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	hartrees
Energy at 0K	-627.611356
Energy at 298.15K
HF Energy	-626.567227
Nuclear repulsion energy	276.455996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3185	3185	1.04
2	A₁	3085	3085	1.55
3	A₁	1482	1482	2.72
4	A₁	1379	1379	27.31
5	A₁	1218	1218	155.04
6	A₁	1025	1025	2.60
7	A₁	719	719	10.82
8	A₁	510	510	28.18
9	A₁	276	276	2.17
10	A₂	3191	3191	0.00
11	A₂	1468	1468	0.00
12	A₂	948	948	0.00
13	A₂	306	306	0.00
14	A₂	187	187	0.00
15	B₁	3195	3195	2.57
16	B₁	1487	1487	0.35
17	B₁	1419	1419	244.58
18	B₁	1009	1009	1.11
19	B₁	369	369	0.69
20	B₁	225	225	0.47
21	B₂	3184	3184	0.22
22	B₂	3083	3083	0.03
23	B₂	1472	1472	4.62
24	B₂	1362	1362	16.73
25	B₂	961	961	79.49
26	B₂	775	775	34.30
27	B₂	473	473	40.09

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
O2	-1.244	0.000	0.903
O3	1.244	0.000	0.903
C4	0.000	1.389	-0.908
C5	0.000	-1.389	-0.908
H6	0.000	2.272	-0.271
H7	0.000	-2.272	-0.271
H8	0.899	1.370	-1.518
H9	-0.899	1.370	-1.518
H10	-0.899	-1.370	-1.518
H11	0.899	-1.370	-1.518

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4336	1.4336	1.7717	1.7717	2.3183	2.3183	2.3683	2.3683	2.3683	2.3683
O2	1.4336		2.4883	2.6000	2.6000	2.8440	2.8440	3.5124	2.8040	2.8040	3.5124
O3	1.4336	2.4883		2.6000	2.6000	2.8440	2.8440	2.8040	3.5124	3.5124	2.8040
C4	1.7717	2.6000	2.6000		2.7789	1.0880	3.7160	1.0868	1.0868	2.9661	2.9661
C5	1.7717	2.6000	2.6000	2.7789		3.7160	1.0880	2.9661	2.9661	1.0868	1.0868
H6	2.3183	2.8440	2.8440	1.0880	3.7160		4.5433	1.7820	1.7820	3.9533	3.9533
H7	2.3183	2.8440	2.8440	3.7160	1.0880	4.5433		3.9533	3.9533	1.7820	1.7820
H8	2.3683	3.5124	2.8040	1.0868	2.9661	1.7820	3.9533		1.7982	3.2781	2.7409
H9	2.3683	2.8040	3.5124	1.0868	2.9661	1.7820	3.9533	1.7982		2.7409	3.2781
H10	2.3683	2.8040	3.5124	2.9661	1.0868	3.9533	1.7820	3.2781	2.7409		1.7982
H11	2.3683	3.5124	2.8040	2.9661	1.0868	3.9533	1.7820	2.7409	3.2781	1.7982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.832	S1	C4	H8	109.555
S1	C4	H9	109.555	S1	C5	H7	105.832
S1	C5	H10	109.555	S1	C5	H11	109.555
O2	S1	O3	120.419	O2	S1	C4	107.955
O2	S1	C5	107.955	O3	S1	C4	107.955
O3	S1	C5	107.955	C4	S1	C5	103.300
H6	C4	H8	110.044	H6	C4	H9	110.044
H7	C5	H10	110.044	H7	C5	H11	110.044
H8	C4	H9	111.642	H10	C5	H11	111.642

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

using model chemistry: CCSD/cc-pV(T+d)Z

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: CCSD/cc-pV(T+d)Z

States and conformations

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