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	hartrees
Energy at 0K	-627.848604
Energy at 298.15K
HF Energy	-626.570247
Nuclear repulsion energy	276.925528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3187	3187	0.80
2	A₁	3087	3087	1.46
3	A₁	1486	1486	2.62
4	A₁	1386	1386	26.31
5	A₁	1217	1217	161.49
6	A₁	1028	1028	2.49
7	A₁	722	722	10.01
8	A₁	510	510	28.74
9	A₁	276	276	2.27
10	A₂	3193	3193	0.00
11	A₂	1470	1470	0.00
12	A₂	948	948	0.00
13	A₂	307	307	0.00
14	A₂	188	188	0.00
15	B₁	3197	3197	2.03
16	B₁	1488	1488	0.81
17	B₁	1415	1415	258.68
18	B₁	1010	1010	1.28
19	B₁	370	370	0.63
20	B₁	227	227	0.41
21	B₂	3185	3185	0.29
22	B₂	3085	3085	0.10
23	B₂	1476	1476	4.81
24	B₂	1369	1369	17.43
25	B₂	962	962	79.12
26	B₂	777	777	32.81
27	B₂	474	474	40.48

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.242	0.000	0.903
O3	1.242	0.000	0.903
C4	0.000	1.387	-0.906
C5	0.000	-1.387	-0.906
H6	0.000	2.265	-0.268
H7	0.000	-2.265	-0.268
H8	0.897	1.368	-1.514
H9	-0.897	1.368	-1.514
H10	-0.897	-1.368	-1.514
H11	0.897	-1.368	-1.514

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4327	1.4327	1.7670	1.7670	2.3108	2.3108	2.3616	2.3616	2.3616	2.3616
O2	1.4327		2.4844	2.5957	2.5957	2.8362	2.8362	3.5058	2.7984	2.7984	3.5058
O3	1.4327	2.4844		2.5957	2.5957	2.8362	2.8362	2.7984	3.5058	3.5058	2.7984
C4	1.7670	2.5957	2.5957		2.7741	1.0857	3.7077	1.0844	1.0844	2.9606	2.9606
C5	1.7670	2.5957	2.5957	2.7741		3.7077	1.0857	2.9606	2.9606	1.0844	1.0844
H6	2.3108	2.8362	2.8362	1.0857	3.7077		4.5306	1.7790	1.7790	3.9445	3.9445
H7	2.3108	2.8362	2.8362	3.7077	1.0857	4.5306		3.9445	3.9445	1.7790	1.7790
H8	2.3616	3.5058	2.7984	1.0844	2.9606	1.7790	3.9445		1.7949	3.2720	2.7357
H9	2.3616	2.7984	3.5058	1.0844	2.9606	1.7790	3.9445	1.7949		2.7357	3.2720
H10	2.3616	2.7984	3.5058	2.9606	1.0844	3.9445	1.7790	3.2720	2.7357		1.7949
H11	2.3616	3.5058	2.7984	2.9606	1.0844	3.9445	1.7790	2.7357	3.2720	1.7949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.711	S1	C4	H8	109.493
S1	C4	H9	109.493	S1	C5	H7	105.711
S1	C5	H10	109.493	S1	C5	H11	109.493
O2	S1	O3	120.236	O2	S1	C4	107.979
O2	S1	C5	107.979	O3	S1	C4	107.979
O3	S1	C5	107.979	C4	S1	C5	103.436
H6	C4	H8	110.130	H6	C4	H9	110.130
H7	C5	H10	110.130	H7	C5	H11	110.130
H8	C4	H9	111.704	H10	C5	H11	111.704

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/Def2TZVPP

States and conformations

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