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	hartrees
Energy at 0K	-628.030644
Energy at 298.15K
HF Energy	-627.759772
Nuclear repulsion energy	269.675143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3203	3067	0.36
2	A₁	3084	2954	2.40
3	A₁	1446	1384	3.24
4	A₁	1331	1275	12.09
5	A₁	1109	1062	151.42
6	A₁	995	953	0.26
7	A₁	660	632	12.43
8	A₁	455	436	25.60
9	A₁	261	250	1.98
10	A₂	3205	3070	0.00
11	A₂	1435	1374	0.00
12	A₂	913	875	0.00
13	A₂	275	264	0.00
14	A₂	171	164	0.00
15	B₁	3209	3073	1.96
16	B₁	1451	1390	9.34
17	B₁	1294	1240	192.94
18	B₁	974	932	0.25
19	B₁	338	324	1.19
20	B₁	204	195	0.58
21	B₂	3201	3066	0.78
22	B₂	3082	2951	0.10
23	B₂	1436	1375	7.36
24	B₂	1313	1257	8.49
25	B₂	933	894	60.97
26	B₂	724	694	52.74
27	B₂	428	410	37.84

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	-1.294	0.000	0.921
O3	1.294	0.000	0.921
C4	0.000	1.416	-0.926
C5	0.000	-1.416	-0.926
H6	0.000	2.298	-0.273
H7	0.000	-2.298	-0.273
H8	0.910	1.396	-1.539
H9	-0.910	1.396	-1.539
H10	-0.910	-1.396	-1.539
H11	0.910	-1.396	-1.539

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4844	1.4844	1.8051	1.8051	2.3453	2.3453	2.4034	2.4034	2.4034	2.4034
O2	1.4844		2.5880	2.6629	2.6629	2.8953	2.8953	3.5855	2.8538	2.8538	3.5855
O3	1.4844	2.5880		2.6629	2.6629	2.8953	2.8953	2.8538	3.5855	3.5855	2.8538
C4	1.8051	2.6629	2.6629		2.8319	1.0980	3.7714	1.0973	1.0973	3.0180	3.0180
C5	1.8051	2.6629	2.6629	2.8319		3.7714	1.0980	3.0180	3.0180	1.0973	1.0973
H6	2.3453	2.8953	2.8953	1.0980	3.7714		4.5970	1.8016	1.8016	4.0096	4.0096
H7	2.3453	2.8953	2.8953	3.7714	1.0980	4.5970		4.0096	4.0096	1.8016	1.8016
H8	2.4034	3.5855	2.8538	1.0973	3.0180	1.8016	4.0096		1.8205	3.3325	2.7912
H9	2.4034	2.8538	3.5855	1.0973	3.0180	1.8016	4.0096	1.8205		2.7912	3.3325
H10	2.4034	2.8538	3.5855	3.0180	1.0973	4.0096	1.8016	3.3325	2.7912		1.8205
H11	2.4034	3.5855	2.8538	3.0180	1.0973	4.0096	1.8016	2.7912	3.3325	1.8205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.158	S1	C4	H8	109.370
S1	C4	H9	109.370	S1	C5	H7	105.158
S1	C5	H10	109.370	S1	C5	H11	109.370
O2	S1	O3	121.316	O2	S1	C4	107.695
O2	S1	C5	107.695	O3	S1	C4	107.695
O3	S1	C5	107.695	C4	S1	C5	103.329
H6	C4	H8	110.299	H6	C4	H9	110.299
H7	C5	H10	110.299	H7	C5	H11	110.299
H8	C4	H9	112.105	H10	C5	H11	112.105

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

using model chemistry: B2PLYP/cc-pVDZ

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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Number	Element	Mulliken
1	S	0.795
2	O	-0.473
3	O	-0.473
4	C	-0.156
5	C	-0.156
6	H	0.091
7	H	0.091
8	H	0.070
9	H	0.070
10	H	0.070
11	H	0.070

<r²>	130.266
(<r²>)^1/2	11.413

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

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