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	hartrees
Energy at 0K	-626.223071
Energy at 298.15K
HF Energy	-626.223071
Nuclear repulsion energy	272.204373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3124	3078	0.54
2	A₁	3007	2963	0.43
3	A₁	1388	1367	5.83
4	A₁	1285	1265	29.99
5	A₁	1126	1109	157.21
6	A₁	972	957	2.96
7	A₁	674	664	9.52
8	A₁	455	449	22.69
9	A₁	256	252	2.86
10	A₂	3128	3081	0.00
11	A₂	1376	1356	0.00
12	A₂	887	874	0.00
13	A₂	275	271	0.00
14	A₂	183	180	0.00
15	B₁	3131	3084	0.25
16	B₁	1395	1374	9.22
17	B₁	1309	1290	259.04
18	B₁	948	934	2.35
19	B₁	337	332	0.50
20	B₁	218	215	0.58
21	B₂	3124	3077	4.36
22	B₂	3005	2961	1.88
23	B₂	1375	1355	10.52
24	B₂	1263	1244	34.31
25	B₂	908	895	76.10
26	B₂	733	722	36.70
27	B₂	428	421	31.28

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.186
O2	-1.279	0.000	0.914
O3	1.279	0.000	0.914
C4	0.000	1.401	-0.914
C5	0.000	-1.401	-0.914
H6	0.000	2.287	-0.260
H7	0.000	-2.287	-0.260
H8	0.912	1.386	-1.529
H9	-0.912	1.386	-1.529
H10	-0.912	-1.386	-1.529
H11	0.912	-1.386	-1.529

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4709	1.4709	1.7811	1.7811	2.3305	2.3305	2.3863	2.3863	2.3863	2.3863
O2	1.4709		2.5571	2.6336	2.6336	2.8714	2.8714	3.5615	2.8322	2.8322	3.5615
O3	1.4709	2.5571		2.6336	2.6336	2.8714	2.8714	2.8322	3.5615	3.5615	2.8322
C4	1.7811	2.6336	2.6336		2.8019	1.1010	3.7456	1.1002	1.1002	2.9961	2.9961
C5	1.7811	2.6336	2.6336	2.8019		3.7456	1.1010	2.9961	2.9961	1.1002	1.1002
H6	2.3305	2.8714	2.8714	1.1010	3.7456		4.5746	1.8037	1.8037	3.9916	3.9916
H7	2.3305	2.8714	2.8714	3.7456	1.1010	4.5746		3.9916	3.9916	1.8037	1.8037
H8	2.3863	3.5615	2.8322	1.1002	2.9961	1.8037	3.9916		1.8236	3.3178	2.7717
H9	2.3863	2.8322	3.5615	1.1002	2.9961	1.8037	3.9916	1.8236		2.7717	3.3178
H10	2.3863	2.8322	3.5615	2.9961	1.1002	3.9916	1.8037	3.3178	2.7717		1.8236
H11	2.3863	3.5615	2.8322	2.9961	1.1002	3.9916	1.8037	2.7717	3.3178	1.8236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.479	S1	C4	H8	109.552
S1	C4	H9	109.552	S1	C5	H7	105.479
S1	C5	H10	109.552	S1	C5	H11	109.552
O2	S1	O3	120.739	O2	S1	C4	107.777
O2	S1	C5	107.777	O3	S1	C4	107.777
O3	S1	C5	107.777	C4	S1	C5	103.728
H6	C4	H8	110.053	H6	C4	H9	110.053
H7	C5	H10	110.053	H7	C5	H11	110.053
H8	C4	H9	111.947	H10	C5	H11	111.947

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

using model chemistry: SVWN/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	0.743
2	O	-0.473
3	O	-0.473
4	C	-0.616
5	C	-0.616
6	H	0.254
7	H	0.254
8	H	0.232
9	H	0.232
10	H	0.232
11	H	0.232

<r²>	128.516
(<r²>)^1/2	11.336

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

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

States and conformations

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