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	hartrees
Energy at 0K	-627.436207
Energy at 298.15K
HF Energy	-626.455357
Nuclear repulsion energy	275.956859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3226	3055	0.15
2	A₁	3118	2953	0.55
3	A₁	1490	1411	1.59
4	A₁	1395	1321	27.01
5	A₁	1222	1158	153.14
6	A₁	1032	978	3.16
7	A₁	724	686	9.60
8	A₁	509	483	26.99
9	A₁	277	263	2.40
10	A₂	3230	3060	0.00
11	A₂	1477	1399	0.00
12	A₂	954	904	0.00
13	A₂	298	283	0.00
14	A₂	184	174	0.00
15	B₁	3234	3064	1.09
16	B₁	1497	1418	0.63
17	B₁	1429	1353	238.31
18	B₁	1016	962	2.06
19	B₁	363	344	0.42
20	B₁	218	206	0.41
21	B₂	3224	3054	0.77
22	B₂	3115	2951	0.40
23	B₂	1480	1402	4.89
24	B₂	1379	1306	16.11
25	B₂	969	918	80.23
26	B₂	780	738	31.70
27	B₂	469	444	37.89

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	-1.246	0.000	0.905
O3	1.246	0.000	0.905
C4	0.000	1.392	-0.910
C5	0.000	-1.392	-0.910
H6	0.000	2.277	-0.274
H7	0.000	-2.277	-0.274
H8	0.900	1.373	-1.523
H9	-0.900	1.373	-1.523
H10	-0.900	-1.373	-1.523
H11	0.900	-1.373	-1.523

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4352	1.4352	1.7760	1.7760	2.3248	2.3248	2.3745	2.3745	2.3745	2.3745
O2	1.4352		2.4926	2.6047	2.6047	2.8513	2.8513	3.5192	2.8100	2.8100	3.5192
O3	1.4352	2.4926		2.6047	2.6047	2.8513	2.8513	2.8100	3.5192	3.5192	2.8100
C4	1.7760	2.6047	2.6047		2.7836	1.0901	3.7238	1.0890	1.0890	2.9713	2.9713
C5	1.7760	2.6047	2.6047	2.7836		3.7238	1.0901	2.9713	2.9713	1.0890	1.0890
H6	2.3248	2.8513	2.8513	1.0901	3.7238		4.5546	1.7851	1.7851	3.9612	3.9612
H7	2.3248	2.8513	2.8513	3.7238	1.0901	4.5546		3.9612	3.9612	1.7851	1.7851
H8	2.3745	3.5192	2.8100	1.0890	2.9713	1.7851	3.9612		1.8007	3.2834	2.7456
H9	2.3745	2.8100	3.5192	1.0890	2.9713	1.7851	3.9612	1.8007		2.7456	3.2834
H10	2.3745	2.8100	3.5192	2.9713	1.0890	3.9612	1.7851	3.2834	2.7456		1.8007
H11	2.3745	3.5192	2.8100	2.9713	1.0890	3.9612	1.7851	2.7456	3.2834	1.8007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.918	S1	C4	H8	109.608
S1	C4	H9	109.608	S1	C5	H7	105.918
S1	C5	H10	109.608	S1	C5	H11	109.608
O2	S1	O3	120.538	O2	S1	C4	107.942
O2	S1	C5	107.942	O3	S1	C4	107.942
O3	S1	C5	107.942	C4	S1	C5	103.195
H6	C4	H8	110.005	H6	C4	H9	110.005
H7	C5	H10	110.005	H7	C5	H11	110.005
H8	C4	H9	111.540	H10	C5	H11	111.540

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

using model chemistry: CCD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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