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	hartrees
Energy at 0K	-626.547042
Energy at 298.15K
HF Energy	-626.547042
Nuclear repulsion energy	277.630624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3289	2994	2.90
2	A₁	3196	2909	2.76
3	A₁	1578	1436	3.37
4	A₁	1495	1361	22.82
5	A₁	1274	1159	205.56
6	A₁	1106	1006	0.70
7	A₁	755	687	9.76
8	A₁	545	496	39.33
9	A₁	291	265	2.69
10	A₂	3293	2997	0.00
11	A₂	1568	1427	0.00
12	A₂	1030	938	0.00
13	A₂	327	298	0.00
14	A₂	202	184	0.00
15	B₁	3299	3002	6.78
16	B₁	1585	1442	5.34
17	B₁	1468	1336	302.10
18	B₁	1092	994	0.52
19	B₁	391	356	0.81
20	B₁	236	215	0.51
21	B₂	3288	2992	0.00
22	B₂	3192	2905	0.17
23	B₂	1569	1428	4.48
24	B₂	1479	1346	11.72
25	B₂	1039	945	86.00
26	B₂	822	748	35.94
27	B₂	503	458	57.63

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.184
O2	-1.229	0.000	0.901
O3	1.229	0.000	0.901
C4	0.000	1.399	-0.901
C5	0.000	-1.399	-0.901
H6	0.000	2.270	-0.261
H7	0.000	-2.270	-0.261
H8	0.893	1.385	-1.508
H9	-0.893	1.385	-1.508
H10	-0.893	-1.385	-1.508
H11	0.893	-1.385	-1.508

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4235	1.4235	1.7702	1.7702	2.3129	2.3129	2.3613	2.3613	2.3613	2.3613
O2	1.4235		2.4588	2.5917	2.5917	2.8310	2.8310	3.4964	2.7990	2.7990	3.4964
O3	1.4235	2.4588		2.5917	2.5917	2.8310	2.8310	2.7990	3.4964	3.4964	2.7990
C4	1.7702	2.5917	2.5917		2.7977	1.0805	3.7238	1.0795	1.0795	2.9857	2.9857
C5	1.7702	2.5917	2.5917	2.7977		3.7238	1.0805	2.9857	2.9857	1.0795	1.0795
H6	2.3129	2.8310	2.8310	1.0805	3.7238		4.5393	1.7701	1.7701	3.9631	3.9631
H7	2.3129	2.8310	2.8310	3.7238	1.0805	4.5393		3.9631	3.9631	1.7701	1.7701
H8	2.3613	3.4964	2.7990	1.0795	2.9857	1.7701	3.9631		1.7857	3.2956	2.7699
H9	2.3613	2.7990	3.4964	1.0795	2.9857	1.7701	3.9631	1.7857		2.7699	3.2956
H10	2.3613	2.7990	3.4964	2.9857	1.0795	3.9631	1.7701	3.2956	2.7699		1.7857
H11	2.3613	3.4964	2.7990	2.9857	1.0795	3.9631	1.7701	2.7699	3.2956	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.902	S1	C4	H8	109.522
S1	C4	H9	109.522	S1	C5	H7	105.902
S1	C5	H10	109.522	S1	C5	H11	109.522
O2	S1	O3	119.455	O2	S1	C4	107.995
O2	S1	C5	107.995	O3	S1	C4	107.995
O3	S1	C5	107.995	C4	S1	C5	104.411
H6	C4	H8	110.063	H6	C4	H9	110.063
H7	C5	H10	110.063	H7	C5	H11	110.063
H8	C4	H9	111.607	H10	C5	H11	111.607

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

using model chemistry: HF/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	0.985
2	O	-0.562
3	O	-0.562
4	C	-0.297
5	C	-0.297
6	H	0.135
7	H	0.135
8	H	0.116
9	H	0.116
10	H	0.116
11	H	0.116

	x	y	z	Total
	0.000	0.000	-4.993	4.993
CHELPG
AIM
ESP	-0.001	0.000	-5.015	5.015

<r²>	124.921
(<r²>)^1/2	11.177

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

using model chemistry: HF/cc-pVTZ

States and conformations

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