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	hartrees
Energy at 0K	-625.206332
Energy at 298.15K
HF Energy	-625.206332
Nuclear repulsion energy	267.565346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3081	3061	3.94
2	A₁	2997	2978	2.83
3	A₁	1492	1483	2.71
4	A₁	1375	1366	11.71
5	A₁	1105	1098	135.79
6	A₁	998	991	0.77
7	A₁	606	602	19.38
8	A₁	456	453	13.95
9	A₁	270	269	2.15
10	A₂	3083	3063	0.00
11	A₂	1479	1470	0.00
12	A₂	936	930	0.00
13	A₂	256	255	0.00
14	A₂	187	185	0.00
15	B₁	3089	3068	9.44
16	B₁	1495	1485	16.03
17	B₁	1307	1299	140.76
18	B₁	989	982	2.74
19	B₁	336	334	0.51
20	B₁	212	211	0.49
21	B₂	3079	3059	0.12
22	B₂	2994	2975	0.54
23	B₂	1482	1472	12.05
24	B₂	1360	1351	14.29
25	B₂	944	938	49.35
26	B₂	679	675	81.62
27	B₂	398	396	19.63

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.209
O2	-1.294	0.000	0.943
O3	1.294	0.000	0.943
C4	0.000	1.414	-0.954
C5	0.000	-1.414	-0.954
H6	0.000	2.327	-0.339
H7	0.000	-2.327	-0.339
H8	0.906	1.391	-1.577
H9	-0.906	1.391	-1.577
H10	-0.906	-1.391	-1.577
H11	0.906	-1.391	-1.577

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4877	1.4877	1.8310	1.8310	2.3905	2.3905	2.4382	2.4382	2.4382	2.4382
O2	1.4877		2.5877	2.6970	2.6970	2.9550	2.9550	3.6228	2.9047	2.9047	3.6228
O3	1.4877	2.5877		2.6970	2.6970	2.9550	2.9550	2.9047	3.6228	3.6228	2.9047
C4	1.8310	2.6970	2.6970		2.8285	1.1006	3.7914	1.0995	1.0995	3.0129	3.0129
C5	1.8310	2.6970	2.6970	2.8285		3.7914	1.1006	3.0129	3.0129	1.0995	1.0995
H6	2.3905	2.9550	2.9550	1.1006	3.7914		4.6538	1.7970	1.7970	4.0219	4.0219
H7	2.3905	2.9550	2.9550	3.7914	1.1006	4.6538		4.0219	4.0219	1.7970	1.7970
H8	2.4382	3.6228	2.9047	1.0995	3.0129	1.7970	4.0219		1.8113	3.3196	2.7819
H9	2.4382	2.9047	3.6228	1.0995	3.0129	1.7970	4.0219	1.8113		2.7819	3.3196
H10	2.4382	2.9047	3.6228	3.0129	1.0995	4.0219	1.7970	3.3196	2.7819		1.8113
H11	2.4382	3.6228	2.9047	3.0129	1.0995	4.0219	1.7970	2.7819	3.3196	1.8113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.590	S1	C4	H8	110.094
S1	C4	H9	110.094	S1	C5	H7	106.590
S1	C5	H10	110.094	S1	C5	H11	110.094
O2	S1	O3	120.845	O2	S1	C4	108.270
O2	S1	C5	108.270	O3	S1	C4	108.270
O3	S1	C5	108.270	C4	S1	C5	101.142
H6	C4	H8	109.530	H6	C4	H9	109.530
H7	C5	H10	109.530	H7	C5	H11	109.530
H8	C4	H9	110.905	H10	C5	H11	110.905

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

using model chemistry: BLYP/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	1.082
2	O	-0.427
3	O	-0.427
4	C	-0.783
5	C	-0.783
6	H	0.239
7	H	0.239
8	H	0.215
9	H	0.215
10	H	0.215
11	H	0.215

<r²>	132.119
(<r²>)^1/2	11.494

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

using model chemistry: BLYP/3-21G*

States and conformations

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