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	hartrees
Energy at 0K	-626.208602
Energy at 298.15K
HF Energy	-626.208602
Nuclear repulsion energy	272.442922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3127	3069	0.31
2	A₁	3010	2954	0.10
3	A₁	1398	1372	3.63
4	A₁	1293	1269	32.96
5	A₁	1143	1121	137.93
6	A₁	976	958	5.90
7	A₁	679	666	11.53
8	A₁	467	458	20.51
9	A₁	259	254	2.85
10	A₂	3128	3069	0.00
11	A₂	1384	1358	0.00
12	A₂	891	874	0.00
13	A₂	269	264	0.00
14	A₂	188	185	0.00
15	B₁	3131	3072	0.00
16	B₁	1405	1379	3.76
17	B₁	1344	1319	207.66
18	B₁	954	936	4.38
19	B₁	343	337	0.11
20	B₁	220	216	0.60
21	B₂	3127	3068	3.67
22	B₂	3008	2952	3.13
23	B₂	1386	1360	10.66
24	B₂	1273	1249	35.05
25	B₂	914	897	84.64
26	B₂	733	720	37.16
27	B₂	427	419	28.14

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
O2	-1.277	0.000	0.914
O3	1.277	0.000	0.914
C4	0.000	1.396	-0.916
C5	0.000	-1.396	-0.916
H6	0.000	2.287	-0.271
H7	0.000	-2.287	-0.271
H8	0.910	1.382	-1.535
H9	-0.910	1.382	-1.535
H10	-0.910	-1.382	-1.535
H11	0.910	-1.382	-1.535

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4675	1.4675	1.7815	1.7815	2.3331	2.3331	2.3902	2.3902	2.3902	2.3902
O2	1.4675		2.5540	2.6322	2.6322	2.8748	2.8748	3.5617	2.8353	2.8353	3.5617
O3	1.4675	2.5540		2.6322	2.6322	2.8748	2.8748	2.8353	3.5617	3.5617	2.8353
C4	1.7815	2.6322	2.6322		2.7915	1.1007	3.7390	1.1000	1.1000	2.9872	2.9872
C5	1.7815	2.6322	2.6322	2.7915		3.7390	1.1007	2.9872	2.9872	1.1000	1.1000
H6	2.3331	2.8748	2.8748	1.1007	3.7390		4.5742	1.8014	1.8014	3.9855	3.9855
H7	2.3331	2.8748	2.8748	3.7390	1.1007	4.5742		3.9855	3.9855	1.8014	1.8014
H8	2.3902	3.5617	2.8353	1.1000	2.9872	1.8014	3.9855		1.8195	3.3084	2.7632
H9	2.3902	2.8353	3.5617	1.1000	2.9872	1.8014	3.9855	1.8195		2.7632	3.3084
H10	2.3902	2.8353	3.5617	2.9872	1.1000	3.9855	1.8014	3.3084	2.7632		1.8195
H11	2.3902	3.5617	2.8353	2.9872	1.1000	3.9855	1.8014	2.7632	3.3084	1.8195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.658	S1	C4	H8	109.828
S1	C4	H9	109.828	S1	C5	H7	105.658
S1	C5	H10	109.828	S1	C5	H11	109.828
O2	S1	O3	120.952	O2	S1	C4	107.833
O2	S1	C5	107.833	O3	S1	C4	107.833
O3	S1	C5	107.833	C4	S1	C5	103.158
H6	C4	H8	109.884	H6	C4	H9	109.884
H7	C5	H10	109.884	H7	C5	H11	109.884
H8	C4	H9	111.588	H10	C5	H11	111.588

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

using model chemistry: LSDA/6-31G**

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	0.878
2	O	-0.452
3	O	-0.452
4	C	-0.596
5	C	-0.596
6	H	0.222
7	H	0.222
8	H	0.194
9	H	0.194
10	H	0.194
11	H	0.194

<r²>	127.722
(<r²>)^1/2	11.301

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

using model chemistry: LSDA/6-31G**

States and conformations

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