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	hartrees
Energy at 0K	-627.426005
Energy at 298.15K
HF Energy	-626.571310
Nuclear repulsion energy	278.824803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3287	3287	0.70
2	A₁	3186	3186	1.23
3	A₁	1536	1536	2.95
4	A₁	1445	1445	30.77
5	A₁	1268	1268	184.47
6	A₁	1068	1068	3.12
7	A₁	754	754	10.00
8	A₁	535	535	34.02
9	A₁	287	287	2.55
10	A₂	3293	3293	0.00
11	A₂	1522	1522	0.00
12	A₂	988	988	0.00
13	A₂	321	321	0.00
14	A₂	200	200	0.00
15	B₁	3298	3298	1.96
16	B₁	1540	1540	0.70
17	B₁	1467	1467	298.59
18	B₁	1051	1051	1.44
19	B₁	385	385	0.68
20	B₁	237	237	0.44
21	B₂	3285	3285	0.37
22	B₂	3184	3184	0.24
23	B₂	1526	1526	4.57
24	B₂	1429	1429	19.21
25	B₂	1001	1001	89.36
26	B₂	811	811	32.01
27	B₂	496	496	47.56

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.186
O2	-1.230	0.000	0.897
O3	1.230	0.000	0.897
C4	0.000	1.382	-0.898
C5	0.000	-1.382	-0.898
H6	0.000	2.256	-0.264
H7	0.000	-2.256	-0.264
H8	0.892	1.367	-1.504
H9	-0.892	1.367	-1.504
H10	-0.892	-1.367	-1.504
H11	0.892	-1.367	-1.504

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4207	1.4207	1.7567	1.7567	2.3008	2.3008	2.3495	2.3495	2.3495	2.3495
O2	1.4207		2.4599	2.5780	2.5780	2.8200	2.8200	3.4836	2.7836	2.7836	3.4836
O3	1.4207	2.4599		2.5780	2.5780	2.8200	2.8200	2.7836	3.4836	3.4836	2.7836
C4	1.7567	2.5780	2.5780		2.7643	1.0797	3.6932	1.0784	1.0784	2.9527	2.9527
C5	1.7567	2.5780	2.5780	2.7643		3.6932	1.0797	2.9527	2.9527	1.0784	1.0784
H6	2.3008	2.8200	2.8200	1.0797	3.6932		4.5125	1.7675	1.7675	3.9316	3.9316
H7	2.3008	2.8200	2.8200	3.6932	1.0797	4.5125		3.9316	3.9316	1.7675	1.7675
H8	2.3495	3.4836	2.7836	1.0784	2.9527	1.7675	3.9316		1.7835	3.2636	2.7331
H9	2.3495	2.7836	3.4836	1.0784	2.9527	1.7675	3.9316	1.7835		2.7331	3.2636
H10	2.3495	2.7836	3.4836	2.9527	1.0784	3.9316	1.7675	3.2636	2.7331		1.7835
H11	2.3495	3.4836	2.7836	2.9527	1.0784	3.9316	1.7675	2.7331	3.2636	1.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.944	S1	C4	H8	109.604
S1	C4	H9	109.604	S1	C5	H7	105.944
S1	C5	H10	109.604	S1	C5	H11	109.604
O2	S1	O3	119.936	O2	S1	C4	107.993
O2	S1	C5	107.993	O3	S1	C4	107.993
O3	S1	C5	107.993	C4	S1	C5	103.777
H6	C4	H8	109.978	H6	C4	H9	109.978
H7	C5	H10	109.978	H7	C5	H11	109.978
H8	C4	H9	111.576	H10	C5	H11	111.576

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

using model chemistry: CISD/Def2TZVPP

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: CISD/Def2TZVPP

States and conformations

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