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	hartrees
Energy at 0K	-626.456781
Energy at 298.15K
HF Energy	-626.456781
Nuclear repulsion energy	278.445327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3304	2991	2.72
2	A₁	3204	2901	2.36
3	A₁	1577	1428	1.75
4	A₁	1497	1355	25.81
5	A₁	1286	1164	194.54
6	A₁	1102	998	1.53
7	A₁	761	689	9.47
8	A₁	548	496	36.72
9	A₁	293	266	2.64
10	A₂	3305	2993	0.00
11	A₂	1564	1417	0.00
12	A₂	1023	926	0.00
13	A₂	323	293	0.00
14	A₂	195	177	0.00
15	B₁	3311	2998	7.47
16	B₁	1583	1433	2.30
17	B₁	1491	1350	290.34
18	B₁	1086	984	0.90
19	B₁	388	351	0.59
20	B₁	228	207	0.46
21	B₂	3302	2990	0.01
22	B₂	3201	2898	0.34
23	B₂	1568	1420	4.18
24	B₂	1479	1339	12.02
25	B₂	1035	937	90.97
26	B₂	823	745	33.21
27	B₂	504	457	52.42

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.188
O2	-1.225	0.000	0.896
O3	1.225	0.000	0.896
C4	0.000	1.395	-0.899
C5	0.000	-1.395	-0.899
H6	0.000	2.269	-0.261
H7	0.000	-2.269	-0.261
H8	0.893	1.383	-1.508
H9	-0.893	1.383	-1.508
H10	-0.893	-1.383	-1.508
H11	0.893	-1.383	-1.508

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4155	1.4155	1.7679	1.7679	2.3131	2.3131	2.3635	2.3635	2.3635	2.3635
O2	1.4155		2.4509	2.5824	2.5824	2.8267	2.8267	3.4903	2.7934	2.7934	3.4903
O3	1.4155	2.4509		2.5824	2.5824	2.8267	2.8267	2.7934	3.4903	3.4903	2.7934
C4	1.7679	2.5824	2.5824		2.7890	1.0824	3.7187	1.0815	1.0815	2.9802	2.9802
C5	1.7679	2.5824	2.5824	2.7890		3.7187	1.0824	2.9802	2.9802	1.0815	1.0815
H6	2.3131	2.8267	2.8267	1.0824	3.7187		4.5382	1.7718	1.7718	3.9608	3.9608
H7	2.3131	2.8267	2.8267	3.7187	1.0824	4.5382		3.9608	3.9608	1.7718	1.7718
H8	2.3635	3.4903	2.7934	1.0815	2.9802	1.7718	3.9608		1.7869	3.2922	2.7651
H9	2.3635	2.7934	3.4903	1.0815	2.9802	1.7718	3.9608	1.7869		2.7651	3.2922
H10	2.3635	2.7934	3.4903	2.9802	1.0815	3.9608	1.7718	3.2922	2.7651		1.7869
H11	2.3635	3.4903	2.7934	2.9802	1.0815	3.9608	1.7718	2.7651	3.2922	1.7869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.977	S1	C4	H8	109.729
S1	C4	H9	109.729	S1	C5	H7	105.977
S1	C5	H10	109.729	S1	C5	H11	109.729
O2	S1	O3	119.933	O2	S1	C4	107.917
O2	S1	C5	107.917	O3	S1	C4	107.917
O3	S1	C5	107.917	C4	S1	C5	104.146
H6	C4	H8	109.930	H6	C4	H9	109.930
H7	C5	H10	109.930	H7	C5	H11	109.930
H8	C4	H9	111.401	H10	C5	H11	111.401

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

using model chemistry: HF/6-31G(2df,p)

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	0.826
2	O	-0.444
3	O	-0.444
4	C	-0.534
5	C	-0.534
6	H	0.204
7	H	0.204
8	H	0.181
9	H	0.181
10	H	0.181
11	H	0.181

<r²>	124.145
(<r²>)^1/2	11.142

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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