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	hartrees
Energy at 0K	-628.429786
Energy at 298.15K
HF Energy	-628.429786
Nuclear repulsion energy	273.490243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3186	3059	0.43
2	A₁	3079	2957	1.46
3	A₁	1453	1395	5.17
4	A₁	1351	1297	23.38
5	A₁	1150	1104	184.11
6	A₁	1007	967	1.33
7	A₁	678	651	11.24
8	A₁	476	457	27.27
9	A₁	265	254	2.38
10	A₂	3191	3064	0.00
11	A₂	1438	1381	0.00
12	A₂	926	889	0.00
13	A₂	287	275	0.00
14	A₂	179	172	0.00
15	B₁	3195	3068	1.92
16	B₁	1454	1396	12.81
17	B₁	1345	1291	241.90
18	B₁	990	950	1.60
19	B₁	350	336	0.60
20	B₁	211	203	0.62
21	B₂	3185	3058	0.68
22	B₂	3077	2954	0.13
23	B₂	1442	1385	7.21
24	B₂	1331	1278	19.73
25	B₂	946	908	73.75
26	B₂	740	711	46.00
27	B₂	448	430	38.38

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
O2	-1.265	0.000	0.909
O3	1.265	0.000	0.909
C4	0.000	1.407	-0.914
C5	0.000	-1.407	-0.914
H6	0.000	2.283	-0.268
H7	0.000	-2.283	-0.268
H8	0.901	1.392	-1.523
H9	-0.901	1.392	-1.523
H10	-0.901	-1.392	-1.523
H11	0.901	-1.392	-1.523

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4544	1.4544	1.7889	1.7889	2.3283	2.3283	2.3847	2.3847	2.3847	2.3847
O2	1.4544		2.5291	2.6274	2.6274	2.8627	2.8627	3.5418	2.8257	2.8257	3.5418
O3	1.4544	2.5291		2.6274	2.6274	2.8627	2.8627	2.8257	3.5418	3.5418	2.8257
C4	1.7889	2.6274	2.6274		2.8136	1.0885	3.7456	1.0876	1.0876	3.0029	3.0029
C5	1.7889	2.6274	2.6274	2.8136		3.7456	1.0885	3.0029	3.0029	1.0876	1.0876
H6	2.3283	2.8627	2.8627	1.0885	3.7456		4.5653	1.7831	1.7831	3.9865	3.9865
H7	2.3283	2.8627	2.8627	3.7456	1.0885	4.5653		3.9865	3.9865	1.7831	1.7831
H8	2.3847	3.5418	2.8257	1.0876	3.0029	1.7831	3.9865		1.8027	3.3172	2.7847
H9	2.3847	2.8257	3.5418	1.0876	3.0029	1.7831	3.9865	1.8027		2.7847	3.3172
H10	2.3847	2.8257	3.5418	3.0029	1.0876	3.9865	1.7831	3.3172	2.7847		1.8027
H11	2.3847	3.5418	2.8257	3.0029	1.0876	3.9865	1.7831	2.7847	3.3172	1.8027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.424	S1	C4	H8	109.580
S1	C4	H9	109.580	S1	C5	H7	105.424
S1	C5	H10	109.580	S1	C5	H11	109.580
O2	S1	O3	120.791	O2	S1	C4	107.768
O2	S1	C5	107.768	O3	S1	C4	107.768
O3	S1	C5	107.768	C4	S1	C5	103.701
H6	C4	H8	110.052	H6	C4	H9	110.052
H7	C5	H10	110.052	H7	C5	H11	110.052
H8	C4	H9	111.946	H10	C5	H11	111.946

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

using model chemistry: B1B95/6-311G**

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	0.890
2	O	-0.490
3	O	-0.490
4	C	-0.505
5	C	-0.505
6	H	0.201
7	H	0.201
8	H	0.174
9	H	0.174
10	H	0.174
11	H	0.174

<r²>	127.715
(<r²>)^1/2	11.301

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

using model chemistry: B1B95/6-311G**

States and conformations

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