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	hartrees
Energy at 0K	-624.855233
Energy at 298.15K
HF Energy	-624.655757
Nuclear repulsion energy	272.063044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3181	1.35
2	A₁	3096	3096	1.43
3	A₁	1547	1547	4.02
4	A₁	1454	1454	18.58
5	A₁	1173	1173	155.63
6	A₁	1055	1055	0.33
7	A₁	685	685	16.97
8	A₁	492	492	22.41
9	A₁	294	294	2.33
10	A₂	3186	3186	0.00
11	A₂	1532	1532	0.00
12	A₂	993	993	0.00
13	A₂	283	283	0.00
14	A₂	194	194	0.00
15	B₁	3191	3191	4.27
16	B₁	1548	1548	18.90
17	B₁	1384	1384	167.28
18	B₁	1050	1050	2.98
19	B₁	363	363	1.10
20	B₁	222	222	0.55
21	B₂	3179	3179	0.06
22	B₂	3093	3093	0.00
23	B₂	1537	1537	11.90
24	B₂	1439	1439	27.91
25	B₂	1000	1000	62.94
26	B₂	760	760	76.08
27	B₂	437	437	31.14

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.200
O2	-1.274	0.000	0.928
O3	1.274	0.000	0.928
C4	0.000	1.385	-0.932
C5	0.000	-1.385	-0.932
H6	0.000	2.295	-0.326
H7	0.000	-2.295	-0.326
H8	0.897	1.367	-1.552
H9	-0.897	1.367	-1.552
H10	-0.897	-1.367	-1.552
H11	0.897	-1.367	-1.552

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4679	1.4679	1.7886	1.7886	2.3540	2.3540	2.3965	2.3965	2.3965	2.3965
O2	1.4679		2.5490	2.6459	2.6459	2.9089	2.9089	3.5687	2.8571	2.8571	3.5687
O3	1.4679	2.5490		2.6459	2.6459	2.9089	2.9089	2.8571	3.5687	3.5687	2.8571
C4	1.7886	2.6459	2.6459		2.7709	1.0923	3.7295	1.0909	1.0909	2.9611	2.9611
C5	1.7886	2.6459	2.6459	2.7709		3.7295	1.0923	2.9611	2.9611	1.0909	1.0909
H6	2.3540	2.9089	2.9089	1.0923	3.7295		4.5891	1.7798	1.7798	3.9646	3.9646
H7	2.3540	2.9089	2.9089	3.7295	1.0923	4.5891		3.9646	3.9646	1.7798	1.7798
H8	2.3965	3.5687	2.8571	1.0909	2.9611	1.7798	3.9646		1.7939	3.2707	2.7348
H9	2.3965	2.8571	3.5687	1.0909	2.9611	1.7798	3.9646	1.7939		2.7348	3.2707
H10	2.3965	2.8571	3.5687	2.9611	1.0909	3.9646	1.7798	3.2707	2.7348		1.7939
H11	2.3965	3.5687	2.8571	2.9611	1.0909	3.9646	1.7798	2.7348	3.2707	1.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	107.108	S1	C4	H8	110.307
S1	C4	H9	110.307	S1	C5	H7	107.108
S1	C5	H10	110.307	S1	C5	H11	110.307
O2	S1	O3	120.513	O2	S1	C4	108.286
O2	S1	C5	108.286	O3	S1	C4	108.286
O3	S1	C5	108.286	C4	S1	C5	101.540
H6	C4	H8	109.216	H6	C4	H9	109.216
H7	C5	H10	109.216	H7	C5	H11	109.216
H8	C4	H9	110.608	H10	C5	H11	110.608

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

using model chemistry: B2PLYP=FULLultrafine/3-21G*

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: B2PLYP=FULLultrafine/3-21G*

States and conformations

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