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	hartrees
Energy at 0K	-628.349060
Energy at 298.15K
HF Energy	-628.349060
Nuclear repulsion energy	272.777032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3207	3062	0.26
2	A₁	3093	2954	1.03
3	A₁	1465	1398	2.89
4	A₁	1362	1300	20.40
5	A₁	1162	1110	163.38
6	A₁	1014	968	1.61
7	A₁	685	654	11.29
8	A₁	480	458	24.38
9	A₁	264	252	2.45
10	A₂	3209	3064	0.00
11	A₂	1452	1387	0.00
12	A₂	938	896	0.00
13	A₂	279	267	0.00
14	A₂	188	179	0.00
15	B₁	3212	3067	1.74
16	B₁	1470	1404	8.52
17	B₁	1361	1300	225.55
18	B₁	998	953	1.95
19	B₁	352	336	0.51
20	B₁	217	208	0.50
21	B₂	3206	3061	0.93
22	B₂	3091	2952	0.30
23	B₂	1455	1389	7.65
24	B₂	1342	1282	17.47
25	B₂	952	909	74.54
26	B₂	752	718	45.84
27	B₂	442	422	34.71

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
O2	-1.270	0.000	0.912
O3	1.270	0.000	0.912
C4	0.000	1.406	-0.916
C5	0.000	-1.406	-0.916
H6	0.000	2.288	-0.276
H7	0.000	-2.288	-0.276
H8	0.901	1.392	-1.529
H9	-0.901	1.392	-1.529
H10	-0.901	-1.392	-1.529
H11	0.901	-1.392	-1.529

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4609	1.4609	1.7897	1.7897	2.3355	2.3355	2.3887	2.3887	2.3887	2.3887
O2	1.4609		2.5407	2.6333	2.6333	2.8744	2.8744	3.5509	2.8342	2.8342	3.5509
O3	1.4609	2.5407		2.6333	2.6333	2.8744	2.8744	2.8342	3.5509	3.5509	2.8342
C4	1.7897	2.6333	2.6333		2.8125	1.0900	3.7497	1.0893	1.0893	3.0027	3.0027
C5	1.7897	2.6333	2.6333	2.8125		3.7497	1.0900	3.0027	3.0027	1.0893	1.0893
H6	2.3355	2.8744	2.8744	1.0900	3.7497		4.5767	1.7845	1.7845	3.9907	3.9907
H7	2.3355	2.8744	2.8744	3.7497	1.0900	4.5767		3.9907	3.9907	1.7845	1.7845
H8	2.3887	3.5509	2.8342	1.0893	3.0027	1.7845	3.9907		1.8011	3.3157	2.7839
H9	2.3887	2.8342	3.5509	1.0893	3.0027	1.7845	3.9907	1.8011		2.7839	3.3157
H10	2.3887	2.8342	3.5509	3.0027	1.0893	3.9907	1.7845	3.3157	2.7839		1.8011
H11	2.3887	3.5509	2.8342	3.0027	1.0893	3.9907	1.7845	2.7839	3.3157	1.8011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.814	S1	C4	H8	109.727
S1	C4	H9	109.727	S1	C5	H7	105.814
S1	C5	H10	109.727	S1	C5	H11	109.727
O2	S1	O3	120.821	O2	S1	C4	107.784
O2	S1	C5	107.784	O3	S1	C4	107.784
O3	S1	C5	107.784	C4	S1	C5	103.579
H6	C4	H8	109.940	H6	C4	H9	109.940
H7	C5	H10	109.940	H7	C5	H11	109.940
H8	C4	H9	111.532	H10	C5	H11	111.532

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

using model chemistry: B1B95/6-31G**

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	1.055
2	O	-0.525
3	O	-0.525
4	C	-0.554
5	C	-0.554
6	H	0.201
7	H	0.201
8	H	0.175
9	H	0.175
10	H	0.175
11	H	0.175

<r²>	127.742
(<r²>)^1/2	11.302

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

using model chemistry: B1B95/6-31G**

States and conformations

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