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	hartrees
Energy at 0K	-623.885229
Energy at 298.15K
HF Energy	-623.301631
Nuclear repulsion energy	273.697865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	3177	1.45
2	A₁	3096	3096	0.93
3	A₁	1558	1558	4.22
4	A₁	1476	1476	22.51
5	A₁	1213	1213	184.15
6	A₁	1081	1081	0.00
7	A₁	720	720	16.84
8	A₁	519	519	28.62
9	A₁	304	304	2.25
10	A₂	3183	3183	0.00
11	A₂	1543	1543	0.00
12	A₂	1012	1012	0.00
13	A₂	297	297	0.00
14	A₂	205	205	0.00
15	B₁	3187	3187	4.62
16	B₁	1559	1559	16.32
17	B₁	1433	1433	214.21
18	B₁	1076	1076	1.96
19	B₁	377	377	1.70
20	B₁	233	233	0.57
21	B₂	3176	3176	0.00
22	B₂	3093	3093	0.03
23	B₂	1549	1549	10.05
24	B₂	1462	1462	30.93
25	B₂	1022	1022	70.48
26	B₂	790	790	72.68
27	B₂	460	460	40.46

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.197
O2	-1.262	0.000	0.922
O3	1.262	0.000	0.922
C4	0.000	1.382	-0.924
C5	0.000	-1.382	-0.924
H6	0.000	2.293	-0.317
H7	0.000	-2.293	-0.317
H8	0.899	1.362	-1.546
H9	-0.899	1.362	-1.546
H10	-0.899	-1.362	-1.546
H11	0.899	-1.362	-1.546

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4551	1.4551	1.7793	1.7793	2.3496	2.3496	2.3879	2.3879	2.3879	2.3879
O2	1.4551		2.5231	2.6285	2.6285	2.8954	2.8954	3.5518	2.8426	2.8426	3.5518
O3	1.4551	2.5231		2.6285	2.6285	2.8954	2.8954	2.8426	3.5518	3.5518	2.8426
C4	1.7793	2.6285	2.6285		2.7634	1.0947	3.7242	1.0933	1.0933	2.9536	2.9536
C5	1.7793	2.6285	2.6285	2.7634		3.7242	1.0947	2.9536	2.9536	1.0933	1.0933
H6	2.3496	2.8954	2.8954	1.0947	3.7242		4.5853	1.7845	1.7845	3.9594	3.9594
H7	2.3496	2.8954	2.8954	3.7242	1.0947	4.5853		3.9594	3.9594	1.7845	1.7845
H8	2.3879	3.5518	2.8426	1.0933	2.9536	1.7845	3.9594		1.7975	3.2639	2.7244
H9	2.3879	2.8426	3.5518	1.0933	2.9536	1.7845	3.9594	1.7975		2.7244	3.2639
H10	2.3879	2.8426	3.5518	2.9536	1.0933	3.9594	1.7845	3.2639	2.7244		1.7975
H11	2.3879	3.5518	2.8426	2.9536	1.0933	3.9594	1.7845	2.7244	3.2639	1.7975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	107.270	S1	C4	H8	110.165
S1	C4	H9	110.165	S1	C5	H7	107.270
S1	C5	H10	110.165	S1	C5	H11	110.165
O2	S1	O3	120.220	O2	S1	C4	108.299
O2	S1	C5	108.299	O3	S1	C4	108.299
O3	S1	C5	108.299	C4	S1	C5	101.893
H6	C4	H8	109.295	H6	C4	H9	109.295
H7	C5	H10	109.295	H7	C5	H11	109.295
H8	C4	H9	110.581	H10	C5	H11	110.581

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

using model chemistry: MP3=FULL/3-21G*

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: MP3=FULL/3-21G*

States and conformations

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