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	hartrees
Energy at 0K	-628.283779
Energy at 298.15K
HF Energy	-627.908097
Nuclear repulsion energy	273.320944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3179	3050	0.48
2	A₁	3083	2957	1.96
3	A₁	1477	1417	3.29
4	A₁	1359	1303	15.02
5	A₁	1141	1095	153.20
6	A₁	1014	973	0.00
7	A₁	675	647	9.64
8	A₁	474	455	23.30
9	A₁	266	255	2.47
10	A₂	3183	3054	0.00
11	A₂	1465	1405	0.00
12	A₂	940	902	0.00
13	A₂	291	279	0.00
14	A₂	176	168	0.00
15	B₁	3187	3058	1.20
16	B₁	1482	1422	7.84
17	B₁	1318	1265	243.39
18	B₁	995	955	0.39
19	B₁	351	337	0.39
20	B₁	211	202	0.36
21	B₂	3178	3049	0.84
22	B₂	3080	2955	0.08
23	B₂	1466	1407	6.01
24	B₂	1343	1289	11.88
25	B₂	950	911	57.72
26	B₂	742	712	39.56
27	B₂	446	428	33.96

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.187
O2	-1.264	0.000	0.915
O3	1.264	0.000	0.915
C4	0.000	1.407	-0.916
C5	0.000	-1.407	-0.916
H6	0.000	2.281	-0.271
H7	0.000	-2.281	-0.271
H8	0.899	1.385	-1.523
H9	-0.899	1.385	-1.523
H10	-0.899	-1.385	-1.523
H11	0.899	-1.385	-1.523

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4579	1.4579	1.7884	1.7884	2.3264	2.3264	2.3771	2.3771	2.3771	2.3771
O2	1.4579		2.5272	2.6323	2.6323	2.8643	2.8643	3.5407	2.8267	2.8267	3.5407
O3	1.4579	2.5272		2.6323	2.6323	2.8643	2.8643	2.8267	3.5407	3.5407	2.8267
C4	1.7884	2.6323	2.6323		2.8147	1.0861	3.7443	1.0851	1.0851	2.9953	2.9953
C5	1.7884	2.6323	2.6323	2.8147		3.7443	1.0861	2.9953	2.9953	1.0851	1.0851
H6	2.3264	2.8643	2.8643	1.0861	3.7443		4.5618	1.7833	1.7833	3.9765	3.9765
H7	2.3264	2.8643	2.8643	3.7443	1.0861	4.5618		3.9765	3.9765	1.7833	1.7833
H8	2.3771	3.5407	2.8267	1.0851	2.9953	1.7833	3.9765		1.7990	3.3022	2.7691
H9	2.3771	2.8267	3.5407	1.0851	2.9953	1.7833	3.9765	1.7990		2.7691	3.3022
H10	2.3771	2.8267	3.5407	2.9953	1.0851	3.9765	1.7833	3.3022	2.7691		1.7990
H11	2.3771	3.5407	2.8267	2.9953	1.0851	3.9765	1.7833	2.7691	3.3022	1.7990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.441	S1	C4	H8	109.171
S1	C4	H9	109.171	S1	C5	H7	105.441
S1	C5	H10	109.171	S1	C5	H11	109.171
O2	S1	O3	120.154	O2	S1	C4	107.926
O2	S1	C5	107.926	O3	S1	C4	107.926
O3	S1	C5	107.926	C4	S1	C5	103.801
H6	C4	H8	110.431	H6	C4	H9	110.431
H7	C5	H10	110.431	H7	C5	H11	110.431
H8	C4	H9	111.973	H10	C5	H11	111.973

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

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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