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	hartrees
Energy at 0K	-628.400813
Energy at 298.15K
HF Energy	-628.400813
Nuclear repulsion energy	270.606379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3184	3057	1.16
2	A₁	3084	2961	1.72
3	A₁	1489	1430	2.62
4	A₁	1383	1328	11.94
5	A₁	1139	1093	162.53
6	A₁	1021	981	0.07
7	A₁	660	634	12.40
8	A₁	474	455	22.88
9	A₁	265	254	2.41
10	A₂	3184	3058	0.00
11	A₂	1478	1419	0.00
12	A₂	954	916	0.00
13	A₂	279	267	0.00
14	A₂	187	180	0.00
15	B₁	3188	3062	4.14
16	B₁	1494	1434	11.87
17	B₁	1329	1276	211.73
18	B₁	1010	970	0.80
19	B₁	353	339	0.58
20	B₁	214	206	0.47
21	B₂	3183	3056	0.35
22	B₂	3081	2958	0.00
23	B₂	1480	1421	8.08
24	B₂	1364	1310	9.25
25	B₂	963	925	61.59
26	B₂	734	705	53.65
27	B₂	435	418	33.27

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.195
O2	-1.278	0.000	0.921
O3	1.278	0.000	0.921
C4	0.000	1.422	-0.926
C5	0.000	-1.422	-0.926
H6	0.000	2.308	-0.286
H7	0.000	-2.308	-0.286
H8	0.902	1.405	-1.541
H9	-0.902	1.405	-1.541
H10	-0.902	-1.405	-1.541
H11	0.902	-1.405	-1.541

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4700	1.4700	1.8103	1.8103	2.3574	2.3574	2.4083	2.4083	2.4083	2.4083
O2	1.4700		2.5565	2.6580	2.6580	2.9011	2.9011	3.5759	2.8590	2.8590	3.5759
O3	1.4700	2.5565		2.6580	2.6580	2.9011	2.9011	2.8590	3.5759	3.5759	2.8590
C4	1.8103	2.6580	2.6580		2.8437	1.0926	3.7841	1.0920	1.0920	3.0305	3.0305
C5	1.8103	2.6580	2.6580	2.8437		3.7841	1.0926	3.0305	3.0305	1.0920	1.0920
H6	2.3574	2.9011	2.9011	1.0926	3.7841		4.6155	1.7895	1.7895	4.0216	4.0216
H7	2.3574	2.9011	2.9011	3.7841	1.0926	4.6155		4.0216	4.0216	1.7895	1.7895
H8	2.4083	3.5759	2.8590	1.0920	3.0305	1.7895	4.0216		1.8047	3.3398	2.8102
H9	2.4083	2.8590	3.5759	1.0920	3.0305	1.7895	4.0216	1.8047		2.8102	3.3398
H10	2.4083	2.8590	3.5759	3.0305	1.0920	4.0216	1.7895	3.3398	2.8102		1.8047
H11	2.4083	3.5759	2.8590	3.0305	1.0920	4.0216	1.7895	2.8102	3.3398	1.8047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.934	S1	C4	H8	109.660
S1	C4	H9	109.660	S1	C5	H7	105.934
S1	C5	H10	109.660	S1	C5	H11	109.660
O2	S1	O3	120.812	O2	S1	C4	107.799
O2	S1	C5	107.799	O3	S1	C4	107.799
O3	S1	C5	107.799	C4	S1	C5	103.519
H6	C4	H8	109.996	H6	C4	H9	109.996
H7	C5	H10	109.996	H7	C5	H11	109.996
H8	C4	H9	111.445	H10	C5	H11	111.445

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

using model chemistry: B3LYP/6-31G*

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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Number	Element	Mulliken
1	S	1.074
2	O	-0.528
3	O	-0.528
4	C	-0.630
5	C	-0.630
6	H	0.224
7	H	0.224
8	H	0.199
9	H	0.199
10	H	0.199
11	H	0.199

	x	y	z	Total
	0.000	0.000	-4.605	4.605
CHELPG	0.000	0.000	-4.642	4.642
AIM
ESP	0.002	0.000	-4.630	4.630

<r²>	129.756
(<r²>)^1/2	11.391

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

using model chemistry: B3LYP/6-31G*

States and conformations

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