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	hartrees
Energy at 0K	-620.725641
Energy at 298.15K
HF Energy	-620.725641
Nuclear repulsion energy	250.239294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3544	3130	0.63
2	A₁	3327	2937	11.74
3	A₁	1632	1441	1.47
4	A₁	1402	1238	0.04
5	A₁	989	874	47.84
6	A₁	845	746	27.27
7	A₁	598	528	27.90
8	A₁	300	265	9.28
9	A₁	228	202	1.77
10	A₂	3541	3127	0.00
11	A₂	1634	1443	0.00
12	A₂	887	783	0.00
13	A₂	206	182	0.00
14	A₂	45	40	0.00
15	B₁	3543	3128	0.42
16	B₁	1642	1450	9.38
17	B₁	1069	944	49.10
18	B₁	882	779	0.09
19	B₁	285	252	2.47
20	B₁	118	104	0.06
21	B₂	3543	3128	0.63
22	B₂	3324	2935	27.02
23	B₂	1628	1437	4.07
24	B₂	1382	1220	3.49
25	B₂	887	783	17.39
26	B₂	582	514	92.76
27	B₂	287	254	8.63

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.249
O2	-1.410	0.000	1.046
O3	1.410	0.000	1.046
C4	0.000	1.452	-1.076
C5	0.000	-1.452	-1.076
H6	0.000	2.401	-0.530
H7	0.000	-2.401	-0.530
H8	0.905	1.352	-1.686
H9	-0.905	1.352	-1.686
H10	-0.905	-1.352	-1.686
H11	0.905	-1.352	-1.686

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6191	1.6191	1.9656	1.9656	2.5247	2.5247	2.5286	2.5286	2.5286	2.5286
O2	1.6191		2.8194	2.9318	2.9318	3.1995	3.1995	3.8273	3.0898	3.0898	3.8273
O3	1.6191	2.8194		2.9318	2.9318	3.1995	3.1995	3.0898	3.8273	3.8273	3.0898
C4	1.9656	2.9318	2.9318		2.9031	1.0955	3.8914	1.0958	1.0958	3.0089	3.0089
C5	1.9656	2.9318	2.9318	2.9031		3.8914	1.0955	3.0089	3.0089	1.0958	1.0958
H6	2.5247	3.1995	3.1995	1.0955	3.8914		4.8027	1.8042	1.8042	4.0306	4.0306
H7	2.5247	3.1995	3.1995	3.8914	1.0955	4.8027		4.0306	4.0306	1.8042	1.8042
H8	2.5286	3.8273	3.0898	1.0958	3.0089	1.8042	4.0306		1.8096	3.2544	2.7049
H9	2.5286	3.0898	3.8273	1.0958	3.0089	1.8042	4.0306	1.8096		2.7049	3.2544
H10	2.5286	3.0898	3.8273	3.0089	1.0958	4.0306	1.8042	3.2544	2.7049		1.8096
H11	2.5286	3.8273	3.0898	3.0089	1.0958	4.0306	1.8042	2.7049	3.2544	1.8096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	107.714	S1	C4	H8	107.978
S1	C4	H9	107.978	S1	C5	H7	107.714
S1	C5	H10	107.978	S1	C5	H11	107.978
O2	S1	O3	121.078	O2	S1	C4	109.368
O2	S1	C5	109.368	O3	S1	C4	109.368
O3	S1	C5	109.368	C4	S1	C5	95.204
H6	C4	H8	110.848	H6	C4	H9	110.848
H7	C5	H10	110.848	H7	C5	H11	110.848
H8	C4	H9	111.320	H10	C5	H11	111.320

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

using model chemistry: B1B95/STO-3G

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	0.777
2	O	-0.351
3	O	-0.351
4	C	-0.307
5	C	-0.307
6	H	0.093
7	H	0.093
8	H	0.089
9	H	0.089
10	H	0.089
11	H	0.089

<r²>	145.607
(<r²>)^1/2	12.067

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

using model chemistry: B1B95/STO-3G

States and conformations

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