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	hartrees
Energy at 0K	-627.486985
Energy at 298.15K
HF Energy	-626.461758
Nuclear repulsion energy	274.755735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3212	3212	0.40
2	A₁	3110	3110	1.25
3	A₁	1498	1498	6.09
4	A₁	1425	1425	29.39
5	A₁	1192	1192	210.98
6	A₁	1056	1056	0.61
7	A₁	724	724	11.01
8	A₁	503	503	35.69
9	A₁	283	283	2.47
10	A₂	3219	3219	0.00
11	A₂	1485	1485	0.00
12	A₂	978	978	0.00
13	A₂	307	307	0.00
14	A₂	186	186	0.00
15	B₁	3223	3223	1.85
16	B₁	1503	1503	15.02
17	B₁	1392	1392	280.84
18	B₁	1043	1043	1.73
19	B₁	375	375	1.17
20	B₁	223	223	0.70
21	B₂	3211	3211	0.46
22	B₂	3107	3107	0.07
23	B₂	1488	1488	7.13
24	B₂	1407	1407	30.62
25	B₂	997	997	77.31
26	B₂	788	788	44.05
27	B₂	476	476	49.96

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
O2	-1.256	0.000	0.904
O3	1.256	0.000	0.904
C4	0.000	1.401	-0.909
C5	0.000	-1.401	-0.909
H6	0.000	2.283	-0.268
H7	0.000	-2.283	-0.268
H8	0.901	1.388	-1.520
H9	-0.901	1.388	-1.520
H10	-0.901	-1.388	-1.520
H11	0.901	-1.388	-1.520

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4450	1.4450	1.7806	1.7806	2.3287	2.3287	2.3799	2.3799	2.3799	2.3799
O2	1.4450		2.5128	2.6131	2.6131	2.8576	2.8576	3.5297	2.8160	2.8160	3.5297
O3	1.4450	2.5128		2.6131	2.6131	2.8576	2.8576	2.8160	3.5297	3.5297	2.8160
C4	1.7806	2.6131	2.6131		2.8016	1.0901	3.7390	1.0890	1.0890	2.9936	2.9936
C5	1.7806	2.6131	2.6131	2.8016		3.7390	1.0901	2.9936	2.9936	1.0890	1.0890
H6	2.3287	2.8576	2.8576	1.0901	3.7390		4.5660	1.7833	1.7833	3.9816	3.9816
H7	2.3287	2.8576	2.8576	3.7390	1.0901	4.5660		3.9816	3.9816	1.7833	1.7833
H8	2.3799	3.5297	2.8160	1.0890	2.9936	1.7833	3.9816		1.8025	3.3095	2.7756
H9	2.3799	2.8160	3.5297	1.0890	2.9936	1.7833	3.9816	1.8025		2.7756	3.3095
H10	2.3799	2.8160	3.5297	2.9936	1.0890	3.9816	1.7833	3.3095	2.7756		1.8025
H11	2.3799	3.5297	2.8160	2.9936	1.0890	3.9816	1.7833	2.7756	3.3095	1.8025

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.901	S1	C4	H8	109.700
S1	C4	H9	109.700	S1	C5	H7	105.901
S1	C5	H10	109.700	S1	C5	H11	109.700
O2	S1	O3	120.789	O2	S1	C4	107.758
O2	S1	C5	107.758	O3	S1	C4	107.758
O3	S1	C5	107.758	C4	S1	C5	103.752
H6	C4	H8	109.837	H6	C4	H9	109.837
H7	C5	H10	109.837	H7	C5	H11	109.837
H8	C4	H9	111.701	H10	C5	H11	111.701

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

using model chemistry: MP3=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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