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	hartrees
Energy at 0K	-628.366842
Energy at 298.15K
HF Energy	-628.366842
Nuclear repulsion energy	272.440238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3212	3058	0.05
2	A₁	3098	2949	1.66
3	A₁	1466	1395	4.78
4	A₁	1368	1302	17.47
5	A₁	1151	1096	181.00
6	A₁	1020	971	0.17
7	A₁	687	654	8.89
8	A₁	475	452	27.01
9	A₁	267	254	2.70
10	A₂	3215	3060	0.00
11	A₂	1456	1386	0.00
12	A₂	945	900	0.00
13	A₂	289	275	0.00
14	A₂	191	181	0.00
15	B₁	3219	3064	0.55
16	B₁	1472	1401	11.67
17	B₁	1332	1268	276.51
18	B₁	1004	955	0.97
19	B₁	353	336	0.89
20	B₁	221	211	0.51
21	B₂	3211	3057	1.46
22	B₂	3096	2947	0.06
23	B₂	1455	1385	7.79
24	B₂	1348	1283	17.30
25	B₂	956	910	65.17
26	B₂	757	720	43.88
27	B₂	447	425	37.83

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.188
O2	-1.272	0.000	0.914
O3	1.272	0.000	0.914
C4	0.000	1.410	-0.915
C5	0.000	-1.410	-0.915
H6	0.000	2.291	-0.272
H7	0.000	-2.291	-0.272
H8	0.902	1.394	-1.527
H9	-0.902	1.394	-1.527
H10	-0.902	-1.394	-1.527
H11	0.902	-1.394	-1.527

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4643	1.4643	1.7904	1.7904	2.3363	2.3363	2.3869	2.3869	2.3869	2.3869
O2	1.4643		2.5431	2.6366	2.6366	2.8758	2.8758	3.5532	2.8349	2.8349	3.5532
O3	1.4643	2.5431		2.6366	2.6366	2.8758	2.8758	2.8349	3.5532	3.5532	2.8349
C4	1.7904	2.6366	2.6366		2.8200	1.0906	3.7561	1.0898	1.0898	3.0084	3.0084
C5	1.7904	2.6366	2.6366	2.8200		3.7561	1.0906	3.0084	3.0084	1.0898	1.0898
H6	2.3363	2.8758	2.8758	1.0906	3.7561		4.5811	1.7865	1.7865	3.9956	3.9956
H7	2.3363	2.8758	2.8758	3.7561	1.0906	4.5811		3.9956	3.9956	1.7865	1.7865
H8	2.3869	3.5532	2.8349	1.0898	3.0084	1.7865	3.9956		1.8042	3.3211	2.7883
H9	2.3869	2.8349	3.5532	1.0898	3.0084	1.7865	3.9956	1.8042		2.7883	3.3211
H10	2.3869	2.8349	3.5532	3.0084	1.0898	3.9956	1.7865	3.3211	2.7883		1.8042
H11	2.3869	3.5532	2.8349	3.0084	1.0898	3.9956	1.7865	2.7883	3.3211	1.8042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.800	S1	C4	H8	109.521
S1	C4	H9	109.521	S1	C5	H7	105.800
S1	C5	H10	109.521	S1	C5	H11	109.521
O2	S1	O3	120.544	O2	S1	C4	107.794
O2	S1	C5	107.794	O3	S1	C4	107.794
O3	S1	C5	107.794	C4	S1	C5	103.914
H6	C4	H8	110.038	H6	C4	H9	110.038
H7	C5	H10	110.038	H7	C5	H11	110.038
H8	C4	H9	111.745	H10	C5	H11	111.745

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

using model chemistry: mPW1PW91/6-31+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	0.870
2	O	-0.534
3	O	-0.534
4	C	-0.564
5	C	-0.564
6	H	0.236
7	H	0.236
8	H	0.213
9	H	0.213
10	H	0.213
11	H	0.213

<r²>	128.502
(<r²>)^1/2	11.336

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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