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	hartrees
Energy at 0K	-627.475007
Energy at 298.15K
HF Energy	-626.460516
Nuclear repulsion energy	273.671604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3219	3049	0.17
2	A₁	3107	2942	1.66
3	A₁	1500	1420	6.21
4	A₁	1414	1339	25.16
5	A₁	1176	1114	191.59
6	A₁	1047	992	0.63
7	A₁	711	674	12.48
8	A₁	488	462	29.22
9	A₁	281	267	2.25
10	A₂	3227	3056	0.00
11	A₂	1484	1405	0.00
12	A₂	969	918	0.00
13	A₂	301	286	0.00
14	A₂	187	177	0.00
15	B₁	3231	3060	1.11
16	B₁	1502	1422	16.59
17	B₁	1373	1300	246.11
18	B₁	1033	978	2.00
19	B₁	371	351	1.16
20	B₁	225	213	0.66
21	B₂	3217	3047	0.82
22	B₂	3105	2940	0.04
23	B₂	1489	1411	7.97
24	B₂	1396	1322	31.65
25	B₂	987	935	68.75
26	B₂	776	735	48.68
27	B₂	465	440	40.64

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	-1.269	0.000	0.907
O3	1.269	0.000	0.907
C4	0.000	1.399	-0.913
C5	0.000	-1.399	-0.913
H6	0.000	2.282	-0.274
H7	0.000	-2.282	-0.274
H8	0.901	1.386	-1.524
H9	-0.901	1.386	-1.524
H10	-0.901	-1.386	-1.524
H11	0.901	-1.386	-1.524

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4560	1.4560	1.7827	1.7827	2.3289	2.3289	2.3830	2.3830	2.3830	2.3830
O2	1.4560		2.5374	2.6225	2.6225	2.8653	2.8653	3.5408	2.8221	2.8221	3.5408
O3	1.4560	2.5374		2.6225	2.6225	2.8653	2.8653	2.8221	3.5408	3.5408	2.8221
C4	1.7827	2.6225	2.6225		2.7975	1.0900	3.7356	1.0888	1.0888	2.9901	2.9901
C5	1.7827	2.6225	2.6225	2.7975		3.7356	1.0900	2.9901	2.9901	1.0888	1.0888
H6	2.3289	2.8653	2.8653	1.0900	3.7356		4.5635	1.7824	1.7824	3.9784	3.9784
H7	2.3289	2.8653	2.8653	3.7356	1.0900	4.5635		3.9784	3.9784	1.7824	1.7824
H8	2.3830	3.5408	2.8221	1.0888	2.9901	1.7824	3.9784		1.8024	3.3066	2.7721
H9	2.3830	2.8221	3.5408	1.0888	2.9901	1.7824	3.9784	1.8024		2.7721	3.3066
H10	2.3830	2.8221	3.5408	2.9901	1.0888	3.9784	1.7824	3.3066	2.7721		1.8024
H11	2.3830	3.5408	2.8221	2.9901	1.0888	3.9784	1.7824	2.7721	3.3066	1.8024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.790	S1	C4	H8	109.798
S1	C4	H9	109.798	S1	C5	H7	105.790
S1	C5	H10	109.798	S1	C5	H11	109.798
O2	S1	O3	121.230	O2	S1	C4	107.711
O2	S1	C5	107.711	O3	S1	C4	107.711
O3	S1	C5	107.711	C4	S1	C5	103.368
H6	C4	H8	109.778	H6	C4	H9	109.778
H7	C5	H10	109.778	H7	C5	H11	109.778
H8	C4	H9	111.725	H10	C5	H11	111.725

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

using model chemistry: MP2=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: MP2=FULL/6-311G*

States and conformations

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