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	hartrees
Energy at 0K	-627.600980
Energy at 298.15K
HF Energy	-626.555395
Nuclear repulsion energy	276.367917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3034	1.03
2	A₁	3080	2938	1.84
3	A₁	1488	1419	2.75
4	A₁	1389	1324	20.58
5	A₁	1199	1144	157.39
6	A₁	1031	983	1.22
7	A₁	722	689	8.22
8	A₁	503	480	26.75
9	A₁	278	265	2.33
10	A₂	3186	3038	0.00
11	A₂	1475	1406	0.00
12	A₂	957	913	0.00
13	A₂	308	294	0.00
14	A₂	198	189	0.00
15	B₁	3190	3042	2.06
16	B₁	1493	1424	3.38
17	B₁	1390	1326	258.00
18	B₁	1015	968	0.97
19	B₁	369	352	0.53
20	B₁	231	220	0.36
21	B₂	3180	3032	0.34
22	B₂	3078	2936	0.02
23	B₂	1478	1409	5.18
24	B₂	1373	1310	15.14
25	B₂	965	921	69.56
26	B₂	782	746	30.51
27	B₂	471	449	38.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.245	0.000	0.904
O3	1.245	0.000	0.904
C4	0.000	1.389	-0.907
C5	0.000	-1.389	-0.907
H6	0.000	2.272	-0.270
H7	0.000	-2.272	-0.270
H8	0.900	1.369	-1.517
H9	-0.900	1.369	-1.517
H10	-0.900	-1.369	-1.517
H11	0.900	-1.369	-1.517

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4361	1.4361	1.7692	1.7692	2.3179	2.3179	2.3653	2.3653	2.3653	2.3653
O2	1.4361		2.4902	2.6000	2.6000	2.8445	2.8445	3.5128	2.8032	2.8032	3.5128
O3	1.4361	2.4902		2.6000	2.6000	2.8445	2.8445	2.8032	3.5128	3.5128	2.8032
C4	1.7692	2.6000	2.6000		2.7786	1.0888	3.7165	1.0877	1.0877	2.9649	2.9649
C5	1.7692	2.6000	2.6000	2.7786		3.7165	1.0888	2.9649	2.9649	1.0877	1.0877
H6	2.3179	2.8445	2.8445	1.0888	3.7165		4.5444	1.7841	1.7841	3.9528	3.9528
H7	2.3179	2.8445	2.8445	3.7165	1.0888	4.5444		3.9528	3.9528	1.7841	1.7841
H8	2.3653	3.5128	2.8032	1.0877	2.9649	1.7841	3.9528		1.7998	3.2764	2.7378
H9	2.3653	2.8032	3.5128	1.0877	2.9649	1.7841	3.9528	1.7998		2.7378	3.2764
H10	2.3653	2.8032	3.5128	2.9649	1.0877	3.9528	1.7841	3.2764	2.7378		1.7998
H11	2.3653	3.5128	2.8032	2.9649	1.0877	3.9528	1.7841	2.7378	3.2764	1.7998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.926	S1	C4	H8	109.445
S1	C4	H9	109.445	S1	C5	H7	105.926
S1	C5	H10	109.445	S1	C5	H11	109.445
O2	S1	O3	120.227	O2	S1	C4	107.970
O2	S1	C5	107.970	O3	S1	C4	107.970
O3	S1	C5	107.970	C4	S1	C5	103.489
H6	C4	H8	110.106	H6	C4	H9	110.106
H7	C5	H10	110.106	H7	C5	H11	110.106
H8	C4	H9	111.647	H10	C5	H11	111.647

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

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

States and conformations

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