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	hartrees
Energy at 0K	-627.389328
Energy at 298.15K
HF Energy	-626.431888
Nuclear repulsion energy	268.305594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3168	3073
2	A₁	3047	2956
3	A₁	1435	1392
4	A₁	1318	1278
5	A₁	1076	1043
6	A₁	981	951
7	A₁	660	640
8	A₁	443	429
9	A₁	258	251
10	A₂	3164	3069
11	A₂	1426	1383
12	A₂	914	887
13	A₂	280	272
14	A₂	162	157
15	B₁	3167	3072
16	B₁	1443	1400
17	B₁	1235	1198
18	B₁	963	934
19	B₁	336	326
20	B₁	190	184
21	B₂	3167	3072
22	B₂	3045	2954
23	B₂	1428	1385
24	B₂	1301	1262
25	B₂	926	898
26	B₂	725	703
27	B₂	425	413

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.302	0.000	0.930
O3	1.302	0.000	0.930
C4	0.000	1.420	-0.931
C5	0.000	-1.420	-0.931
H6	0.000	2.307	-0.277
H7	0.000	-2.307	-0.277
H8	0.915	1.385	-1.543
H9	-0.915	1.385	-1.543
H10	-0.915	-1.385	-1.543
H11	0.915	-1.385	-1.543

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4978	1.4978	1.8087	1.8087	2.3533	2.3533	2.3990	2.3990	2.3990	2.3990
O2	1.4978		2.6038	2.6783	2.6783	2.9107	2.9107	3.5980	2.8603	2.8603	3.5980
O3	1.4978	2.6038		2.6783	2.6783	2.9107	2.9107	2.8603	3.5980	3.5980	2.8603
C4	1.8087	2.6783	2.6783		2.8408	1.1012	3.7839	1.1012	1.1012	3.0138	3.0138
C5	1.8087	2.6783	2.6783	2.8408		3.7839	1.1012	3.0138	3.0138	1.1012	1.1012
H6	2.3533	2.9107	2.9107	1.1012	3.7839		4.6134	1.8131	1.8131	4.0086	4.0086
H7	2.3533	2.9107	2.9107	3.7839	1.1012	4.6134		4.0086	4.0086	1.8131	1.8131
H8	2.3990	3.5980	2.8603	1.1012	3.0138	1.8131	4.0086		1.8297	3.3202	2.7705
H9	2.3990	2.8603	3.5980	1.1012	3.0138	1.8131	4.0086	1.8297		2.7705	3.3202
H10	2.3990	2.8603	3.5980	3.0138	1.1012	4.0086	1.8131	3.3202	2.7705		1.8297
H11	2.3990	3.5980	2.8603	3.0138	1.1012	4.0086	1.8131	2.7705	3.3202	1.8297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.346	S1	C4	H8	108.602
S1	C4	H9	108.602	S1	C5	H7	105.346
S1	C5	H10	108.602	S1	C5	H11	108.602
O2	S1	O3	120.737	O2	S1	C4	107.825
O2	S1	C5	107.825	O3	S1	C4	107.825
O3	S1	C5	107.825	C4	S1	C5	103.496
H6	C4	H8	110.822	H6	C4	H9	110.822
H7	C5	H10	110.822	H7	C5	H11	110.822
H8	C4	H9	112.356	H10	C5	H11	112.356

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

using model chemistry: QCISD(T)=FULL/aug-cc-pVDZ

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: QCISD(T)=FULL/aug-cc-pVDZ

States and conformations

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