2887	1.8036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.616	S1	C4	H8	109.257
S1	C4	H9	109.257	S1	C5	H7	105.616
S1	C5	H10	109.257	S1	C5	H11	109.257
O2	S1	O3	120.562	O2	S1	C4	107.942
O2	S1	C5	107.942	O3	S1	C4	107.942
O3	S1	C5	107.942	C4	S1	C5	103.163
H6	C4	H8	110.323	H6	C4	H9	110.323
H7	C5	H10	110.323	H7	C5	H11	110.323
H8	C4	H9	111.864	H10	C5	H11	111.864

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

using model chemistry: QCISD(T)/cc-pVTZ

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: QCISD(T)/cc-pVTZ

States and conformations

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