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	hartrees
Energy at 0K	-622.869643
Energy at 298.15K
HF Energy	-622.869643
Nuclear repulsion energy	258.436915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3153	3101	1.15
2	A₁	3029	2979	0.05
3	A₁	1440	1416	6.09
4	A₁	1320	1298	25.09
5	A₁	1037	1020	83.61
6	A₁	933	918	9.84
7	A₁	573	563	23.26
8	A₁	405	399	13.10
9	A₁	238	234	1.69
10	A₂	3151	3099	0.00
11	A₂	1436	1412	0.00
12	A₂	898	883	0.00
13	A₂	190	187	0.00
14	A₂	132	130	0.00
15	B₁	3154	3102	0.54
16	B₁	1454	1430	40.07
17	B₁	1180	1161	80.30
18	B₁	940	924	2.32
19	B₁	273	269	0.78
20	B₁	173	170	0.29
21	B₂	3152	3100	2.51
22	B₂	3026	2977	4.39
23	B₂	1425	1402	23.25
24	B₂	1296	1275	22.67
25	B₂	916	901	34.33
26	B₂	632	622	73.72
27	B₂	312	307	20.27

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.206
O2	-1.364	0.000	1.003
O3	1.364	0.000	1.003
C4	0.000	1.421	-1.006
C5	0.000	-1.421	-1.006
H6	0.000	2.342	-0.406
H7	0.000	-2.342	-0.406
H8	0.914	1.346	-1.613
H9	-0.914	1.346	-1.613
H10	-0.914	-1.346	-1.613
H11	0.914	-1.346	-1.613

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.5795	1.5795	1.8678	1.8678	2.4208	2.4208	2.4397	2.4397	2.4397	2.4397
O2	1.5795		2.7275	2.8133	2.8133	3.0544	3.0544	3.7198	2.9753	2.9753	3.7198
O3	1.5795	2.7275		2.8133	2.8133	3.0544	3.0544	2.9753	3.7198	3.7198	2.9753
C4	1.8678	2.8133	2.8133		2.8425	1.0993	3.8110	1.0993	1.0993	2.9764	2.9764
C5	1.8678	2.8133	2.8133	2.8425		3.8110	1.0993	2.9764	2.9764	1.0993	1.0993
H6	2.4208	3.0544	3.0544	1.0993	3.8110		4.6844	1.8121	1.8121	3.9864	3.9864
H7	2.4208	3.0544	3.0544	3.8110	1.0993	4.6844		3.9864	3.9864	1.8121	1.8121
H8	2.4397	3.7198	2.9753	1.0993	2.9764	1.8121	3.9864		1.8275	3.2533	2.6915
H9	2.4397	2.9753	3.7198	1.0993	2.9764	1.8121	3.9864	1.8275		2.6915	3.2533
H10	2.4397	2.9753	3.7198	2.9764	1.0993	3.9864	1.8121	3.2533	2.6915		1.8275
H11	2.4397	3.7198	2.9753	2.9764	1.0993	3.9864	1.8121	2.6915	3.2533	1.8275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.453	S1	C4	H8	107.800
S1	C4	H9	107.800	S1	C5	H7	106.453
S1	C5	H10	107.800	S1	C5	H11	107.800
O2	S1	O3	119.408	O2	S1	C4	109.107
O2	S1	C5	109.107	O3	S1	C4	109.107
O3	S1	C5	109.107	C4	S1	C5	99.090
H6	C4	H8	111.023	H6	C4	H9	111.023
H7	C5	H10	111.023	H7	C5	H11	111.023
H8	C4	H9	112.450	H10	C5	H11	112.450

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

using model chemistry: LSDA/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	1.229
2	O	-0.507
3	O	-0.507
4	C	-0.946
5	C	-0.946
6	H	0.298
7	H	0.298
8	H	0.270
9	H	0.270
10	H	0.270
11	H	0.270

<r²>	139.299
(<r²>)^1/2	11.803

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

using model chemistry: LSDA/3-21G

States and conformations

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