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	hartrees
Energy at 0K	-628.308137
Energy at 298.15K
HF Energy	-627.925634
Nuclear repulsion energy	275.345935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3178	0.99
2	A₁	3084	3084	1.75
3	A₁	1477	1477	3.11
4	A₁	1362	1362	20.91
5	A₁	1181	1181	149.13
6	A₁	1015	1015	1.41
7	A₁	687	687	12.10
8	A₁	494	494	23.86
9	A₁	273	273	2.34
10	A₂	3183	3183	0.00
11	A₂	1464	1464	0.00
12	A₂	940	940	0.00
13	A₂	300	300	0.00
14	A₂	184	184	0.00
15	B₁	3187	3187	2.51
16	B₁	1481	1481	4.57
17	B₁	1377	1377	220.11
18	B₁	999	999	0.86
19	B₁	362	362	0.48
20	B₁	217	217	0.45
21	B₂	3177	3177	0.47
22	B₂	3081	3081	0.03
23	B₂	1467	1467	5.62
24	B₂	1347	1347	16.05
25	B₂	949	949	72.67
26	B₂	749	749	43.40
27	B₂	460	460	34.29

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
O2	-1.251	0.000	0.906
O3	1.251	0.000	0.906
C4	0.000	1.397	-0.911
C5	0.000	-1.397	-0.911
H6	0.000	2.275	-0.272
H7	0.000	-2.275	-0.272
H8	0.898	1.379	-1.520
H9	-0.898	1.379	-1.520
H10	-0.898	-1.379	-1.520
H11	0.898	-1.379	-1.520

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4411	1.4411	1.7793	1.7793	2.3214	2.3214	2.3737	2.3737	2.3737	2.3737
O2	1.4411		2.5021	2.6114	2.6114	2.8509	2.8509	3.5221	2.8129	2.8129	3.5221
O3	1.4411	2.5021		2.6114	2.6114	2.8509	2.8509	2.8129	3.5221	3.5221	2.8129
C4	1.7793	2.6114	2.6114		2.7944	1.0859	3.7273	1.0849	1.0849	2.9808	2.9808
C5	1.7793	2.6114	2.6114	2.7944		3.7273	1.0859	2.9808	2.9808	1.0849	1.0849
H6	2.3214	2.8509	2.8509	1.0859	3.7273		4.5498	1.7794	1.7794	3.9644	3.9644
H7	2.3214	2.8509	2.8509	3.7273	1.0859	4.5498		3.9644	3.9644	1.7794	1.7794
H8	2.3737	3.5221	2.8129	1.0849	2.9808	1.7794	3.9644		1.7956	3.2914	2.7584
H9	2.3737	2.8129	3.5221	1.0849	2.9808	1.7794	3.9644	1.7956		2.7584	3.2914
H10	2.3737	2.8129	3.5221	2.9808	1.0849	3.9644	1.7794	3.2914	2.7584		1.7956
H11	2.3737	3.5221	2.8129	2.9808	1.0849	3.9644	1.7794	2.7584	3.2914	1.7956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.670	S1	C4	H8	109.541
S1	C4	H9	109.541	S1	C5	H7	105.670
S1	C5	H10	109.541	S1	C5	H11	109.541
O2	S1	O3	120.475	O2	S1	C4	107.902
O2	S1	C5	107.902	O3	S1	C4	107.902
O3	S1	C5	107.902	C4	S1	C5	103.482
H6	C4	H8	110.107	H6	C4	H9	110.107
H7	C5	H10	110.107	H7	C5	H11	110.107
H8	C4	H9	111.695	H10	C5	H11	111.695

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

using model chemistry: B2PLYP=FULLultrafine/cc-pV(T+d)Z

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

using model chemistry: B2PLYP=FULLultrafine/cc-pV(T+d)Z

States and conformations

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