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	hartrees
Energy at 0K	-627.588178
Energy at 298.15K
HF Energy	-626.556127
Nuclear repulsion energy	277.059483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3192	3011	0.63
2	A₁	3090	2914	1.40
3	A₁	1491	1406	2.90
4	A₁	1395	1315	26.78
5	A₁	1225	1155	168.26
6	A₁	1036	977	2.46
7	A₁	732	690	9.02
8	A₁	514	484	28.51
9	A₁	280	264	2.39
10	A₂	3198	3016	0.00
11	A₂	1478	1394	0.00
12	A₂	961	906	0.00
13	A₂	312	294	0.00
14	A₂	201	190	0.00
15	B₁	3202	3020	1.44
16	B₁	1496	1411	1.29
17	B₁	1419	1338	287.08
18	B₁	1021	962	1.31
19	B₁	373	352	0.56
20	B₁	234	221	0.37
21	B₂	3191	3009	0.50
22	B₂	3087	2912	0.15
23	B₂	1481	1396	4.85
24	B₂	1379	1300	17.47
25	B₂	971	915	75.73
26	B₂	788	743	30.06
27	B₂	479	452	40.21

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.240	0.000	0.902
O3	1.240	0.000	0.902
C4	0.000	1.388	-0.905
C5	0.000	-1.388	-0.905
H6	0.000	2.269	-0.267
H7	0.000	-2.269	-0.267
H8	0.899	1.368	-1.515
H9	-0.899	1.368	-1.515
H10	-0.899	-1.368	-1.515
H11	0.899	-1.368	-1.515

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4305	1.4305	1.7667	1.7667	2.3147	2.3147	2.3630	2.3630	2.3630	2.3630
O2	1.4305		2.4805	2.5935	2.5935	2.8379	2.8379	3.5057	2.7978	2.7978	3.5057
O3	1.4305	2.4805		2.5935	2.5935	2.8379	2.8379	2.7978	3.5057	3.5057	2.7978
C4	1.7667	2.5935	2.5935		2.7751	1.0882	3.7121	1.0871	1.0871	2.9622	2.9622
C5	1.7667	2.5935	2.5935	2.7751		3.7121	1.0882	2.9622	2.9622	1.0871	1.0871
H6	2.3147	2.8379	2.8379	1.0882	3.7121		4.5387	1.7829	1.7829	3.9493	3.9493
H7	2.3147	2.8379	2.8379	3.7121	1.0882	4.5387		3.9493	3.9493	1.7829	1.7829
H8	2.3630	3.5057	2.7978	1.0871	2.9622	1.7829	3.9493		1.7988	3.2744	2.7361
H9	2.3630	2.7978	3.5057	1.0871	2.9622	1.7829	3.9493	1.7988		2.7361	3.2744
H10	2.3630	2.7978	3.5057	2.9622	1.0871	3.9493	1.7829	3.2744	2.7361		1.7988
H11	2.3630	3.5057	2.7978	2.9622	1.0871	3.9493	1.7829	2.7361	3.2744	1.7988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.883	S1	C4	H8	109.476
S1	C4	H9	109.476	S1	C5	H7	105.883
S1	C5	H10	109.476	S1	C5	H11	109.476
O2	S1	O3	120.233	O2	S1	C4	107.963
O2	S1	C5	107.963	O3	S1	C4	107.963
O3	S1	C5	107.963	C4	S1	C5	103.516
H6	C4	H8	110.094	H6	C4	H9	110.094
H7	C5	H10	110.094	H7	C5	H11	110.094
H8	C4	H9	111.651	H10	C5	H11	111.651

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

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

States and conformations

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