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	hartrees
Energy at 0K	-627.492407
Energy at 298.15K
HF Energy	-626.455976
Nuclear repulsion energy	276.995591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3249	3249	0.03
2	A₁	3142	3142	0.27
3	A₁	1502	1502	1.66
4	A₁	1400	1400	32.36
5	A₁	1237	1237	157.03
6	A₁	1038	1038	4.02
7	A₁	737	737	9.68
8	A₁	515	515	27.92
9	A₁	281	281	2.54
10	A₂	3253	3253	0.00
11	A₂	1492	1492	0.00
12	A₂	960	960	0.00
13	A₂	301	301	0.00
14	A₂	198	198	0.00
15	B₁	3257	3257	0.63
16	B₁	1510	1510	0.49
17	B₁	1446	1446	250.38
18	B₁	1020	1020	2.58
19	B₁	367	367	0.39
20	B₁	224	224	0.42
21	B₂	3247	3247	1.08
22	B₂	3140	3140	0.97
23	B₂	1492	1492	5.36
24	B₂	1384	1384	19.54
25	B₂	976	976	85.18
26	B₂	791	791	30.74
27	B₂	474	474	38.81

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	-1.242	0.000	0.902
O3	1.242	0.000	0.902
C4	0.000	1.384	-0.907
C5	0.000	-1.384	-0.907
H6	0.000	2.269	-0.276
H7	0.000	-2.269	-0.276
H8	0.897	1.366	-1.519
H9	-0.897	1.366	-1.519
H10	-0.897	-1.366	-1.519
H11	0.897	-1.366	-1.519

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4306	1.4306	1.7675	1.7675	2.3170	2.3170	2.3663	2.3663	2.3663	2.3663
O2	1.4306		2.4846	2.5944	2.5944	2.8426	2.8426	3.5076	2.8009	2.8009	3.5076
O3	1.4306	2.4846		2.5944	2.5944	2.8426	2.8426	2.8009	3.5076	3.5076	2.8009
C4	1.7675	2.5944	2.5944		2.7676	1.0871	3.7070	1.0860	1.0860	2.9563	2.9563
C5	1.7675	2.5944	2.5944	2.7676		3.7070	1.0871	2.9563	2.9563	1.0860	1.0860
H6	2.3170	2.8426	2.8426	1.0871	3.7070		4.5382	1.7790	1.7790	3.9449	3.9449
H7	2.3170	2.8426	2.8426	3.7070	1.0871	4.5382		3.9449	3.9449	1.7790	1.7790
H8	2.3663	3.5076	2.8009	1.0860	2.9563	1.7790	3.9449		1.7942	3.2683	2.7318
H9	2.3663	2.8009	3.5076	1.0860	2.9563	1.7790	3.9449	1.7942		2.7318	3.2683
H10	2.3663	2.8009	3.5076	2.9563	1.0860	3.9449	1.7790	3.2683	2.7318		1.7942
H11	2.3663	3.5076	2.8009	2.9563	1.0860	3.9449	1.7790	2.7318	3.2683	1.7942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.054	S1	C4	H8	109.730
S1	C4	H9	109.730	S1	C5	H7	106.054
S1	C5	H10	109.730	S1	C5	H11	109.730
O2	S1	O3	120.543	O2	S1	C4	107.969
O2	S1	C5	107.969	O3	S1	C4	107.969
O3	S1	C5	107.969	C4	S1	C5	103.057
H6	C4	H8	109.898	H6	C4	H9	109.898
H7	C5	H10	109.898	H7	C5	H11	109.898
H8	C4	H9	111.390	H10	C5	H11	111.390

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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