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	hartrees
Energy at 0K	-627.661833
Energy at 298.15K
HF Energy	-626.545009
Nuclear repulsion energy	275.368076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3214	3051	0.03
2	A₁	3117	2960	1.07
3	A₁	1483	1408	3.29
4	A₁	1358	1290	26.13
5	A₁	1190	1129	144.56
6	A₁	1014	962	2.69
7	A₁	714	678	11.72
8	A₁	492	467	25.08
9	A₁	273	260	2.09
10	A₂	3225	3062	0.00
11	A₂	1471	1396	0.00
12	A₂	933	886	0.00
13	A₂	298	283	0.00
14	A₂	196	186	0.00
15	B₁	3229	3065	0.25
16	B₁	1489	1414	4.71
17	B₁	1384	1314	222.44
18	B₁	995	945	1.26
19	B₁	360	342	0.74
20	B₁	231	220	0.40
21	B₂	3212	3050	1.30
22	B₂	3116	2958	0.52
23	B₂	1473	1398	5.68
24	B₂	1342	1274	20.82
25	B₂	947	899	77.10
26	B₂	769	730	34.92
27	B₂	458	435	36.59

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.190
O2	-1.260	0.000	0.907
O3	1.260	0.000	0.907
C4	0.000	1.386	-0.911
C5	0.000	-1.386	-0.911
H6	0.000	2.262	-0.274
H7	0.000	-2.262	-0.274
H8	0.898	1.362	-1.515
H9	-0.898	1.362	-1.515
H10	-0.898	-1.362	-1.515
H11	0.898	-1.362	-1.515

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4494	1.4494	1.7700	1.7700	2.3087	2.3087	2.3597	2.3597	2.3597	2.3597
O2	1.4494		2.5194	2.6101	2.6101	2.8452	2.8452	3.5178	2.8022	2.8022	3.5178
O3	1.4494	2.5194		2.6101	2.6101	2.8452	2.8452	2.8022	3.5178	3.5178	2.8022
C4	1.7700	2.6101	2.6101		2.7715	1.0836	3.7028	1.0819	1.0819	2.9533	2.9533
C5	1.7700	2.6101	2.6101	2.7715		3.7028	1.0836	2.9533	2.9533	1.0819	1.0819
H6	2.3087	2.8452	2.8452	1.0836	3.7028		4.5234	1.7765	1.7765	3.9346	3.9346
H7	2.3087	2.8452	2.8452	3.7028	1.0836	4.5234		3.9346	3.9346	1.7765	1.7765
H8	2.3597	3.5178	2.8022	1.0819	2.9533	1.7765	3.9346		1.7950	3.2628	2.7247
H9	2.3597	2.8022	3.5178	1.0819	2.9533	1.7765	3.9346	1.7950		2.7247	3.2628
H10	2.3597	2.8022	3.5178	2.9533	1.0819	3.9346	1.7765	3.2628	2.7247		1.7950
H11	2.3597	3.5178	2.8022	2.9533	1.0819	3.9346	1.7765	2.7247	3.2628	1.7950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.468	S1	C4	H8	109.283
S1	C4	H9	109.283	S1	C5	H7	105.468
S1	C5	H10	109.283	S1	C5	H11	109.283
O2	S1	O3	120.705	O2	S1	C4	107.923
O2	S1	C5	107.923	O3	S1	C4	107.923
O3	S1	C5	107.923	C4	S1	C5	103.058
H6	C4	H8	110.239	H6	C4	H9	110.239
H7	C5	H10	110.239	H7	C5	H11	110.239
H8	C4	H9	112.106	H10	C5	H11	112.106

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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