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	hartrees
Energy at 0K	-619.075103
Energy at 298.15K
HF Energy	-618.864246
Nuclear repulsion energy	250.006840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3566	3170	0.60
2	A₁	3360	2986	4.25
3	A₁	1679	1492	0.41
4	A₁	1504	1337	1.25
5	A₁	1068	949	31.86
6	A₁	678	603	10.34
7	A₁	518	460	119.09
8	A₁	293	261	2.10
9	A₁	212	189	1.98
10	A₂	3563	3167	0.00
11	A₂	1684	1497	0.00
12	A₂	983	874	0.00
13	A₂	212	188	0.00
14	A₂	84	75	0.00
15	B₁	3563	3168	0.15
16	B₁	1690	1502	7.18
17	B₁	1044	928	23.99
18	B₁	625	556	19.06
19	B₁	285	253	3.40
20	B₁	127	113	0.17
21	B₂	3565	3169	0.61
22	B₂	3359	2986	8.34
23	B₂	1676	1490	3.15
24	B₂	1485	1320	9.40
25	B₂	978	869	6.88
26	B₂	704	625	58.02
27	B₂	267	237	14.74

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.228
O2	-1.454	0.000	1.038
O3	1.454	0.000	1.038
C4	0.000	1.416	-1.048
C5	0.000	-1.416	-1.048
H6	0.000	2.370	-0.496
H7	0.000	-2.370	-0.496
H8	0.908	1.338	-1.670
H9	-0.908	1.338	-1.670
H10	-0.908	-1.338	-1.670
H11	0.908	-1.338	-1.670

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6642	1.6642	1.9061	1.9061	2.4779	2.4779	2.4935	2.4935	2.4935	2.4935
O2	1.6642		2.9080	2.9103	2.9103	3.1752	3.1752	3.8342	3.0694	3.0694	3.8342
O3	1.6642	2.9080		2.9103	2.9103	3.1752	3.1752	3.0694	3.8342	3.8342	3.0694
C4	1.9061	2.9103	2.9103		2.8310	1.1026	3.8254	1.1031	1.1031	2.9653	2.9653
C5	1.9061	2.9103	2.9103	2.8310		3.8254	1.1026	2.9653	2.9653	1.1031	1.1031
H6	2.4779	3.1752	3.1752	1.1026	3.8254		4.7396	1.8076	1.8076	3.9938	3.9938
H7	2.4779	3.1752	3.1752	3.8254	1.1026	4.7396		3.9938	3.9938	1.8076	1.8076
H8	2.4935	3.8342	3.0694	1.1031	2.9653	1.8076	3.9938		1.8158	3.2339	2.6760
H9	2.4935	3.0694	3.8342	1.1031	2.9653	1.8076	3.9938	1.8158		2.6760	3.2339
H10	2.4935	3.0694	3.8342	2.9653	1.1031	3.9938	1.8076	3.2339	2.6760		1.8158
H11	2.4935	3.8342	3.0694	2.9653	1.1031	3.9938	1.8076	2.6760	3.2339	1.8158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	107.887	S1	C4	H8	108.981
S1	C4	H9	108.981	S1	C5	H7	107.887
S1	C5	H10	108.981	S1	C5	H11	108.981
O2	S1	O3	121.775	O2	S1	C4	109.015
O2	S1	C5	109.015	O3	S1	C4	109.015
O3	S1	C5	109.015	C4	S1	C5	95.913
H6	C4	H8	110.072	H6	C4	H9	110.072
H7	C5	H10	110.072	H7	C5	H11	110.072
H8	C4	H9	110.785	H10	C5	H11	110.785

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

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

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/STO-3G

States and conformations

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