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	hartrees
Energy at 0K	-628.091890
Energy at 298.15K
HF Energy	-627.795204
Nuclear repulsion energy	268.799007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3198	3076	0.52
2	A₁	3079	2961	2.78
3	A₁	1440	1385	3.26
4	A₁	1322	1271	10.86
5	A₁	1082	1040	138.15
6	A₁	989	951	3.81
7	A₁	654	629	7.17
8	A₁	442	425	22.95
9	A₁	258	249	2.61
10	A₂	3197	3075	0.00
11	A₂	1429	1375	0.00
12	A₂	918	883	0.00
13	A₂	278	267	0.00
14	A₂	161	154	0.00
15	B₁	3201	3079	1.43
16	B₁	1447	1391	9.35
17	B₁	1239	1192	229.29
18	B₁	968	931	0.01
19	B₁	334	321	0.37
20	B₁	194	187	0.32
21	B₂	3197	3075	0.73
22	B₂	3076	2959	0.00
23	B₂	1430	1375	6.19
24	B₂	1304	1254	7.64
25	B₂	931	896	45.77
26	B₂	721	694	35.33
27	B₂	426	410	35.58

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.186
O2	-1.298	0.000	0.927
O3	1.298	0.000	0.927
C4	0.000	1.424	-0.927
C5	0.000	-1.424	-0.927
H6	0.000	2.301	-0.271
H7	0.000	-2.301	-0.271
H8	0.910	1.395	-1.536
H9	-0.910	1.395	-1.536
H10	-0.910	-1.395	-1.536
H11	0.910	-1.395	-1.536

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4944	1.4944	1.8076	1.8076	2.3461	2.3461	2.3955	2.3955	2.3955	2.3955
O2	1.4944		2.5958	2.6739	2.6739	2.9008	2.9008	3.5894	2.8569	2.8569	3.5894
O3	1.4944	2.5958		2.6739	2.6739	2.9008	2.9008	2.8569	3.5894	3.5894	2.8569
C4	1.8076	2.6739	2.6739		2.8487	1.0952	3.7828	1.0949	1.0949	3.0247	3.0247
C5	1.8076	2.6739	2.6739	2.8487		3.7828	1.0952	3.0247	3.0247	1.0949	1.0949
H6	2.3461	2.9008	2.9008	1.0952	3.7828		4.6024	1.8022	1.8022	4.0114	4.0114
H7	2.3461	2.9008	2.9008	3.7828	1.0952	4.6024		4.0114	4.0114	1.8022	1.8022
H8	2.3955	3.5894	2.8569	1.0949	3.0247	1.8022	4.0114		1.8192	3.3313	2.7907
H9	2.3955	2.8569	3.5894	1.0949	3.0247	1.8022	4.0114	1.8192		2.7907	3.3313
H10	2.3955	2.8569	3.5894	3.0247	1.0949	4.0114	1.8022	3.3313	2.7907		1.8192
H11	2.3955	3.5894	2.8569	3.0247	1.0949	4.0114	1.8022	2.7907	3.3313	1.8192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.190	S1	C4	H8	108.752
S1	C4	H9	108.752	S1	C5	H7	105.190
S1	C5	H10	108.752	S1	C5	H11	108.752
O2	S1	O3	120.568	O2	S1	C4	107.771
O2	S1	C5	107.771	O3	S1	C4	107.771
O3	S1	C5	107.771	C4	S1	C5	103.992
H6	C4	H8	110.750	H6	C4	H9	110.750
H7	C5	H10	110.750	H7	C5	H11	110.750
H8	C4	H9	112.356	H10	C5	H11	112.356

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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