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	hartrees
Energy at 0K	-628.345675
Energy at 298.15K
HF Energy	-628.345675
Nuclear repulsion energy	273.657862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3203	3203	0.01
2	A₁	3101	3101	1.00
3	A₁	1482	1482	4.87
4	A₁	1390	1390	26.77
5	A₁	1169	1169	201.62
6	A₁	1035	1035	0.68
7	A₁	699	699	10.62
8	A₁	486	486	32.54
9	A₁	274	274	2.45
10	A₂	3211	3211	0.00
11	A₂	1475	1475	0.00
12	A₂	958	958	0.00
13	A₂	296	296	0.00
14	A₂	226	226	0.00
15	B₁	3215	3215	0.54
16	B₁	1493	1493	16.08
17	B₁	1362	1362	261.40
18	B₁	1020	1020	1.36
19	B₁	359	359	0.98
20	B₁	255	255	0.68
21	B₂	3201	3201	1.14
22	B₂	3098	3098	0.22
23	B₂	1471	1471	8.21
24	B₂	1370	1370	23.70
25	B₂	975	975	74.68
26	B₂	763	763	43.53
27	B₂	456	456	46.94

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.263	0.000	0.909
O3	1.263	0.000	0.909
C4	0.000	1.404	-0.915
C5	0.000	-1.404	-0.915
H6	0.000	2.285	-0.273
H7	0.000	-2.285	-0.273
H8	0.902	1.387	-1.523
H9	-0.902	1.387	-1.523
H10	-0.902	-1.387	-1.523
H11	0.902	-1.387	-1.523

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4530	1.4530	1.7878	1.7878	2.3316	2.3316	2.3830	2.3830	2.3830	2.3830
O2	1.4530		2.5270	2.6260	2.6260	2.8661	2.8661	3.5399	2.8235	2.8235	3.5399
O3	1.4530	2.5270		2.6260	2.6260	2.8661	2.8661	2.8235	3.5399	3.5399	2.8235
C4	1.7878	2.6260	2.6260		2.8086	1.0895	3.7445	1.0883	1.0883	2.9959	2.9959
C5	1.7878	2.6260	2.6260	2.8086		3.7445	1.0895	2.9959	2.9959	1.0883	1.0883
H6	2.3316	2.8661	2.8661	1.0895	3.7445		4.5696	1.7841	1.7841	3.9823	3.9823
H7	2.3316	2.8661	2.8661	3.7445	1.0895	4.5696		3.9823	3.9823	1.7841	1.7841
H8	2.3830	3.5399	2.8235	1.0883	2.9959	1.7841	3.9823		1.8040	3.3091	2.7740
H9	2.3830	2.8235	3.5399	1.0883	2.9959	1.7841	3.9823	1.8040		2.7740	3.3091
H10	2.3830	2.8235	3.5399	2.9959	1.0883	3.9823	1.7841	3.3091	2.7740		1.8040
H11	2.3830	3.5399	2.8235	2.9959	1.0883	3.9823	1.7841	2.7740	3.3091	1.8040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.680	S1	C4	H8	109.489
S1	C4	H9	109.489	S1	C5	H7	105.680
S1	C5	H10	109.489	S1	C5	H11	109.489
O2	S1	O3	120.811	O2	S1	C4	107.797
O2	S1	C5	107.797	O3	S1	C4	107.797
O3	S1	C5	107.797	C4	S1	C5	103.530
H6	C4	H8	110.011	H6	C4	H9	110.011
H7	C5	H10	110.011	H7	C5	H11	110.011
H8	C4	H9	111.964	H10	C5	H11	111.964

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	S	1.035
2	O	-0.523
3	O	-0.523
4	C	-0.853
5	C	-0.853
6	H	0.305
7	H	0.305
8	H	0.276
9	H	0.276
10	H	0.276
11	H	0.276

<r²>	127.859
(<r²>)^1/2	11.307

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

using model chemistry: M06-2X/6-311G*

States and conformations

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