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	hartrees
Energy at 0K	-624.855234
Energy at 298.15K
HF Energy	-624.655760
Nuclear repulsion energy	272.064204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3181	1.35
2	A₁	3096	3096	1.44
3	A₁	1548	1548	3.98
4	A₁	1453	1453	18.61
5	A₁	1173	1173	155.62
6	A₁	1056	1056	0.34
7	A₁	685	685	16.99
8	A₁	492	492	22.38
9	A₁	293	293	2.33
10	A₂	3186	3186	0.00
11	A₂	1533	1533	0.00
12	A₂	993	993	0.00
13	A₂	282	282	0.00
14	A₂	197	197	0.00
15	B₁	3191	3191	4.27
16	B₁	1549	1549	18.91
17	B₁	1384	1384	167.27
18	B₁	1050	1050	2.99
19	B₁	363	363	1.10
20	B₁	226	226	0.56
21	B₂	3179	3179	0.06
22	B₂	3093	3093	0.00
23	B₂	1537	1537	12.05
24	B₂	1439	1439	27.76
25	B₂	1000	1000	62.92
26	B₂	760	760	76.17
27	B₂	437	437	31.13

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.199
O2	-1.274	0.000	0.928
O3	1.274	0.000	0.928
C4	0.000	1.386	-0.931
C5	0.000	-1.386	-0.931
H6	0.000	2.294	-0.326
H7	0.000	-2.294	-0.326
H8	0.897	1.368	-1.552
H9	-0.897	1.368	-1.552
H10	-0.897	-1.368	-1.552
H11	0.897	-1.368	-1.552

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4679	1.4679	1.7885	1.7885	2.3538	2.3538	2.3966	2.3966	2.3966	2.3966
O2	1.4679		2.5488	2.6459	2.6459	2.9087	2.9087	3.5688	2.8572	2.8572	3.5688
O3	1.4679	2.5488		2.6459	2.6459	2.9087	2.9087	2.8572	3.5688	3.5688	2.8572
C4	1.7885	2.6459	2.6459		2.7711	1.0923	3.7295	1.0909	1.0909	2.9615	2.9615
C5	1.7885	2.6459	2.6459	2.7711		3.7295	1.0923	2.9615	2.9615	1.0909	1.0909
H6	2.3538	2.9087	2.9087	1.0923	3.7295		4.5890	1.7797	1.7797	3.9649	3.9649
H7	2.3538	2.9087	2.9087	3.7295	1.0923	4.5890		3.9649	3.9649	1.7797	1.7797
H8	2.3966	3.5688	2.8572	1.0909	2.9615	1.7797	3.9649		1.7939	3.2713	2.7355
H9	2.3966	2.8572	3.5688	1.0909	2.9615	1.7797	3.9649	1.7939		2.7355	3.2713
H10	2.3966	2.8572	3.5688	2.9615	1.0909	3.9649	1.7797	3.2713	2.7355		1.7939
H11	2.3966	3.5688	2.8572	2.9615	1.0909	3.9649	1.7797	2.7355	3.2713	1.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	107.099	S1	C4	H8	110.314
S1	C4	H9	110.314	S1	C5	H7	107.099
S1	C5	H10	110.314	S1	C5	H11	110.314
O2	S1	O3	120.501	O2	S1	C4	108.287
O2	S1	C5	108.287	O3	S1	C4	108.287
O3	S1	C5	108.287	C4	S1	C5	101.554
H6	C4	H8	109.212	H6	C4	H9	109.212
H7	C5	H10	109.212	H7	C5	H11	109.212
H8	C4	H9	110.610	H10	C5	H11	110.610

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/3-21G*

States and conformations

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