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	hartrees
Energy at 0K	-623.551469
Energy at 298.15K
HF Energy	-623.030101
Nuclear repulsion energy	258.022251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3240	3093	0.08
2	A₁	3126	2985	0.83
3	A₁	1543	1473	4.21
4	A₁	1430	1365	10.53
5	A₁	1087	1038	81.67
6	A₁	970	926	42.40
7	A₁	589	562	28.98
8	A₁	432	412	17.06
9	A₁	256	244	1.32
10	A₂	3241	3095	0.00
11	A₂	1542	1472	0.00
12	A₂	968	924	0.00
13	A₂	212	203	0.00
14	A₂	149	142	0.00
15	B₁	3245	3098	0.14
16	B₁	1557	1486	28.76
17	B₁	1208	1153	115.15
18	B₁	1009	964	0.01
19	B₁	296	283	3.72
20	B₁	180	172	0.53
21	B₂	3239	3092	0.61
22	B₂	3124	2983	0.20
23	B₂	1533	1463	13.61
24	B₂	1406	1343	5.70
25	B₂	985	940	26.51
26	B₂	659	629	82.88
27	B₂	340	325	32.20

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.202
O2	-1.363	0.000	1.001
O3	1.363	0.000	1.001
C4	0.000	1.440	-1.003
C5	0.000	-1.440	-1.003
H6	0.000	2.349	-0.401
H7	0.000	-2.349	-0.401
H8	0.906	1.370	-1.604
H9	-0.906	1.370	-1.604
H10	-0.906	-1.370	-1.604
H11	0.906	-1.370	-1.604

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.5800	1.5800	1.8778	1.8778	2.4254	2.4254	2.4414	2.4414	2.4414	2.4414
O2	1.5800		2.7263	2.8192	2.8192	3.0566	3.0566	3.7166	2.9788	2.9788	3.7166
O3	1.5800	2.7263		2.8192	2.8192	3.0566	3.0566	2.9788	3.7166	3.7166	2.9788
C4	1.8778	2.8192	2.8192		2.8801	1.0901	3.8366	1.0897	1.0897	3.0127	3.0127
C5	1.8778	2.8192	2.8192	2.8801		3.8366	1.0901	3.0127	3.0127	1.0897	1.0897
H6	2.4254	3.0566	3.0566	1.0901	3.8366		4.6982	1.7966	1.7966	4.0120	4.0120
H7	2.4254	3.0566	3.0566	3.8366	1.0901	4.6982		4.0120	4.0120	1.7966	1.7966
H8	2.4414	3.7166	2.9788	1.0897	3.0127	1.7966	4.0120		1.8118	3.2840	2.7390
H9	2.4414	2.9788	3.7166	1.0897	3.0127	1.7966	4.0120	1.8118		2.7390	3.2840
H10	2.4414	2.9788	3.7166	3.0127	1.0897	4.0120	1.7966	3.2840	2.7390		1.8118
H11	2.4414	3.7166	2.9788	3.0127	1.0897	4.0120	1.7966	2.7390	3.2840	1.8118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.578	S1	C4	H8	107.737
S1	C4	H9	107.737	S1	C5	H7	106.578
S1	C5	H10	107.737	S1	C5	H11	107.737
O2	S1	O3	119.258	O2	S1	C4	108.934
O2	S1	C5	108.934	O3	S1	C4	108.934
O3	S1	C5	108.934	C4	S1	C5	100.152
H6	C4	H8	111.017	H6	C4	H9	111.017
H7	C5	H10	111.017	H7	C5	H11	111.017
H8	C4	H9	112.467	H10	C5	H11	112.467

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

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G

States and conformations

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