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	hartrees
Energy at 0K	-623.303616
Energy at 298.15K
HF Energy	-623.303616
Nuclear repulsion energy	277.004296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3301	2979	0.43
2	A₁	3224	2910	0.83
3	A₁	1626	1468	5.91
4	A₁	1572	1419	30.94
5	A₁	1274	1150	226.31
6	A₁	1144	1033	0.70
7	A₁	780	704	12.90
8	A₁	553	499	43.37
9	A₁	320	289	2.95
10	A₂	3311	2989	0.00
11	A₂	1615	1458	0.00
12	A₂	1079	974	0.00
13	A₂	323	291	0.00
14	A₂	208	188	0.00
15	B₁	3317	2994	2.13
16	B₁	1632	1473	22.92
17	B₁	1487	1342	266.83
18	B₁	1141	1030	2.03
19	B₁	403	363	1.96
20	B₁	240	216	0.74
21	B₂	3299	2978	0.50
22	B₂	3221	2907	0.19
23	B₂	1615	1458	9.91
24	B₂	1558	1407	45.33
25	B₂	1088	982	97.16
26	B₂	859	776	68.42
27	B₂	498	449	61.88

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.187
O2	-1.242	0.000	0.912
O3	1.242	0.000	0.912
C4	0.000	1.372	-0.907
C5	0.000	-1.372	-0.907
H6	0.000	2.272	-0.304
H7	0.000	-2.272	-0.304
H8	0.888	1.366	-1.524
H9	-0.888	1.366	-1.524
H10	-0.888	-1.366	-1.524
H11	0.888	-1.366	-1.524

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4382	1.4382	1.7551	1.7551	2.3241	2.3241	2.3623	2.3623	2.3623	2.3623
O2	1.4382		2.4848	2.5950	2.5950	2.8604	2.8604	3.5120	2.8146	2.8146	3.5120
O3	1.4382	2.4848		2.5950	2.5950	2.8604	2.8604	2.8146	3.5120	3.5120	2.8146
C4	1.7551	2.5950	2.5950		2.7442	1.0829	3.6932	1.0809	1.0809	2.9434	2.9434
C5	1.7551	2.5950	2.5950	2.7442		3.6932	1.0829	2.9434	2.9434	1.0809	1.0809
H6	2.3241	2.8604	2.8604	1.0829	3.6932		4.5432	1.7596	1.7596	3.9377	3.9377
H7	2.3241	2.8604	2.8604	3.6932	1.0829	4.5432		3.9377	3.9377	1.7596	1.7596
H8	2.3623	3.5120	2.8146	1.0809	2.9434	1.7596	3.9377		1.7756	3.2578	2.7314
H9	2.3623	2.8146	3.5120	1.0809	2.9434	1.7596	3.9377	1.7756		2.7314	3.2578
H10	2.3623	2.8146	3.5120	2.9434	1.0809	3.9377	1.7596	3.2578	2.7314		1.7756
H11	2.3623	3.5120	2.8146	2.9434	1.0809	3.9377	1.7596	2.7314	3.2578	1.7756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	107.588	S1	C4	H8	110.552
S1	C4	H9	110.552	S1	C5	H7	107.588
S1	C5	H10	110.552	S1	C5	H11	110.552
O2	S1	O3	119.506	O2	S1	C4	108.306
O2	S1	C5	108.306	O3	S1	C4	108.306
O3	S1	C5	108.306	C4	S1	C5	102.850
H6	C4	H8	108.818	H6	C4	H9	108.818
H7	C5	H10	108.818	H7	C5	H11	108.818
H8	C4	H9	110.433	H10	C5	H11	110.433

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

using model chemistry: HF/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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Number	Element	Mulliken
1	S	1.495
2	O	-0.599
3	O	-0.599
4	C	-0.932
5	C	-0.932
6	H	0.281
7	H	0.281
8	H	0.251
9	H	0.251
10	H	0.251
11	H	0.251

<r²>	125.354
(<r²>)^1/2	11.196

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

using model chemistry: HF/3-21G*

States and conformations

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