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	hartrees
Energy at 0K	-628.422892
Energy at 298.15K
HF Energy	-628.422892
Nuclear repulsion energy	270.395032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3065	0.49
2	A₁	3073	2963	2.35
3	A₁	1465	1413	4.34
4	A₁	1361	1312	10.58
5	A₁	1118	1078	176.70
6	A₁	1010	974	1.28
7	A₁	654	630	9.64
8	A₁	463	446	25.28
9	A₁	262	252	2.51
10	A₂	3180	3066	0.00
11	A₂	1456	1404	0.00
12	A₂	943	909	0.00
13	A₂	284	273	0.00
14	A₂	185	179	0.00
15	B₁	3184	3070	1.74
16	B₁	1471	1418	12.80
17	B₁	1289	1243	265.04
18	B₁	997	961	0.15
19	B₁	348	335	0.94
20	B₁	214	206	0.46
21	B₂	3177	3064	0.74
22	B₂	3070	2960	0.04
23	B₂	1455	1403	7.93
24	B₂	1341	1293	9.49
25	B₂	951	917	54.02
26	B₂	729	703	50.58
27	B₂	435	420	36.07

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.190
O2	-1.280	0.000	0.921
O3	1.280	0.000	0.921
C4	0.000	1.425	-0.924
C5	0.000	-1.425	-0.924
H6	0.000	2.306	-0.278
H7	0.000	-2.306	-0.278
H8	0.904	1.407	-1.535
H9	-0.904	1.407	-1.535
H10	-0.904	-1.407	-1.535
H11	0.904	-1.407	-1.535

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4739	1.4739	1.8095	1.8095	2.3527	2.3527	2.4028	2.4028	2.4028	2.4028
O2	1.4739		2.5600	2.6599	2.6599	2.8968	2.8968	3.5751	2.8556	2.8556	3.5751
O3	1.4739	2.5600		2.6599	2.6599	2.8968	2.8968	2.8556	3.5751	3.5751	2.8556
C4	1.8095	2.6599	2.6599		2.8510	1.0919	3.7866	1.0912	1.0912	3.0350	3.0350
C5	1.8095	2.6599	2.6599	2.8510		3.7866	1.0919	3.0350	3.0350	1.0912	1.0912
H6	2.3527	2.8968	2.8968	1.0919	3.7866		4.6112	1.7906	1.7906	4.0222	4.0222
H7	2.3527	2.8968	2.8968	3.7866	1.0919	4.6112		4.0222	4.0222	1.7906	1.7906
H8	2.4028	3.5751	2.8556	1.0912	3.0350	1.7906	4.0222		1.8075	3.3438	2.8132
H9	2.4028	2.8556	3.5751	1.0912	3.0350	1.7906	4.0222	1.8075		2.8132	3.3438
H10	2.4028	2.8556	3.5751	3.0350	1.0912	4.0222	1.7906	3.3438	2.8132		1.8075
H11	2.4028	3.5751	2.8556	3.0350	1.0912	4.0222	1.7906	2.8132	3.3438	1.8075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.693	S1	C4	H8	109.354
S1	C4	H9	109.354	S1	C5	H7	105.693
S1	C5	H10	109.354	S1	C5	H11	109.354
O2	S1	O3	120.563	O2	S1	C4	107.779
O2	S1	C5	107.779	O3	S1	C4	107.779
O3	S1	C5	107.779	C4	S1	C5	103.960
H6	C4	H8	110.211	H6	C4	H9	110.211
H7	C5	H10	110.211	H7	C5	H11	110.211
H8	C4	H9	111.827	H10	C5	H11	111.827

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

using model chemistry: B3LYP/6-31+G**

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	0.951
2	O	-0.557
3	O	-0.557
4	C	-0.518
5	C	-0.518
6	H	0.214
7	H	0.214
8	H	0.193
9	H	0.193
10	H	0.193
11	H	0.193

	x	y	z	Total
	0.000	0.000	-4.950	4.950
CHELPG
AIM
ESP	0.003	0.000	-4.945	4.945

<r²>	130.463
(<r²>)^1/2	11.422

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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