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	hartrees
Energy at 0K	-628.408205
Energy at 298.15K
HF Energy	-628.408205
Nuclear repulsion energy	268.821963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3077	0.45
2	A₁	3058	2967	2.21
3	A₁	1426	1384	3.19
4	A₁	1314	1274	11.24
5	A₁	1097	1064	154.81
6	A₁	985	955	0.28
7	A₁	639	620	12.95
8	A₁	450	436	23.89
9	A₁	257	249	2.18
10	A₂	3175	3080	0.00
11	A₂	1417	1375	0.00
12	A₂	904	877	0.00
13	A₂	272	264	0.00
14	A₂	169	164	0.00
15	B₁	3179	3083	2.23
16	B₁	1433	1390	9.12
17	B₁	1279	1241	197.47
18	B₁	963	934	0.22
19	B₁	334	324	0.87
20	B₁	201	195	0.61
21	B₂	3171	3076	0.77
22	B₂	3056	2964	0.07
23	B₂	1416	1374	7.30
24	B₂	1295	1256	6.41
25	B₂	923	895	59.37
26	B₂	703	682	56.11
27	B₂	422	409	35.71

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	-1.294	0.000	0.924
O3	1.294	0.000	0.924
C4	0.000	1.426	-0.930
C5	0.000	-1.426	-0.930
H6	0.000	2.307	-0.273
H7	0.000	-2.307	-0.273
H8	0.911	1.407	-1.543
H9	-0.911	1.407	-1.543
H10	-0.911	-1.407	-1.543
H11	0.911	-1.407	-1.543

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4864	1.4864	1.8157	1.8157	2.3538	2.3538	2.4131	2.4131	2.4131	2.4131
O2	1.4864		2.5886	2.6737	2.6737	2.9039	2.9039	3.5957	2.8655	2.8655	3.5957
O3	1.4864	2.5886		2.6737	2.6737	2.9039	2.9039	2.8655	3.5957	3.5957	2.8655
C4	1.8157	2.6737	2.6737		2.8525	1.0988	3.7907	1.0981	1.0981	3.0383	3.0383
C5	1.8157	2.6737	2.6737	2.8525		3.7907	1.0988	3.0383	3.0383	1.0981	1.0981
H6	2.3538	2.9039	2.9039	1.0988	3.7907		4.6142	1.8033	1.8033	4.0291	4.0291
H7	2.3538	2.9039	2.9039	3.7907	1.0988	4.6142		4.0291	4.0291	1.8033	1.8033
H8	2.4131	3.5957	2.8655	1.0981	3.0383	1.8033	4.0291		1.8227	3.3523	2.8135
H9	2.4131	2.8655	3.5957	1.0981	3.0383	1.8033	4.0291	1.8227		2.8135	3.3523
H10	2.4131	2.8655	3.5957	3.0383	1.0981	4.0291	1.8033	3.3523	2.8135		1.8227
H11	2.4131	3.5957	2.8655	3.0383	1.0981	4.0291	1.8033	2.8135	3.3523	1.8227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.054	S1	C4	H8	109.334
S1	C4	H9	109.334	S1	C5	H7	105.054
S1	C5	H10	109.334	S1	C5	H11	109.334
O2	S1	O3	121.090	O2	S1	C4	107.717
O2	S1	C5	107.717	O3	S1	C4	107.717
O3	S1	C5	107.717	C4	S1	C5	103.536
H6	C4	H8	110.340	H6	C4	H9	110.340
H7	C5	H10	110.340	H7	C5	H11	110.340
H8	C4	H9	112.184	H10	C5	H11	112.184

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

using model chemistry: B3LYP/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	0.762
2	O	-0.464
3	O	-0.464
4	C	-0.129
5	C	-0.129
6	H	0.084
7	H	0.084
8	H	0.064
9	H	0.064
10	H	0.064
11	H	0.064

<r²>	130.911
(<r²>)^1/2	11.442

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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