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	hartrees
Energy at 0K	-624.926429
Energy at 298.15K
HF Energy	-624.926429
Nuclear repulsion energy	257.240918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3220	3095	0.17
2	A₁	3102	2982	0.55
3	A₁	1498	1440	5.72
4	A₁	1384	1330	12.91
5	A₁	1061	1020	62.73
6	A₁	913	878	28.72
7	A₁	571	549	18.04
8	A₁	402	386	16.18
9	A₁	241	232	2.03
10	A₂	3221	3096	0.00
11	A₂	1499	1440	0.00
12	A₂	945	909	0.00
13	A₂	201	193	0.00
14	A₂	136	131	0.00
15	B₁	3225	3100	0.04
16	B₁	1515	1456	35.32
17	B₁	1156	1111	75.65
18	B₁	969	931	0.05
19	B₁	281	270	1.30
20	B₁	171	164	0.41
21	B₂	3219	3094	0.96
22	B₂	3100	2979	0.47
23	B₂	1486	1428	17.91
24	B₂	1360	1307	8.09
25	B₂	959	922	26.03
26	B₂	639	614	64.73
27	B₂	320	307	27.12

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.201
O2	-1.371	0.000	1.003
O3	1.371	0.000	1.003
C4	0.000	1.443	-1.004
C5	0.000	-1.443	-1.004
H6	0.000	2.349	-0.396
H7	0.000	-2.349	-0.396
H8	0.907	1.376	-1.605
H9	-0.907	1.376	-1.605
H10	-0.907	-1.376	-1.605
H11	0.907	-1.376	-1.605

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.5883	1.5883	1.8802	1.8802	2.4232	2.4232	2.4455	2.4455	2.4455	2.4455
O2	1.5883		2.7429	2.8266	2.8266	3.0580	3.0580	3.7265	2.9848	2.9848	3.7265
O3	1.5883	2.7429		2.8266	2.8266	3.0580	3.0580	2.9848	3.7265	3.7265	2.9848
C4	1.8802	2.8266	2.8266		2.8861	1.0909	3.8401	1.0906	1.0906	3.0219	3.0219
C5	1.8802	2.8266	2.8266	2.8861		3.8401	1.0909	3.0219	3.0219	1.0906	1.0906
H6	2.4232	3.0580	3.0580	1.0909	3.8401		4.6970	1.7979	1.7979	4.0198	4.0198
H7	2.4232	3.0580	3.0580	3.8401	1.0909	4.6970		4.0198	4.0198	1.7979	1.7979
H8	2.4455	3.7265	2.9848	1.0906	3.0219	1.7979	4.0198		1.8149	3.2966	2.7520
H9	2.4455	2.9848	3.7265	1.0906	3.0219	1.7979	4.0198	1.8149		2.7520	3.2966
H10	2.4455	2.9848	3.7265	3.0219	1.0906	4.0198	1.7979	3.2966	2.7520		1.8149
H11	2.4455	3.7265	2.9848	3.0219	1.0906	4.0198	1.7979	2.7520	3.2966	1.8149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.229	S1	C4	H8	107.831
S1	C4	H9	107.831	S1	C5	H7	106.229
S1	C5	H10	107.831	S1	C5	H11	107.831
O2	S1	O3	119.411	O2	S1	C4	108.867
O2	S1	C5	108.867	O3	S1	C4	108.867
O3	S1	C5	108.867	C4	S1	C5	100.258
H6	C4	H8	111.007	H6	C4	H9	111.007
H7	C5	H10	111.007	H7	C5	H11	111.007
H8	C4	H9	112.624	H10	C5	H11	112.624

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

using model chemistry: B3PW91/3-21G

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	1.368
2	O	-0.572
3	O	-0.572
4	C	-0.948
5	C	-0.948
6	H	0.298
7	H	0.298
8	H	0.270
9	H	0.270
10	H	0.270
11	H	0.270

<r²>	140.618
(<r²>)^1/2	11.858

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

using model chemistry: B3PW91/3-21G

States and conformations

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