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	hartrees
Energy at 0K	-626.365017
Energy at 298.15K
HF Energy	-626.365017
Nuclear repulsion energy	274.399248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3099	3070	0.43
2	A₁	2990	2962	0.37
3	A₁	1374	1361	3.86
4	A₁	1261	1250	39.51
5	A₁	1140	1129	130.50
6	A₁	960	951	4.18
7	A₁	677	671	9.98
8	A₁	463	458	20.89
9	A₁	256	253	3.03
10	A₂	3105	3076	0.00
11	A₂	1360	1347	0.00
12	A₂	874	866	0.00
13	A₂	278	275	0.00
14	A₂	171	169	0.00
15	B₁	3108	3079	0.40
16	B₁	1382	1369	0.74
17	B₁	1325	1312	244.25
18	B₁	934	925	2.41
19	B₁	336	333	0.07
20	B₁	204	202	0.47
21	B₂	3098	3069	4.52
22	B₂	2988	2960	3.04
23	B₂	1360	1347	7.71
24	B₂	1244	1233	33.05
25	B₂	897	889	78.56
26	B₂	728	721	28.86
27	B₂	432	428	29.09

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.184
O2	-1.262	0.000	0.909
O3	1.262	0.000	0.909
C4	0.000	1.393	-0.908
C5	0.000	-1.393	-0.908
H6	0.000	2.272	-0.251
H7	0.000	-2.272	-0.251
H8	0.910	1.375	-1.520
H9	-0.910	1.375	-1.520
H10	-0.910	-1.375	-1.520
H11	0.910	-1.375	-1.520

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4558	1.4558	1.7698	1.7698	2.3131	2.3131	2.3708	2.3708	2.3708	2.3708
O2	1.4558		2.5245	2.6145	2.6145	2.8461	2.8461	3.5366	2.8133	2.8133	3.5366
O3	1.4558	2.5245		2.6145	2.6145	2.8461	2.8461	2.8133	3.5366	3.5366	2.8133
C4	1.7698	2.6145	2.6145		2.7855	1.0976	3.7231	1.0963	1.0963	2.9772	2.9772
C5	1.7698	2.6145	2.6145	2.7855		3.7231	1.0976	2.9772	2.9772	1.0963	1.0963
H6	2.3131	2.8461	2.8461	1.0976	3.7231		4.5437	1.8002	1.8002	3.9672	3.9672
H7	2.3131	2.8461	2.8461	3.7231	1.0976	4.5437		3.9672	3.9672	1.8002	1.8002
H8	2.3708	3.5366	2.8133	1.0963	2.9772	1.8002	3.9672		1.8195	3.2980	2.7507
H9	2.3708	2.8133	3.5366	1.0963	2.9772	1.8002	3.9672	1.8195		2.7507	3.2980
H10	2.3708	2.8133	3.5366	2.9772	1.0963	3.9672	1.8002	3.2980	2.7507		1.8195
H11	2.3708	3.5366	2.8133	2.9772	1.0963	3.9672	1.8002	2.7507	3.2980	1.8195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.123	S1	C4	H8	109.368
S1	C4	H9	109.368	S1	C5	H7	105.123
S1	C5	H10	109.368	S1	C5	H11	109.368
O2	S1	O3	120.238	O2	S1	C4	107.902
O2	S1	C5	107.902	O3	S1	C4	107.902
O3	S1	C5	107.902	C4	S1	C5	103.806
H6	C4	H8	110.285	H6	C4	H9	110.285
H7	C5	H10	110.285	H7	C5	H11	110.285
H8	C4	H9	112.165	H10	C5	H11	112.165

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

using model chemistry: LSDA/aug-cc-pVTZ

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	2.048
2	O	-0.905
3	O	-0.905
4	C	-0.734
5	C	-0.734
6	H	0.184
7	H	0.184
8	H	0.216
9	H	0.216
10	H	0.216
11	H	0.216

<r²>	126.695
(<r²>)^1/2	11.256

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

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

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