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	hartrees
Energy at 0K	-628.159146
Energy at 298.15K
HF Energy	-627.828226
Nuclear repulsion energy	272.233691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	3194	1.38
2	A₁	3091	3091	2.71
3	A₁	1493	1493	5.00
4	A₁	1397	1397	16.99
5	A₁	1137	1137	181.73
6	A₁	1030	1030	0.97
7	A₁	674	674	11.53
8	A₁	475	475	27.22
9	A₁	273	273	2.29
10	A₂	3197	3197	0.00
11	A₂	1479	1479	0.00
12	A₂	960	960	0.00
13	A₂	292	292	0.00
14	A₂	183	183	0.00
15	B₁	3201	3201	4.22
16	B₁	1496	1496	17.14
17	B₁	1323	1323	225.36
18	B₁	1019	1019	0.67
19	B₁	359	359	0.90
20	B₁	215	215	0.61
21	B₂	3192	3192	0.18
22	B₂	3089	3089	0.15
23	B₂	1483	1483	8.14
24	B₂	1378	1378	19.12
25	B₂	973	973	60.66
26	B₂	745	745	52.10
27	B₂	449	449	38.44

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	-1.273	0.000	0.913
O3	1.273	0.000	0.913
C4	0.000	1.412	-0.919
C5	0.000	-1.412	-0.919
H6	0.000	2.292	-0.279
H7	0.000	-2.292	-0.279
H8	0.900	1.397	-1.530
H9	-0.900	1.397	-1.530
H10	-0.900	-1.397	-1.530
H11	0.900	-1.397	-1.530

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4621	1.4621	1.7976	1.7976	2.3403	2.3403	2.3941	2.3941	2.3941	2.3941
O2	1.4621		2.5451	2.6403	2.6403	2.8802	2.8802	3.5556	2.8389	2.8389	3.5556
O3	1.4621	2.5451		2.6403	2.6403	2.8802	2.8802	2.8389	3.5556	3.5556	2.8389
C4	1.7976	2.6403	2.6403		2.8234	1.0884	3.7586	1.0878	1.0878	3.0120	3.0120
C5	1.7976	2.6403	2.6403	2.8234		3.7586	1.0884	3.0120	3.0120	1.0878	1.0878
H6	2.3403	2.8802	2.8802	1.0884	3.7586		4.5841	1.7819	1.7819	3.9979	3.9979
H7	2.3403	2.8802	2.8802	3.7586	1.0884	4.5841		3.9979	3.9979	1.7819	1.7819
H8	2.3941	3.5556	2.8389	1.0878	3.0120	1.7819	3.9979		1.8005	3.3239	2.7941
H9	2.3941	2.8389	3.5556	1.0878	3.0120	1.7819	3.9979	1.8005		2.7941	3.3239
H10	2.3941	2.8389	3.5556	3.0120	1.0878	3.9979	1.7819	3.3239	2.7941		1.8005
H11	2.3941	3.5556	2.8389	3.0120	1.0878	3.9979	1.7819	2.7941	3.3239	1.8005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.735	S1	C4	H8	109.683
S1	C4	H9	109.683	S1	C5	H7	105.735
S1	C5	H10	109.683	S1	C5	H11	109.683
O2	S1	O3	120.998	O2	S1	C4	107.750
O2	S1	C5	107.750	O3	S1	C4	107.750
O3	S1	C5	107.750	C4	S1	C5	103.502
H6	C4	H8	109.929	H6	C4	H9	109.929
H7	C5	H10	109.929	H7	C5	H11	109.929
H8	C4	H9	111.708	H10	C5	H11	111.708

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

using model chemistry: B2PLYP=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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