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	hartrees
Energy at 0K	-627.297501
Energy at 298.15K
HF Energy	-626.433004
Nuclear repulsion energy	269.207494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3209	3077	0.17
2	A₁	3081	2955	2.36
3	A₁	1443	1384	3.14
4	A₁	1322	1267	14.37
5	A₁	1106	1061	147.70
6	A₁	997	956	0.20
7	A₁	681	653	7.46
8	A₁	450	431	23.48
9	A₁	262	251	2.30
10	A₂	3211	3079	0.00
11	A₂	1432	1373	0.00
12	A₂	919	881	0.00
13	A₂	283	271	0.00
14	A₂	170	163	0.00
15	B₁	3214	3082	0.58
16	B₁	1450	1391	8.18
17	B₁	1268	1216	251.68
18	B₁	972	932	0.19
19	B₁	341	327	0.58
20	B₁	204	196	0.30
21	B₂	3207	3076	0.96
22	B₂	3079	2953	0.06
23	B₂	1434	1375	5.81
24	B₂	1304	1251	10.22
25	B₂	934	896	49.04
26	B₂	742	711	31.69
27	B₂	435	417	36.48

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.187
O2	-1.299	0.000	0.926
O3	1.299	0.000	0.926
C4	0.000	1.414	-0.926
C5	0.000	-1.414	-0.926
H6	0.000	2.297	-0.272
H7	0.000	-2.297	-0.272
H8	0.913	1.382	-1.536
H9	-0.913	1.382	-1.536
H10	-0.913	-1.382	-1.536
H11	0.913	-1.382	-1.536

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4947	1.4947	1.7995	1.7995	2.3423	2.3423	2.3899	2.3899	2.3899	2.3899
O2	1.4947		2.5986	2.6678	2.6678	2.8979	2.8979	3.5867	2.8496	2.8496	3.5867
O3	1.4947	2.5986		2.6678	2.6678	2.8979	2.8979	2.8496	3.5867	3.5867	2.8496
C4	1.7995	2.6678	2.6678		2.8278	1.0990	3.7681	1.0985	1.0985	3.0035	3.0035
C5	1.7995	2.6678	2.6678	2.8278		3.7681	1.0990	3.0035	3.0035	1.0985	1.0985
H6	2.3423	2.8979	2.8979	1.0990	3.7681		4.5938	1.8083	1.8083	3.9955	3.9955
H7	2.3423	2.8979	2.8979	3.7681	1.0990	4.5938		3.9955	3.9955	1.8083	1.8083
H8	2.3899	3.5867	2.8496	1.0985	3.0035	1.8083	3.9955		1.8258	3.3120	2.7632
H9	2.3899	2.8496	3.5867	1.0985	3.0035	1.8083	3.9955	1.8258		2.7632	3.3120
H10	2.3899	2.8496	3.5867	3.0035	1.0985	3.9955	1.8083	3.3120	2.7632		1.8258
H11	2.3899	3.5867	2.8496	3.0035	1.0985	3.9955	1.8083	2.7632	3.3120	1.8258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.246	S1	C4	H8	108.691
S1	C4	H9	108.691	S1	C5	H7	105.246
S1	C5	H10	108.691	S1	C5	H11	108.691
O2	S1	O3	120.752	O2	S1	C4	107.804
O2	S1	C5	107.804	O3	S1	C4	107.804
O3	S1	C5	107.804	C4	S1	C5	103.576
H6	C4	H8	110.752	H6	C4	H9	110.752
H7	C5	H10	110.752	H7	C5	H11	110.752
H8	C4	H9	112.415	H10	C5	H11	112.415

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

using model chemistry: MP2/aug-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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All results from a given calculation for C2H6O2S (Dimethyl sulfone)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

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