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	hartrees
Energy at 0K	-627.696917
Energy at 298.15K
HF Energy	-627.509613
Nuclear repulsion energy	252.800938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3250	3250	0.21
2	A₁	3117	3117	2.08
3	A₁	1507	1507	6.54
4	A₁	1400	1400	2.81
5	A₁	1076	1076	42.72
6	A₁	821	821	45.53
7	A₁	570	570	8.21
8	A₁	354	354	20.43
9	A₁	219	219	3.27
10	A₂	3246	3246	0.00
11	A₂	1509	1509	0.00
12	A₂	982	982	0.00
13	A₂	207	207	0.00
14	A₂	145	145	0.00
15	B₁	3249	3249	0.12
16	B₁	1519	1519	30.37
17	B₁	1088	1088	57.95
18	B₁	916	916	26.39
19	B₁	275	275	1.19
20	B₁	166	166	0.53
21	B₂	3249	3249	1.76
22	B₂	3115	3115	0.01
23	B₂	1498	1498	14.39
24	B₂	1376	1376	0.49
25	B₂	988	988	14.77
26	B₂	659	659	37.48
27	B₂	312	312	36.73

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.181
O2	-1.432	0.000	0.989
O3	1.432	0.000	0.989
C4	0.000	1.490	-0.979
C5	0.000	-1.490	-0.979
H6	0.000	2.361	-0.327
H7	0.000	-2.361	-0.327
H8	0.908	1.441	-1.578
H9	-0.908	1.441	-1.578
H10	-0.908	-1.441	-1.578
H11	0.908	-1.441	-1.578

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6446	1.6446	1.8882	1.8882	2.4151	2.4151	2.4479	2.4479	2.4479	2.4479
O2	1.6446		2.8647	2.8539	2.8539	3.0591	3.0591	3.7604	2.9897	2.9897	3.7604
O3	1.6446	2.8647		2.8539	2.8539	3.0591	3.0591	2.9897	3.7604	3.7604	2.9897
C4	1.8882	2.8539	2.8539		2.9795	1.0886	3.9058	1.0886	1.0886	3.1256	3.1256
C5	1.8882	2.8539	2.8539	2.9795		3.9058	1.0886	3.1256	3.1256	1.0886	1.0886
H6	2.4151	3.0591	3.0591	1.0886	3.9058		4.7223	1.7992	1.7992	4.1039	4.1039
H7	2.4151	3.0591	3.0591	3.9058	1.0886	4.7223		4.1039	4.1039	1.7992	1.7992
H8	2.4479	3.7604	2.9897	1.0886	3.1256	1.7992	4.1039		1.8160	3.4056	2.8811
H9	2.4479	2.9897	3.7604	1.0886	3.1256	1.7992	4.1039	1.8160		2.8811	3.4056
H10	2.4479	2.9897	3.7604	3.1256	1.0886	4.1039	1.7992	3.4056	2.8811		1.8160
H11	2.4479	3.7604	2.9897	3.1256	1.0886	4.1039	1.7992	2.8811	3.4056	1.8160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.267	S1	C4	H8	107.584
S1	C4	H9	107.584	S1	C5	H7	105.267
S1	C5	H10	107.584	S1	C5	H11	107.584
O2	S1	O3	121.137	O2	S1	C4	107.572
O2	S1	C5	107.572	O3	S1	C4	107.572
O3	S1	C5	107.572	C4	S1	C5	104.183
H6	C4	H8	111.452	H6	C4	H9	111.452
H7	C5	H10	111.452	H7	C5	H11	111.452
H8	C4	H9	113.040	H10	C5	H11	113.040

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

using model chemistry: B2PLYP=FULL/6-31G

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: B2PLYP=FULL/6-31G

States and conformations

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