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	hartrees
Energy at 0K	-627.603042
Energy at 298.15K
HF Energy	-626.570269
Nuclear repulsion energy	276.848842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	3194	0.67
2	A₁	3093	3093	1.33
3	A₁	1484	1484	2.61
4	A₁	1386	1386	29.45
5	A₁	1227	1227	167.37
6	A₁	1029	1029	3.07
7	A₁	724	724	10.71
8	A₁	514	514	29.55
9	A₁	276	276	2.28
10	A₂	3201	3201	0.00
11	A₂	1470	1470	0.00
12	A₂	949	949	0.00
13	A₂	308	308	0.00
14	A₂	189	189	0.00
15	B₁	3205	3205	1.80
16	B₁	1488	1488	0.13
17	B₁	1425	1425	273.55
18	B₁	1011	1011	1.40
19	B₁	371	371	0.65
20	B₁	227	227	0.41
21	B₂	3193	3193	0.33
22	B₂	3091	3091	0.16
23	B₂	1474	1474	4.62
24	B₂	1370	1370	17.83
25	B₂	963	963	81.67
26	B₂	778	778	33.45
27	B₂	477	477	41.47

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.190
O2	-1.241	0.000	0.903
O3	1.241	0.000	0.903
C4	0.000	1.388	-0.906
C5	0.000	-1.388	-0.906
H6	0.000	2.269	-0.268
H7	0.000	-2.269	-0.268
H8	0.899	1.370	-1.516
H9	-0.899	1.370	-1.516
H10	-0.899	-1.370	-1.516
H11	0.899	-1.370	-1.516

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4315	1.4315	1.7688	1.7688	2.3144	2.3144	2.3649	2.3649	2.3649	2.3649
O2	1.4315		2.4823	2.5965	2.5965	2.8387	2.8387	3.5080	2.8007	2.8007	3.5080
O3	1.4315	2.4823		2.5965	2.5965	2.8387	2.8387	2.8007	3.5080	3.5080	2.8007
C4	1.7688	2.5965	2.5965		2.7768	1.0876	3.7124	1.0862	1.0862	2.9642	2.9642
C5	1.7688	2.5965	2.5965	2.7768		3.7124	1.0876	2.9642	2.9642	1.0862	1.0862
H6	2.3144	2.8387	2.8387	1.0876	3.7124		4.5374	1.7816	1.7816	3.9501	3.9501
H7	2.3144	2.8387	2.8387	3.7124	1.0876	4.5374		3.9501	3.9501	1.7816	1.7816
H8	2.3649	3.5080	2.8007	1.0862	2.9642	1.7816	3.9501		1.7977	3.2765	2.7393
H9	2.3649	2.8007	3.5080	1.0862	2.9642	1.7816	3.9501	1.7977		2.7393	3.2765
H10	2.3649	2.8007	3.5080	2.9642	1.0862	3.9501	1.7816	3.2765	2.7393		1.7977
H11	2.3649	3.5080	2.8007	2.9642	1.0862	3.9501	1.7816	2.7393	3.2765	1.7977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.754	S1	C4	H8	109.522
S1	C4	H9	109.522	S1	C5	H7	105.754
S1	C5	H10	109.522	S1	C5	H11	109.522
O2	S1	O3	120.223	O2	S1	C4	107.984
O2	S1	C5	107.984	O3	S1	C4	107.984
O3	S1	C5	107.984	C4	S1	C5	103.425
H6	C4	H8	110.088	H6	C4	H9	110.088
H7	C5	H10	110.088	H7	C5	H11	110.088
H8	C4	H9	111.691	H10	C5	H11	111.691

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

using model chemistry: CCD/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: CCD/Def2TZVPP

States and conformations

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