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	hartrees
Energy at 0K	-628.027496
Energy at 298.15K
HF Energy	-628.027496
Nuclear repulsion energy	256.054591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3250	3250	2.54
2	A₁	3124	3124	0.45
3	A₁	1493	1493	8.17
4	A₁	1409	1409	6.81
5	A₁	1091	1091	43.61
6	A₁	833	833	32.08
7	A₁	628	628	2.05
8	A₁	363	363	27.49
9	A₁	229	229	4.17
10	A₂	3251	3251	0.00
11	A₂	1499	1499	0.00
12	A₂	995	995	0.00
13	A₂	218	218	0.00
14	A₂	166	166	0.00
15	B₁	3253	3253	1.18
16	B₁	1511	1511	40.82
17	B₁	1103	1103	47.68
18	B₁	934	934	11.75
19	B₁	281	281	0.97
20	B₁	191	191	0.66
21	B₂	3249	3249	5.34
22	B₂	3124	3124	1.67
23	B₂	1482	1482	18.16
24	B₂	1383	1383	3.10
25	B₂	997	997	18.88
26	B₂	721	721	23.29
27	B₂	324	324	46.37

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.170
O2	-1.416	0.000	0.980
O3	1.416	0.000	0.980
C4	0.000	1.461	-0.961
C5	0.000	-1.461	-0.961
H6	0.000	2.334	-0.312
H7	0.000	-2.334	-0.312
H8	0.907	1.420	-1.561
H9	-0.907	1.420	-1.561
H10	-0.907	-1.420	-1.561
H11	0.907	-1.420	-1.561

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6307	1.6307	1.8477	1.8477	2.3836	2.3836	2.4158	2.4158	2.4158	2.4158
O2	1.6307		2.8312	2.8116	2.8116	3.0200	3.0200	3.7236	2.9548	2.9548	3.7236
O3	1.6307	2.8312		2.8116	2.8116	3.0200	3.0200	2.9548	3.7236	3.7236	2.9548
C4	1.8477	2.8116	2.8116		2.9219	1.0885	3.8505	1.0881	1.0881	3.0794	3.0794
C5	1.8477	2.8116	2.8116	2.9219		3.8505	1.0885	3.0794	3.0794	1.0881	1.0881
H6	2.3836	3.0200	3.0200	1.0885	3.8505		4.6688	1.7943	1.7943	4.0595	4.0595
H7	2.3836	3.0200	3.0200	3.8505	1.0885	4.6688		4.0595	4.0595	1.7943	1.7943
H8	2.4158	3.7236	2.9548	1.0881	3.0794	1.7943	4.0595		1.8136	3.3698	2.8402
H9	2.4158	2.9548	3.7236	1.0881	3.0794	1.7943	4.0595	1.8136		2.8402	3.3698
H10	2.4158	2.9548	3.7236	3.0794	1.0881	4.0595	1.7943	3.3698	2.8402		1.8136
H11	2.4158	3.7236	2.9548	3.0794	1.0881	4.0595	1.7943	2.8402	3.3698	1.8136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.614	S1	C4	H8	107.933
S1	C4	H9	107.933	S1	C5	H7	105.614
S1	C5	H10	107.933	S1	C5	H11	107.933
O2	S1	O3	120.474	O2	S1	C4	107.694
O2	S1	C5	107.694	O3	S1	C4	107.694
O3	S1	C5	107.694	C4	S1	C5	104.495
H6	C4	H8	111.048	H6	C4	H9	111.048
H7	C5	H10	111.048	H7	C5	H11	111.048
H8	C4	H9	112.899	H10	C5	H11	112.899

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

using model chemistry: M06-2X/6-31G

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	1.160
2	O	-0.624
3	O	-0.624
4	C	-0.670
5	C	-0.670
6	H	0.262
7	H	0.262
8	H	0.226
9	H	0.226
10	H	0.226
11	H	0.226

<r²>	141.427
(<r²>)^1/2	11.892

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

using model chemistry: M06-2X/6-31G

States and conformations

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