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	hartrees
Energy at 0K	-627.338019
Energy at 298.15K
HF Energy	-626.435016
Nuclear repulsion energy	270.616507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3210	3210	0.55
2	A₁	3094	3094	1.97
3	A₁	1451	1451	3.15
4	A₁	1344	1344	15.77
5	A₁	1126	1126	160.90
6	A₁	1007	1007	0.20
7	A₁	695	695	6.54
8	A₁	468	468	29.10
9	A₁	265	265	2.57
10	A₂	3211	3211	0.00
11	A₂	1442	1442	0.00
12	A₂	932	932	0.00
13	A₂	291	291	0.00
14	A₂	173	173	0.00
15	B₁	3214	3214	1.50
16	B₁	1459	1459	7.95
17	B₁	1296	1296	259.42
18	B₁	986	986	0.29
19	B₁	348	348	0.57
20	B₁	204	204	0.33
21	B₂	3209	3209	0.40
22	B₂	3092	3092	0.09
23	B₂	1442	1442	4.98
24	B₂	1328	1328	9.51
25	B₂	947	947	57.41
26	B₂	754	754	28.62
27	B₂	448	448	44.48

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.186
O2	-1.285	0.000	0.922
O3	1.285	0.000	0.922
C4	0.000	1.414	-0.921
C5	0.000	-1.414	-0.921
H6	0.000	2.296	-0.268
H7	0.000	-2.296	-0.268
H8	0.911	1.383	-1.532
H9	-0.911	1.383	-1.532
H10	-0.911	-1.383	-1.532
H11	0.911	-1.383	-1.532

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4809	1.4809	1.7955	1.7955	2.3405	2.3405	2.3863	2.3863	2.3863	2.3863
O2	1.4809		2.5700	2.6545	2.6545	2.8877	2.8877	3.5719	2.8415	2.8415	3.5719
O3	1.4809	2.5700		2.6545	2.6545	2.8877	2.8877	2.8415	3.5719	3.5719	2.8415
C4	1.7955	2.6545	2.6545		2.8273	1.0979	3.7668	1.0975	1.0975	3.0045	3.0045
C5	1.7955	2.6545	2.6545	2.8273		3.7668	1.0979	3.0045	3.0045	1.0975	1.0975
H6	2.3405	2.8877	2.8877	1.0979	3.7668		4.5923	1.8059	1.8059	3.9958	3.9958
H7	2.3405	2.8877	2.8877	3.7668	1.0979	4.5923		3.9958	3.9958	1.8059	1.8059
H8	2.3863	3.5719	2.8415	1.0975	3.0045	1.8059	3.9958		1.8229	3.3132	2.7666
H9	2.3863	2.8415	3.5719	1.0975	3.0045	1.8059	3.9958	1.8229		2.7666	3.3132
H10	2.3863	2.8415	3.5719	3.0045	1.0975	3.9958	1.8059	3.3132	2.7666		1.8229
H11	2.3863	3.5719	2.8415	3.0045	1.0975	3.9958	1.8059	2.7666	3.3132	1.8229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.429	S1	C4	H8	108.740
S1	C4	H9	108.740	S1	C5	H7	105.429
S1	C5	H10	108.740	S1	C5	H11	108.740
O2	S1	O3	120.385	O2	S1	C4	107.846
O2	S1	C5	107.846	O3	S1	C4	107.846
O3	S1	C5	107.846	C4	S1	C5	103.877
H6	C4	H8	110.686	H6	C4	H9	110.686
H7	C5	H10	110.686	H7	C5	H11	110.686
H8	C4	H9	112.291	H10	C5	H11	112.291

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

using model chemistry: MP3=FULL/aug-cc-pVDZ

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: MP3=FULL/aug-cc-pVDZ

States and conformations

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