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	hartrees
Energy at 0K	-623.799100
Energy at 298.15K
HF Energy	-623.302791
Nuclear repulsion energy	274.910887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3008	0.86
2	A₁	3152	2933	0.71
3	A₁	1583	1473	4.95
4	A₁	1511	1406	24.85
5	A₁	1238	1152	194.99
6	A₁	1105	1028	0.00
7	A₁	746	694	15.34
8	A₁	531	494	32.87
9	A₁	311	289	2.46
10	A₂	3240	3015	0.00
11	A₂	1569	1460	0.00
12	A₂	1037	965	0.00
13	A₂	306	285	0.00
14	A₂	207	193	0.00
15	B₁	3245	3019	3.24
16	B₁	1585	1475	17.98
17	B₁	1456	1355	227.85
18	B₁	1100	1023	2.28
19	B₁	387	360	1.83
20	B₁	237	220	0.63
21	B₂	3231	3006	0.10
22	B₂	3148	2929	0.08
23	B₂	1574	1464	10.15
24	B₂	1497	1393	36.05
25	B₂	1046	974	78.37
26	B₂	819	762	70.31
27	B₂	474	441	46.40

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.194
O2	-1.256	0.000	0.918
O3	1.256	0.000	0.918
C4	0.000	1.376	-0.918
C5	0.000	-1.376	-0.918
H6	0.000	2.284	-0.313
H7	0.000	-2.284	-0.313
H8	0.894	1.362	-1.538
H9	-0.894	1.362	-1.538
H10	-0.894	-1.362	-1.538
H11	0.894	-1.362	-1.538

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4499	1.4499	1.7689	1.7689	2.3393	2.3393	2.3776	2.3776	2.3776	2.3776
O2	1.4499		2.5118	2.6156	2.6156	2.8826	2.8826	3.5370	2.8316	2.8316	3.5370
O3	1.4499	2.5118		2.6156	2.6156	2.8826	2.8826	2.8316	3.5370	3.5370	2.8316
C4	1.7689	2.6156	2.6156		2.7525	1.0902	3.7095	1.0886	1.0886	2.9463	2.9463
C5	1.7689	2.6156	2.6156	2.7525		3.7095	1.0902	2.9463	2.9463	1.0886	1.0886
H6	2.3393	2.8826	2.8826	1.0902	3.7095		4.5674	1.7748	1.7748	3.9482	3.9482
H7	2.3393	2.8826	2.8826	3.7095	1.0902	4.5674		3.9482	3.9482	1.7748	1.7748
H8	2.3776	3.5370	2.8316	1.0886	2.9463	1.7748	3.9482		1.7886	3.2581	2.7233
H9	2.3776	2.8316	3.5370	1.0886	2.9463	1.7748	3.9482	1.7886		2.7233	3.2581
H10	2.3776	2.8316	3.5370	2.9463	1.0886	3.9482	1.7748	3.2581	2.7233		1.7886
H11	2.3776	3.5370	2.8316	2.9463	1.0886	3.9482	1.7748	2.7233	3.2581	1.7886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	107.425	S1	C4	H8	110.344
S1	C4	H9	110.344	S1	C5	H7	107.425
S1	C5	H10	110.344	S1	C5	H11	110.344
O2	S1	O3	120.042	O2	S1	C4	108.295
O2	S1	C5	108.295	O3	S1	C4	108.295
O3	S1	C5	108.295	C4	S1	C5	102.161
H6	C4	H8	109.092	H6	C4	H9	109.092
H7	C5	H10	109.092	H7	C5	H11	109.092
H8	C4	H9	110.474	H10	C5	H11	110.474

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

using model chemistry: CID/3-21G*

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

using model chemistry: CID/3-21G*

States and conformations

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