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	hartrees
Energy at 0K	-627.602306
Energy at 298.15K
HF Energy	-626.567929
Nuclear repulsion energy	277.161426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3207	3207	0.57
2	A₁	3106	3106	0.98
3	A₁	1484	1484	2.82
4	A₁	1381	1381	37.33
5	A₁	1241	1241	162.97
6	A₁	1027	1027	4.01
7	A₁	726	726	12.10
8	A₁	519	519	29.52
9	A₁	277	277	2.25
10	A₂	3215	3215	0.00
11	A₂	1469	1469	0.00
12	A₂	948	948	0.00
13	A₂	308	308	0.00
14	A₂	189	189	0.00
15	B₁	3219	3219	1.68
16	B₁	1490	1490	1.77
17	B₁	1444	1444	268.76
18	B₁	1012	1012	1.42
19	B₁	372	372	0.67
20	B₁	227	227	0.49
21	B₂	3206	3206	0.41
22	B₂	3104	3104	0.30
23	B₂	1474	1474	4.41
24	B₂	1363	1363	19.96
25	B₂	963	963	87.12
26	B₂	778	778	34.19
27	B₂	479	479	41.63

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
O2	-1.239	0.000	0.901
O3	1.239	0.000	0.901
C4	0.000	1.388	-0.906
C5	0.000	-1.388	-0.906
H6	0.000	2.268	-0.270
H7	0.000	-2.268	-0.270
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		1.4279	1.4279	1.7696	1.7696	2.3148	2.3148	2.3651	2.3651	2.3651	2.3651
O2	1.4279		2.4777	2.5940	2.5940	2.8376	2.8376	3.5045	2.7983	2.7983	3.5045
O3	1.4279	2.4777		2.5940	2.5940	2.8376	2.8376	2.7983	3.5045	3.5045	2.7983
C4	1.7696	2.5940	2.5940		2.7759	1.0867	3.7115	1.0853	1.0853	2.9629	2.9629
C5	1.7696	2.5940	2.5940	2.7759		3.7115	1.0867	2.9629	2.9629	1.0853	1.0853
H6	2.3148	2.8376	2.8376	1.0867	3.7115		4.5370	1.7797	1.7797	3.9485	3.9485
H7	2.3148	2.8376	2.8376	3.7115	1.0867	4.5370		3.9485	3.9485	1.7797	1.7797
H8	2.3651	3.5045	2.7983	1.0853	2.9629	1.7797	3.9485		1.7963	3.2748	2.7382
H9	2.3651	2.7983	3.5045	1.0853	2.9629	1.7797	3.9485	1.7963		2.7382	3.2748
H10	2.3651	2.7983	3.5045	2.9629	1.0853	3.9485	1.7797	3.2748	2.7382		1.7963
H11	2.3651	3.5045	2.7983	2.9629	1.0853	3.9485	1.7797	2.7382	3.2748	1.7963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.786	S1	C4	H8	109.539
S1	C4	H9	109.539	S1	C5	H7	105.786
S1	C5	H10	109.539	S1	C5	H11	109.539
O2	S1	O3	120.368	O2	S1	C4	107.965
O2	S1	C5	107.965	O3	S1	C4	107.965
O3	S1	C5	107.965	C4	S1	C5	103.319
H6	C4	H8	110.053	H6	C4	H9	110.053
H7	C5	H10	110.053	H7	C5	H11	110.053
H8	C4	H9	111.698	H10	C5	H11	111.698

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

using model chemistry: MP3/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: MP3/cc-pV(T+d)Z

States and conformations

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