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	hartrees
Energy at 0K
Energy at 298.15K	-0.149867
HF Energy	-0.149867
Nuclear repulsion energy	133.271458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2802	2977	84.63
2	A₁	2679	2847	202.32
3	A₁	1310	1391	160.96
4	A₁	1218	1294	195.95
5	A₁	1059	1125	560.14
6	A₁	954	1013	0.67
7	A₁	787	836	52.50
8	A₁	434	461	120.38
9	A₁	261	277	3.74
10	A₂	2693	2861	0.00
11	A₂	1201	1276	0.00
12	A₂	921	978	0.00
13	A₂	280	297	0.00
14	A₂	47i	50i	0.00
15	B₁	2699	2867	299.89
16	B₁	1223	1299	815.18
17	B₁	1170	1243	194.53
18	B₁	949	1008	6.68
19	B₁	347	369	11.49
20	B₁	52	56	0.48
21	B₂	2793	2967	177.64
22	B₂	2676	2843	146.79
23	B₂	1296	1377	282.72
24	B₂	1192	1266	140.08
25	B₂	953	1013	388.36
26	B₂	816	867	168.43
27	B₂	437	464	158.10

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.185
O2	-1.251	0.000	0.919
O3	1.251	0.000	0.919
C4	0.000	1.380	-0.899
C5	0.000	-1.380	-0.899
H6	0.000	2.333	-0.345
H7	0.000	-2.333	-0.345
H8	0.882	1.432	-1.547
H9	-0.882	1.432	-1.547
H10	-0.882	-1.432	-1.547
H11	0.882	-1.432	-1.547

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4504	1.4504	1.7544	1.7544	2.3921	2.3921	2.4137	2.4137	2.4137	2.4137
O2	1.4504		2.5019	2.6022	2.6022	2.9331	2.9331	3.5608	2.8747	2.8747	3.5608
O3	1.4504	2.5019		2.6022	2.6022	2.9331	2.9331	2.8747	3.5608	3.5608	2.8747
C4	1.7544	2.6022	2.6022		2.7598	1.1022	3.7538	1.0961	1.0961	3.0172	3.0172
C5	1.7544	2.6022	2.6022	2.7598		3.7538	1.1022	3.0172	3.0172	1.0961	1.0961
H6	2.3921	2.9331	2.9331	1.1022	3.7538		4.6656	1.7423	1.7423	4.0490	4.0490
H7	2.3921	2.9331	2.9331	3.7538	1.1022	4.6656		4.0490	4.0490	1.7423	1.7423
H8	2.4137	3.5608	2.8747	1.0961	3.0172	1.7423	4.0490		1.7648	3.3634	2.8632
H9	2.4137	2.8747	3.5608	1.0961	3.0172	1.7423	4.0490	1.7648		2.8632	3.3634
H10	2.4137	2.8747	3.5608	3.0172	1.0961	4.0490	1.7423	3.3634	2.8632		1.7648
H11	2.4137	3.5608	2.8747	3.0172	1.0961	4.0490	1.7423	2.8632	3.3634	1.7648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	111.698	S1	C4	H8	113.719
S1	C4	H9	113.719	S1	C5	H7	111.698
S1	C5	H10	113.719	S1	C5	H11	113.719
O2	S1	O3	119.195	O2	S1	C4	108.210
O2	S1	C5	108.210	O3	S1	C4	108.210
O3	S1	C5	108.210	C4	S1	C5	103.731
H6	C4	H8	104.856	H6	C4	H9	104.856
H7	C5	H10	104.856	H7	C5	H11	104.856
H8	C4	H9	107.228	H10	C5	H11	107.228

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

using model chemistry: PM6

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: PM6

States and conformations

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