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	hartrees
Energy at 0K	-623.594900
Energy at 298.15K
HF Energy	-623.027412
Nuclear repulsion energy	255.227114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3184	3088
2	A₁	3069	2976
3	A₁	1518	1472
4	A₁	1389	1347
5	A₁	1053	1021
6	A₁	932	904
7	A₁	535	519
8	A₁	407	395
9	A₁	243	236
10	A₂	3180	3083
11	A₂	1518	1472
12	A₂	935	906
13	A₂	204	198
14	A₂	132	128
15	B₁	3183	3087
16	B₁	1532	1486
17	B₁	1161	1126
18	B₁	970	940
19	B₁	282	273
20	B₁	160	156
21	B₂	3183	3087
22	B₂	3066	2974
23	B₂	1509	1463
24	B₂	1365	1324
25	B₂	952	923
26	B₂	605	587
27	B₂	321	311

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.213
O2	-1.378	0.000	1.013
O3	1.378	0.000	1.013
C4	0.000	1.455	-1.023
C5	0.000	-1.455	-1.023
H6	0.000	2.370	-0.423
H7	0.000	-2.370	-0.423
H8	0.910	1.372	-1.624
H9	-0.910	1.372	-1.624
H10	-0.910	-1.372	-1.624
H11	0.910	-1.372	-1.624

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.5933	1.5933	1.9089	1.9089	2.4541	2.4541	2.4675	2.4675	2.4675	2.4675
O2	1.5933		2.7559	2.8566	2.8566	3.0951	3.0951	3.7518	3.0097	3.0097	3.7518
O3	1.5933	2.7559		2.8566	2.8566	3.0951	3.0951	3.0097	3.7518	3.7518	3.0097
C4	1.9089	2.8566	2.8566		2.9097	1.0940	3.8716	1.0943	1.0943	3.0306	3.0306
C5	1.9089	2.8566	2.8566	2.9097		3.8716	1.0940	3.0306	3.0306	1.0943	1.0943
H6	2.4541	3.0951	3.0951	1.0940	3.8716		4.7401	1.8072	1.8072	4.0345	4.0345
H7	2.4541	3.0951	3.0951	3.8716	1.0940	4.7401		4.0345	4.0345	1.8072	1.8072
H8	2.4675	3.7518	3.0097	1.0943	3.0306	1.8072	4.0345		1.8207	3.2938	2.7449
H9	2.4675	3.0097	3.7518	1.0943	3.0306	1.8072	4.0345	1.8207		2.7449	3.2938
H10	2.4675	3.0097	3.7518	3.0306	1.0943	4.0345	1.8072	3.2938	2.7449		1.8207
H11	2.4675	3.7518	3.0097	3.0306	1.0943	4.0345	1.8072	2.7449	3.2938	1.8207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.434	S1	C4	H8	107.369
S1	C4	H9	107.369	S1	C5	H7	106.434
S1	C5	H10	107.369	S1	C5	H11	107.369
O2	S1	O3	119.726	O2	S1	C4	108.969
O2	S1	C5	108.969	O3	S1	C4	108.969
O3	S1	C5	108.969	C4	S1	C5	99.305
H6	C4	H8	111.357	H6	C4	H9	111.357
H7	C5	H10	111.357	H7	C5	H11	111.357
H8	C4	H9	112.595	H10	C5	H11	112.595

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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