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	hartrees
Energy at 0K	-627.320349
Energy at 298.15K
HF Energy	-626.433484
Nuclear repulsion energy	269.571095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3116	0.15
2	A₁	3086	2991	2.27
3	A₁	1445	1400	3.25
4	A₁	1323	1282	15.19
5	A₁	1111	1077	147.85
6	A₁	997	966	0.04
7	A₁	682	661	7.63
8	A₁	452	438	23.48
9	A₁	263	255	2.32
10	A₂	3216	3117	0.00
11	A₂	1434	1389	0.00
12	A₂	919	890	0.00
13	A₂	285	276	0.00
14	A₂	170	165	0.00
15	B₁	3219	3120	0.52
16	B₁	1451	1407	8.18
17	B₁	1275	1236	252.11
18	B₁	971	941	0.30
19	B₁	342	332	0.58
20	B₁	205	198	0.30
21	B₂	3213	3114	1.02
22	B₂	3084	2989	0.08
23	B₂	1435	1391	5.85
24	B₂	1306	1266	10.86
25	B₂	934	905	50.22
26	B₂	742	719	31.67
27	B₂	437	423	36.39

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.187
O2	-1.298	0.000	0.924
O3	1.298	0.000	0.924
C4	0.000	1.412	-0.925
C5	0.000	-1.412	-0.925
H6	0.000	2.295	-0.272
H7	0.000	-2.295	-0.272
H8	0.912	1.380	-1.535
H9	-0.912	1.380	-1.535
H10	-0.912	-1.380	-1.535
H11	0.912	-1.380	-1.535

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4925	1.4925	1.7970	1.7970	2.3399	2.3399	2.3873	2.3873	2.3873	2.3873
O2	1.4925		2.5951	2.6640	2.6640	2.8947	2.8947	3.5823	2.8459	2.8459	3.5823
O3	1.4925	2.5951		2.6640	2.6640	2.8947	2.8947	2.8459	3.5823	3.5823	2.8459
C4	1.7970	2.6640	2.6640		2.8236	1.0980	3.7634	1.0975	1.0975	2.9993	2.9993
C5	1.7970	2.6640	2.6640	2.8236		3.7634	1.0980	2.9993	2.9993	1.0975	1.0975
H6	2.3399	2.8947	2.8947	1.0980	3.7634		4.5890	1.8065	1.8065	3.9908	3.9908
H7	2.3399	2.8947	2.8947	3.7634	1.0980	4.5890		3.9908	3.9908	1.8065	1.8065
H8	2.3873	3.5823	2.8459	1.0975	2.9993	1.8065	3.9908		1.8240	3.3078	2.7594
H9	2.3873	2.8459	3.5823	1.0975	2.9993	1.8065	3.9908	1.8240		2.7594	3.3078
H10	2.3873	2.8459	3.5823	2.9993	1.0975	3.9908	1.8065	3.3078	2.7594		1.8240
H11	2.3873	3.5823	2.8459	2.9993	1.0975	3.9908	1.8065	2.7594	3.3078	1.8240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.283	S1	C4	H8	108.710
S1	C4	H9	108.710	S1	C5	H7	105.283
S1	C5	H10	108.710	S1	C5	H11	108.710
O2	S1	O3	120.772	O2	S1	C4	107.802
O2	S1	C5	107.802	O3	S1	C4	107.802
O3	S1	C5	107.802	C4	S1	C5	103.560
H6	C4	H8	110.730	H6	C4	H9	110.730
H7	C5	H10	110.730	H7	C5	H11	110.730
H8	C4	H9	112.391	H10	C5	H11	112.391

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

using model chemistry: MP2=FULL/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=FULL/aug-cc-pVDZ

States and conformations

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