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	hartrees
Energy at 0K	-628.486203
Energy at 298.15K
HF Energy	-628.486203
Nuclear repulsion energy	271.313248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3163	3056	2.11
2	A₁	3066	2963	2.79
3	A₁	1477	1427	4.72
4	A₁	1376	1329	15.92
5	A₁	1125	1087	185.10
6	A₁	1018	983	0.66
7	A₁	652	630	12.58
8	A₁	469	453	25.63
9	A₁	268	259	2.41
10	A₂	3167	3060	0.00
11	A₂	1464	1415	0.00
12	A₂	948	916	0.00
13	A₂	287	277	0.00
14	A₂	184	178	0.00
15	B₁	3171	3064	5.76
16	B₁	1481	1431	16.66
17	B₁	1308	1263	230.87
18	B₁	1006	972	0.57
19	B₁	352	341	0.69
20	B₁	213	206	0.62
21	B₂	3161	3055	0.08
22	B₂	3063	2960	0.26
23	B₂	1467	1418	8.20
24	B₂	1356	1310	15.61
25	B₂	959	927	60.39
26	B₂	722	698	55.45
27	B₂	441	426	36.40

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.194
O2	-1.273	0.000	0.917
O3	1.273	0.000	0.917
C4	0.000	1.422	-0.924
C5	0.000	-1.422	-0.924
H6	0.000	2.301	-0.280
H7	0.000	-2.301	-0.280
H8	0.901	1.408	-1.535
H9	-0.901	1.408	-1.535
H10	-0.901	-1.408	-1.535
H11	0.901	-1.408	-1.535

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4642	1.4642	1.8087	1.8087	2.3495	2.3495	2.4051	2.4051	2.4051	2.4051
O2	1.4642		2.5461	2.6518	2.6518	2.8896	2.8896	3.5671	2.8520	2.8520	3.5671
O3	1.4642	2.5461		2.6518	2.6518	2.8896	2.8896	2.8520	3.5671	3.5671	2.8520
C4	1.8087	2.6518	2.6518		2.8437	1.0897	3.7782	1.0890	1.0890	3.0325	3.0325
C5	1.8087	2.6518	2.6518	2.8437		3.7782	1.0897	3.0325	3.0325	1.0890	1.0890
H6	2.3495	2.8896	2.8896	1.0897	3.7782		4.6023	1.7842	1.7842	4.0183	4.0183
H7	2.3495	2.8896	2.8896	3.7782	1.0897	4.6023		4.0183	4.0183	1.7842	1.7842
H8	2.4051	3.5671	2.8520	1.0890	3.0325	1.7842	4.0183		1.8030	3.3444	2.8168
H9	2.4051	2.8520	3.5671	1.0890	3.0325	1.7842	4.0183	1.8030		2.8168	3.3444
H10	2.4051	2.8520	3.5671	3.0325	1.0890	4.0183	1.7842	3.3444	2.8168		1.8030
H11	2.4051	3.5671	2.8520	3.0325	1.0890	4.0183	1.7842	2.8168	3.3444	1.8030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.620	S1	C4	H8	109.693
S1	C4	H9	109.693	S1	C5	H7	105.620
S1	C5	H10	109.693	S1	C5	H11	109.693
O2	S1	O3	120.798	O2	S1	C4	107.776
O2	S1	C5	107.776	O3	S1	C4	107.776
O3	S1	C5	107.776	C4	S1	C5	103.648
H6	C4	H8	109.953	H6	C4	H9	109.953
H7	C5	H10	109.953	H7	C5	H11	109.953
H8	C4	H9	111.747	H10	C5	H11	111.747

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

using model chemistry: B3LYP/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	0.999
2	O	-0.499
3	O	-0.499
4	C	-0.795
5	C	-0.795
6	H	0.284
7	H	0.284
8	H	0.256
9	H	0.256
10	H	0.256
11	H	0.256

	x	y	z	Total
	0.000	0.000	-4.907	4.907
CHELPG
AIM
ESP	0.004	0.000	-4.923	4.923

<r²>	129.849
(<r²>)^1/2	11.395

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

using model chemistry: B3LYP/6-311G*

States and conformations

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