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	hartrees
Energy at 0K	-626.401883
Energy at 298.15K
HF Energy	-626.401883
Nuclear repulsion energy	276.176107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3322	2999	1.55
2	A₁	3221	2907	2.57
3	A₁	1585	1431	2.87
4	A₁	1518	1370	20.22
5	A₁	1252	1130	217.87
6	A₁	1118	1009	0.30
7	A₁	767	692	7.70
8	A₁	538	486	43.41
9	A₁	295	266	2.65
10	A₂	3325	3001	0.00
11	A₂	1575	1421	0.00
12	A₂	1049	947	0.00
13	A₂	323	291	0.00
14	A₂	205	185	0.00
15	B₁	3330	3005	5.50
16	B₁	1591	1436	10.87
17	B₁	1448	1307	300.43
18	B₁	1111	1003	0.28
19	B₁	394	356	1.56
20	B₁	235	212	0.55
21	B₂	3321	2997	0.16
22	B₂	3218	2904	0.23
23	B₂	1576	1423	5.60
24	B₂	1499	1353	14.16
25	B₂	1059	956	83.80
26	B₂	846	763	39.97
27	B₂	500	452	63.44

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.185
O2	-1.245	0.000	0.903
O3	1.245	0.000	0.903
C4	0.000	1.401	-0.902
C5	0.000	-1.401	-0.902
H6	0.000	2.277	-0.267
H7	0.000	-2.277	-0.267
H8	0.893	1.390	-1.511
H9	-0.893	1.390	-1.511
H10	-0.893	-1.390	-1.511
H11	0.893	-1.390	-1.511

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4369	1.4369	1.7724	1.7724	2.3218	2.3218	2.3673	2.3673	2.3673	2.3673
O2	1.4369		2.4892	2.6011	2.6011	2.8469	2.8469	3.5109	2.8072	2.8072	3.5109
O3	1.4369	2.4892		2.6011	2.6011	2.8469	2.8469	2.8072	3.5109	3.5109	2.8072
C4	1.7724	2.6011	2.6011		2.8011	1.0821	3.7322	1.0812	1.0812	2.9924	2.9924
C5	1.7724	2.6011	2.6011	2.8011		3.7322	1.0821	2.9924	2.9924	1.0812	1.0812
H6	2.3218	2.8469	2.8469	1.0821	3.7322		4.5547	1.7697	1.7697	3.9738	3.9738
H7	2.3218	2.8469	2.8469	3.7322	1.0821	4.5547		3.9738	3.9738	1.7697	1.7697
H8	2.3673	3.5109	2.8072	1.0812	2.9924	1.7697	3.9738		1.7860	3.3037	2.7794
H9	2.3673	2.8072	3.5109	1.0812	2.9924	1.7697	3.9738	1.7860		2.7794	3.3037
H10	2.3673	2.8072	3.5109	2.9924	1.0812	3.9738	1.7697	3.3037	2.7794		1.7860
H11	2.3673	3.5109	2.8072	2.9924	1.0812	3.9738	1.7697	2.7794	3.3037	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.330	S1	C4	H8	109.725
S1	C4	H9	109.725	S1	C5	H7	106.330
S1	C5	H10	109.725	S1	C5	H11	109.725
O2	S1	O3	120.042	O2	S1	C4	107.832
O2	S1	C5	107.832	O3	S1	C4	107.832
O3	S1	C5	107.832	C4	S1	C5	104.408
H6	C4	H8	109.784	H6	C4	H9	109.784
H7	C5	H10	109.784	H7	C5	H11	109.784
H8	C4	H9	111.365	H10	C5	H11	111.365

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

using model chemistry: HF/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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Number	Element	Mulliken
1	S	1.435
2	O	-0.677
3	O	-0.677
4	C	-0.576
5	C	-0.576
6	H	0.197
7	H	0.197
8	H	0.169
9	H	0.169
10	H	0.169
11	H	0.169

<r²>	126.013
(<r²>)^1/2	11.226

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

using model chemistry: HF/6-31G**

States and conformations

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