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	hartrees
Energy at 0K	-624.965920
Energy at 298.15K
HF Energy	-624.965920
Nuclear repulsion energy	258.702575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	3237	0.77
2	A₁	3124	3124	0.30
3	A₁	1507	1507	6.62
4	A₁	1410	1410	16.99
5	A₁	1078	1078	64.65
6	A₁	925	925	29.87
7	A₁	603	603	15.14
8	A₁	413	413	20.35
9	A₁	253	253	2.42
10	A₂	3243	3243	0.00
11	A₂	1511	1511	0.00
12	A₂	965	965	0.00
13	A₂	213	213	0.00
14	A₂	129	129	0.00
15	B₁	3247	3247	0.17
16	B₁	1527	1527	41.43
17	B₁	1173	1173	76.74
18	B₁	987	987	0.07
19	B₁	292	292	1.45
20	B₁	169	169	0.49
21	B₂	3236	3236	1.94
22	B₂	3122	3122	1.08
23	B₂	1494	1494	20.24
24	B₂	1387	1387	11.51
25	B₂	978	978	28.42
26	B₂	673	673	59.64
27	B₂	333	333	33.81

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.197
O2	-1.365	0.000	0.997
O3	1.365	0.000	0.997
C4	0.000	1.432	-0.995
C5	0.000	-1.432	-0.995
H6	0.000	2.339	-0.391
H7	0.000	-2.339	-0.391
H8	0.906	1.368	-1.596
H9	-0.906	1.368	-1.596
H10	-0.906	-1.368	-1.596
H11	0.906	-1.368	-1.596

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.5819	1.5819	1.8634	1.8634	2.4120	2.4120	2.4304	2.4304	2.4304	2.4304
O2	1.5819		2.7297	2.8072	2.8072	3.0430	3.0430	3.7080	2.9674	2.9674	3.7080
O3	1.5819	2.7297		2.8072	2.8072	3.0430	3.0430	2.9674	3.7080	3.7080	2.9674
C4	1.8634	2.8072	2.8072		2.8649	1.0896	3.8198	1.0892	1.0892	3.0037	3.0037
C5	1.8634	2.8072	2.8072	2.8649		3.8198	1.0896	3.0037	3.0037	1.0892	1.0892
H6	2.4120	3.0430	3.0430	1.0896	3.8198		4.6786	1.7940	1.7940	4.0018	4.0018
H7	2.4120	3.0430	3.0430	3.8198	1.0896	4.6786		4.0018	4.0018	1.7940	1.7940
H8	2.4304	3.7080	2.9674	1.0892	3.0037	1.7940	4.0018		1.8111	3.2803	2.7351
H9	2.4304	2.9674	3.7080	1.0892	3.0037	1.7940	4.0018	1.8111		2.7351	3.2803
H10	2.4304	2.9674	3.7080	3.0037	1.0892	4.0018	1.7940	3.2803	2.7351		1.8111
H11	2.4304	3.7080	2.9674	3.0037	1.0892	4.0018	1.7940	2.7351	3.2803	1.8111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.574	S1	C4	H8	107.911
S1	C4	H9	107.911	S1	C5	H7	106.574
S1	C5	H10	107.911	S1	C5	H11	107.911
O2	S1	O3	119.270	O2	S1	C4	108.863
O2	S1	C5	108.863	O3	S1	C4	108.863
O3	S1	C5	108.863	C4	S1	C5	100.481
H6	C4	H8	110.846	H6	C4	H9	110.846
H7	C5	H10	110.846	H7	C5	H11	110.846
H8	C4	H9	112.485	H10	C5	H11	112.485

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	S	1.421
2	O	-0.595
3	O	-0.595
4	C	-0.958
5	C	-0.958
6	H	0.301
7	H	0.301
8	H	0.271
9	H	0.271
10	H	0.271
11	H	0.271

<r²>	139.237
(<r²>)^1/2	11.800

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

using model chemistry: wB97X-D/3-21G

States and conformations

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