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	hartrees
Energy at 0K	-628.411657
Energy at 298.15K
HF Energy	-628.411657
Nuclear repulsion energy	267.370346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3086	3074	2.05
2	A₁	2989	2977	2.87
3	A₁	1425	1419	4.40
4	A₁	1308	1303	9.65
5	A₁	1061	1057	160.60
6	A₁	967	963	2.97
7	A₁	592	590	15.79
8	A₁	439	437	18.11
9	A₁	255	254	2.20
10	A₂	3087	3074	0.00
11	A₂	1412	1407	0.00
12	A₂	899	895	0.00
13	A₂	270	269	0.00
14	A₂	169	169	0.00
15	B₁	3091	3078	5.73
16	B₁	1426	1421	15.51
17	B₁	1236	1231	195.14
18	B₁	953	949	0.13
19	B₁	333	332	0.49
20	B₁	197	196	0.50
21	B₂	3084	3072	0.04
22	B₂	2986	2974	0.27
23	B₂	1415	1410	7.99
24	B₂	1289	1284	6.95
25	B₂	913	910	47.96
26	B₂	662	660	64.46
27	B₂	411	410	25.43

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.201
O2	-1.294	0.000	0.930
O3	1.294	0.000	0.930
C4	0.000	1.445	-0.942
C5	0.000	-1.445	-0.942
H6	0.000	2.327	-0.291
H7	0.000	-2.327	-0.291
H8	0.908	1.423	-1.553
H9	-0.908	1.423	-1.553
H10	-0.908	-1.423	-1.553
H11	0.908	-1.423	-1.553

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4851	1.4851	1.8422	1.8422	2.3783	2.3783	2.4348	2.4348	2.4348	2.4348
O2	1.4851		2.5874	2.6956	2.6956	2.9291	2.9291	3.6115	2.8883	2.8883	3.6115
O3	1.4851	2.5874		2.6956	2.6956	2.9291	2.9291	2.8883	3.6115	3.6115	2.8883
C4	1.8422	2.6956	2.6956		2.8902	1.0958	3.8276	1.0954	1.0954	3.0703	3.0703
C5	1.8422	2.6956	2.6956	2.8902		3.8276	1.0958	3.0703	3.0703	1.0954	1.0954
H6	2.3783	2.9291	2.9291	1.0958	3.8276		4.6537	1.7986	1.7986	4.0597	4.0597
H7	2.3783	2.9291	2.9291	3.8276	1.0958	4.6537		4.0597	4.0597	1.7986	1.7986
H8	2.4348	3.6115	2.8883	1.0954	3.0703	1.7986	4.0597		1.8169	3.3769	2.8464
H9	2.4348	2.8883	3.6115	1.0954	3.0703	1.7986	4.0597	1.8169		2.8464	3.3769
H10	2.4348	2.8883	3.6115	3.0703	1.0954	4.0597	1.7986	3.3769	2.8464		1.8169
H11	2.4348	3.6115	2.8883	3.0703	1.0954	4.0597	1.7986	2.8464	3.3769	1.8169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.251	S1	C4	H8	109.309
S1	C4	H9	109.309	S1	C5	H7	105.251
S1	C5	H10	109.309	S1	C5	H11	109.309
O2	S1	O3	121.173	O2	S1	C4	107.734
O2	S1	C5	107.734	O3	S1	C4	107.734
O3	S1	C5	107.734	C4	S1	C5	103.335
H6	C4	H8	110.338	H6	C4	H9	110.338
H7	C5	H10	110.338	H7	C5	H11	110.338
H8	C4	H9	112.061	H10	C5	H11	112.061

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

using model chemistry: BLYP/6-311G**

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	0.831
2	O	-0.454
3	O	-0.454
4	C	-0.443
5	C	-0.443
6	H	0.178
7	H	0.178
8	H	0.152
9	H	0.152
10	H	0.152
11	H	0.152

<r²>	133.130
(<r²>)^1/2	11.538

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

using model chemistry: BLYP/6-311G**

States and conformations

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