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	hartrees
Energy at 0K	-628.324382
Energy at 298.15K
HF Energy	-627.915671
Nuclear repulsion energy	275.280082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3181	0.72
2	A₁	3080	3080	1.84
3	A₁	1478	1478	3.18
4	A₁	1367	1367	17.88
5	A₁	1170	1170	155.62
6	A₁	1018	1018	0.71
7	A₁	689	689	9.86
8	A₁	490	490	23.37
9	A₁	272	272	2.48
10	A₂	3184	3184	0.00
11	A₂	1465	1465	0.00
12	A₂	945	945	0.00
13	A₂	301	301	0.00
14	A₂	188	188	0.00
15	B₁	3188	3188	1.59
16	B₁	1482	1482	5.98
17	B₁	1358	1358	248.53
18	B₁	1001	1001	0.83
19	B₁	362	362	0.35
20	B₁	219	219	0.39
21	B₂	3179	3179	0.81
22	B₂	3077	3077	0.05
23	B₂	1467	1467	6.00
24	B₂	1353	1353	14.71
25	B₂	951	951	65.31
26	B₂	753	753	38.67
27	B₂	460	460	33.06

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.251	0.000	0.907
O3	1.251	0.000	0.907
C4	0.000	1.398	-0.910
C5	0.000	-1.398	-0.910
H6	0.000	2.276	-0.270
H7	0.000	-2.276	-0.270
H8	0.898	1.379	-1.519
H9	-0.898	1.379	-1.519
H10	-0.898	-1.379	-1.519
H11	0.898	-1.379	-1.519

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4425	1.4425	1.7782	1.7782	2.3216	2.3216	2.3719	2.3719	2.3719	2.3719
O2	1.4425		2.5021	2.6117	2.6117	2.8511	2.8511	3.5224	2.8127	2.8127	3.5224
O3	1.4425	2.5021		2.6117	2.6117	2.8511	2.8511	2.8127	3.5224	3.5224	2.8127
C4	1.7782	2.6117	2.6117		2.7965	1.0864	3.7295	1.0855	1.0855	2.9822	2.9822
C5	1.7782	2.6117	2.6117	2.7965		3.7295	1.0864	2.9822	2.9822	1.0855	1.0855
H6	2.3216	2.8511	2.8511	1.0864	3.7295		4.5518	1.7809	1.7809	3.9660	3.9660
H7	2.3216	2.8511	2.8511	3.7295	1.0864	4.5518		3.9660	3.9660	1.7809	1.7809
H8	2.3719	3.5224	2.8127	1.0855	2.9822	1.7809	3.9660		1.7967	3.2923	2.7588
H9	2.3719	2.8127	3.5224	1.0855	2.9822	1.7809	3.9660	1.7967		2.7588	3.2923
H10	2.3719	2.8127	3.5224	2.9822	1.0855	3.9660	1.7809	3.2923	2.7588		1.7967
H11	2.3719	3.5224	2.8127	2.9822	1.0855	3.9660	1.7809	2.7588	3.2923	1.7967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.733	S1	C4	H8	109.450
S1	C4	H9	109.450	S1	C5	H7	105.733
S1	C5	H10	109.450	S1	C5	H11	109.450
O2	S1	O3	120.286	O2	S1	C4	107.913
O2	S1	C5	107.913	O3	S1	C4	107.913
O3	S1	C5	107.913	C4	S1	C5	103.687
H6	C4	H8	110.162	H6	C4	H9	110.162
H7	C5	H10	110.162	H7	C5	H11	110.162
H8	C4	H9	111.704	H10	C5	H11	111.704

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

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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: B2PLYP=FULLultrafine/6-311+G(3df,2p)

States and conformations

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