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	hartrees
Energy at 0K	-628.052657
Energy at 298.15K
HF Energy	-627.770486
Nuclear repulsion energy	271.229427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3217	3059	0.33
2	A₁	3105	2953	2.40
3	A₁	1487	1414	4.13
4	A₁	1386	1318	9.92
5	A₁	1128	1073	170.03
6	A₁	1025	975	3.14
7	A₁	676	643	8.35
8	A₁	466	444	26.37
9	A₁	267	254	2.36
10	A₂	3217	3060	0.00
11	A₂	1476	1404	0.00
12	A₂	960	913	0.00
13	A₂	289	274	0.00
14	A₂	194	184	0.00
15	B₁	3221	3063	1.38
16	B₁	1492	1419	12.65
17	B₁	1298	1234	260.07
18	B₁	1014	964	0.05
19	B₁	353	336	1.31
20	B₁	223	213	0.41
21	B₂	3216	3058	0.78
22	B₂	3102	2950	0.03
23	B₂	1478	1405	7.50
24	B₂	1367	1300	10.71
25	B₂	968	920	51.85
26	B₂	753	716	47.84
27	B₂	442	420	37.77

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.190
O2	-1.281	0.000	0.918
O3	1.281	0.000	0.918
C4	0.000	1.414	-0.920
C5	0.000	-1.414	-0.920
H6	0.000	2.295	-0.278
H7	0.000	-2.295	-0.278
H8	0.901	1.394	-1.530
H9	-0.901	1.394	-1.530
H10	-0.901	-1.394	-1.530
H11	0.901	-1.394	-1.530

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4739	1.4739	1.7975	1.7975	2.3417	2.3417	2.3901	2.3901	2.3901	2.3901
O2	1.4739		2.5629	2.6493	2.6493	2.8875	2.8875	3.5635	2.8425	2.8425	3.5635
O3	1.4739	2.5629		2.6493	2.6493	2.8875	2.8875	2.8425	3.5635	3.5635	2.8425
C4	1.7975	2.6493	2.6493		2.8287	1.0891	3.7639	1.0885	1.0885	3.0118	3.0118
C5	1.7975	2.6493	2.6493	2.8287		3.7639	1.0891	3.0118	3.0118	1.0885	1.0885
H6	2.3417	2.8875	2.8875	1.0891	3.7639		4.5890	1.7860	1.7860	3.9979	3.9979
H7	2.3417	2.8875	2.8875	3.7639	1.0891	4.5890		3.9979	3.9979	1.7860	1.7860
H8	2.3901	3.5635	2.8425	1.0885	3.0118	1.7860	3.9979		1.8022	3.3196	2.7878
H9	2.3901	2.8425	3.5635	1.0885	3.0118	1.7860	3.9979	1.8022		2.7878	3.3196
H10	2.3901	2.8425	3.5635	3.0118	1.0885	3.9979	1.7860	3.3196	2.7878		1.8022
H11	2.3901	3.5635	2.8425	3.0118	1.0885	3.9979	1.7860	2.7878	3.3196	1.8022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.809	S1	C4	H8	109.347
S1	C4	H9	109.347	S1	C5	H7	105.809
S1	C5	H10	109.347	S1	C5	H11	109.347
O2	S1	O3	120.786	O2	S1	C4	107.753
O2	S1	C5	107.753	O3	S1	C4	107.753
O3	S1	C5	107.753	C4	S1	C5	103.781
H6	C4	H8	110.206	H6	C4	H9	110.206
H7	C5	H10	110.206	H7	C5	H11	110.206
H8	C4	H9	111.747	H10	C5	H11	111.747

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

using model chemistry: B2PLYP=FULL/6-31+G**

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/6-31+G**

States and conformations

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