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	hartrees
Energy at 0K	-628.363762
Energy at 298.15K
HF Energy	-628.363762
Nuclear repulsion energy	270.033626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3119	3119	4.71
2	A₁	3013	3013	4.73
3	A₁	1449	1449	3.53
4	A₁	1336	1336	13.09
5	A₁	1095	1095	172.31
6	A₁	992	992	0.98
7	A₁	623	623	14.24
8	A₁	454	454	20.68
9	A₁	263	263	2.21
10	A₂	3118	3118	0.00
11	A₂	1436	1436	0.00
12	A₂	923	923	0.00
13	A₂	277	277	0.00
14	A₂	175	175	0.00
15	B₁	3123	3123	10.76
16	B₁	1453	1453	14.18
17	B₁	1278	1278	214.62
18	B₁	979	979	0.45
19	B₁	343	343	0.49
20	B₁	209	209	0.55
21	B₂	3117	3117	0.10
22	B₂	3010	3010	1.44
23	B₂	1439	1439	8.25
24	B₂	1316	1316	12.14
25	B₂	934	934	54.21
26	B₂	691	691	60.29
27	B₂	425	425	28.07

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.200
O2	-1.282	0.000	0.923
O3	1.282	0.000	0.923
C4	0.000	1.422	-0.933
C5	0.000	-1.422	-0.933
H6	0.000	2.307	-0.292
H7	0.000	-2.307	-0.292
H8	0.905	1.399	-1.545
H9	-0.905	1.399	-1.545
H10	-0.905	-1.399	-1.545
H11	0.905	-1.399	-1.545

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4721	1.4721	1.8178	1.8178	2.3590	2.3590	2.4124	2.4124	2.4124	2.4124
O2	1.4721		2.5643	2.6664	2.6664	2.9058	2.9058	3.5820	2.8617	2.8617	3.5820
O3	1.4721	2.5643		2.6664	2.6664	2.9058	2.9058	2.8617	3.5820	3.5820	2.8617
C4	1.8178	2.6664	2.6664		2.8433	1.0931	3.7835	1.0928	1.0928	3.0246	3.0246
C5	1.8178	2.6664	2.6664	2.8433		3.7835	1.0931	3.0246	3.0246	1.0928	1.0928
H6	2.3590	2.9058	2.9058	1.0931	3.7835		4.6143	1.7928	1.7928	4.0152	4.0152
H7	2.3590	2.9058	2.9058	3.7835	1.0931	4.6143		4.0152	4.0152	1.7928	1.7928
H8	2.4124	3.5820	2.8617	1.0928	3.0246	1.7928	4.0152		1.8101	3.3319	2.7974
H9	2.4124	2.8617	3.5820	1.0928	3.0246	1.7928	4.0152	1.8101		2.7974	3.3319
H10	2.4124	2.8617	3.5820	3.0246	1.0928	4.0152	1.7928	3.3319	2.7974		1.8101
H11	2.4124	3.5820	2.8617	3.0246	1.0928	4.0152	1.7928	2.7974	3.3319	1.8101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.559	S1	C4	H8	109.423
S1	C4	H9	109.423	S1	C5	H7	105.559
S1	C5	H10	109.423	S1	C5	H11	109.423
O2	S1	O3	121.148	O2	S1	C4	107.828
O2	S1	C5	107.828	O3	S1	C4	107.828
O3	S1	C5	107.828	C4	S1	C5	102.905
H6	C4	H8	110.203	H6	C4	H9	110.203
H7	C5	H10	110.203	H7	C5	H11	110.203
H8	C4	H9	111.834	H10	C5	H11	111.834

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

using model chemistry: B97D3/6-311G*

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	0.931
2	O	-0.470
3	O	-0.470
4	C	-0.774
5	C	-0.774
6	H	0.277
7	H	0.277
8	H	0.250
9	H	0.250
10	H	0.250
11	H	0.250

<r²>	130.543
(<r²>)^1/2	11.426

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

using model chemistry: B97D3/6-311G*

States and conformations

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