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	hartrees
Energy at 0K	-627.603054
Energy at 298.15K
HF Energy	-626.570556
Nuclear repulsion energy	277.120460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3210	3210	0.49
2	A₁	3109	3109	1.00
3	A₁	1484	1484	2.63
4	A₁	1384	1384	33.95
5	A₁	1234	1234	170.70
6	A₁	1028	1028	3.67
7	A₁	725	725	11.36
8	A₁	516	516	29.99
9	A₁	276	276	2.35
10	A₂	3217	3217	0.00
11	A₂	1469	1469	0.00
12	A₂	947	947	0.00
13	A₂	308	308	0.00
14	A₂	189	189	0.00
15	B₁	3221	3221	1.46
16	B₁	1488	1488	0.10
17	B₁	1434	1434	283.51
18	B₁	1010	1010	1.46
19	B₁	371	371	0.63
20	B₁	226	226	0.41
21	B₂	3209	3209	0.43
22	B₂	3107	3107	0.37
23	B₂	1474	1474	4.59
24	B₂	1368	1368	19.22
25	B₂	962	962	85.28
26	B₂	777	777	33.62
27	B₂	479	479	41.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.190
O2	-1.239	0.000	0.902
O3	1.239	0.000	0.902
C4	0.000	1.388	-0.906
C5	0.000	-1.388	-0.906
H6	0.000	2.267	-0.268
H7	0.000	-2.267	-0.268
H8	0.898	1.369	-1.515
H9	-0.898	1.369	-1.515
H10	-0.898	-1.369	-1.515
H11	0.898	-1.369	-1.515

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4291	1.4291	1.7687	1.7687	2.3128	2.3128	2.3632	2.3632	2.3632	2.3632
O2	1.4291		2.4779	2.5946	2.5946	2.8360	2.8360	3.5045	2.7983	2.7983	3.5045
O3	1.4291	2.4779		2.5946	2.5946	2.8360	2.8360	2.7983	3.5045	3.5045	2.7983
C4	1.7687	2.5946	2.5946		2.7764	1.0864	3.7106	1.0850	1.0850	2.9626	2.9626
C5	1.7687	2.5946	2.5946	2.7764		3.7106	1.0864	2.9626	2.9626	1.0850	1.0850
H6	2.3128	2.8360	2.8360	1.0864	3.7106		4.5342	1.7802	1.7802	3.9472	3.9472
H7	2.3128	2.8360	2.8360	3.7106	1.0864	4.5342		3.9472	3.9472	1.7802	1.7802
H8	2.3632	3.5045	2.7983	1.0850	2.9626	1.7802	3.9472		1.7964	3.2741	2.7373
H9	2.3632	2.7983	3.5045	1.0850	2.9626	1.7802	3.9472	1.7964		2.7373	3.2741
H10	2.3632	2.7983	3.5045	2.9626	1.0850	3.9472	1.7802	3.2741	2.7373		1.7964
H11	2.3632	3.5045	2.7983	2.9626	1.0850	3.9472	1.7802	2.7373	3.2741	1.7964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.707	S1	C4	H8	109.472
S1	C4	H9	109.472	S1	C5	H7	105.707
S1	C5	H10	109.472	S1	C5	H11	109.472
O2	S1	O3	120.202	O2	S1	C4	107.992
O2	S1	C5	107.992	O3	S1	C4	107.992
O3	S1	C5	107.992	C4	S1	C5	103.418
H6	C4	H8	110.132	H6	C4	H9	110.132
H7	C5	H10	110.132	H7	C5	H11	110.132
H8	C4	H9	111.743	H10	C5	H11	111.743

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

using model chemistry: MP3/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: MP3/Def2TZVPP

States and conformations

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