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	hartrees
Energy at 0K	-628.422902
Energy at 298.15K
HF Energy	-628.422902
Nuclear repulsion energy	270.396308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3060	0.49
2	A₁	3073	2958	2.35
3	A₁	1465	1410	4.41
4	A₁	1361	1310	10.45
5	A₁	1119	1077	176.74
6	A₁	1010	972	1.23
7	A₁	654	629	9.66
8	A₁	462	445	25.36
9	A₁	261	251	2.49
10	A₂	3180	3061	0.00
11	A₂	1456	1401	0.00
12	A₂	944	909	0.00
13	A₂	285	275	0.00
14	A₂	182	175	0.00
15	B₁	3184	3065	1.74
16	B₁	1470	1415	12.78
17	B₁	1290	1241	265.06
18	B₁	998	961	0.14
19	B₁	348	335	0.96
20	B₁	208	201	0.45
21	B₂	3177	3059	0.74
22	B₂	3070	2955	0.04
23	B₂	1455	1401	7.79
24	B₂	1343	1293	9.66
25	B₂	951	915	53.86
26	B₂	729	702	50.55
27	B₂	435	419	36.10

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
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	1.406	-1.536
H9	-0.904	1.406	-1.536
H10	-0.904	-1.406	-1.536
H11	0.904	-1.406	-1.536

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4738	1.4738	1.8095	1.8095	2.3528	2.3528	2.4027	2.4027	2.4027	2.4027
O2	1.4738		2.5598	2.6601	2.6601	2.8971	2.8971	3.5751	2.8557	2.8557	3.5751
O3	1.4738	2.5598		2.6601	2.6601	2.8971	2.8971	2.8557	3.5751	3.5751	2.8557
C4	1.8095	2.6601	2.6601		2.8506	1.0918	3.7864	1.0912	1.0912	3.0342	3.0342
C5	1.8095	2.6601	2.6601	2.8506		3.7864	1.0918	3.0342	3.0342	1.0912	1.0912
H6	2.3528	2.8971	2.8971	1.0918	3.7864		4.6111	1.7907	1.7907	4.0215	4.0215
H7	2.3528	2.8971	2.8971	3.7864	1.0918	4.6111		4.0215	4.0215	1.7907	1.7907
H8	2.4027	3.5751	2.8557	1.0912	3.0342	1.7907	4.0215		1.8073	3.3426	2.8119
H9	2.4027	2.8557	3.5751	1.0912	3.0342	1.7907	4.0215	1.8073		2.8119	3.3426
H10	2.4027	2.8557	3.5751	3.0342	1.0912	4.0215	1.7907	3.3426	2.8119		1.8073
H11	2.4027	3.5751	2.8557	3.0342	1.0912	4.0215	1.7907	2.8119	3.3426	1.8073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.698	S1	C4	H8	109.342
S1	C4	H9	109.342	S1	C5	H7	105.698
S1	C5	H10	109.342	S1	C5	H11	109.342
O2	S1	O3	120.552	O2	S1	C4	107.787
O2	S1	C5	107.787	O3	S1	C4	107.787
O3	S1	C5	107.787	C4	S1	C5	103.937
H6	C4	H8	110.229	H6	C4	H9	110.229
H7	C5	H10	110.229	H7	C5	H11	110.229
H8	C4	H9	111.812	H10	C5	H11	111.812

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

using model chemistry: B3LYPultrafine/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

<r²>	130.462
(<r²>)^1/2	11.422

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

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

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