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	hartrees
Energy at 0K	-627.410373
Energy at 298.15K
HF Energy	-626.454082
Nuclear repulsion energy	275.184753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3238	3058	0.00
2	A₁	3121	2948	0.34
3	A₁	1481	1399	1.65
4	A₁	1370	1294	25.39
5	A₁	1199	1133	134.82
6	A₁	1018	962	3.67
7	A₁	715	676	10.17
8	A₁	495	467	22.81
9	A₁	275	260	2.35
10	A₂	3247	3066	0.00
11	A₂	1469	1387	0.00
12	A₂	938	886	0.00
13	A₂	292	276	0.00
14	A₂	181	171	0.00
15	B₁	3250	3070	0.18
16	B₁	1489	1406	2.29
17	B₁	1406	1328	206.12
18	B₁	999	944	2.63
19	B₁	358	338	0.31
20	B₁	218	206	0.43
21	B₂	3236	3057	1.60
22	B₂	3119	2946	1.03
23	B₂	1471	1389	5.65
24	B₂	1355	1279	18.41
25	B₂	952	899	77.52
26	B₂	770	727	32.59
27	B₂	458	432	31.68

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.194
O2	-1.257	0.000	0.906
O3	1.257	0.000	0.906
C4	0.000	1.388	-0.913
C5	0.000	-1.388	-0.913
H6	0.000	2.274	-0.278
H7	0.000	-2.274	-0.278
H8	0.901	1.368	-1.524
H9	-0.901	1.368	-1.524
H10	-0.901	-1.368	-1.524
H11	0.901	-1.368	-1.524

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4447	1.4447	1.7755	1.7755	2.3226	2.3226	2.3737	2.3737	2.3737	2.3737
O2	1.4447		2.5138	2.6109	2.6109	2.8557	2.8557	3.5261	2.8115	2.8115	3.5261
O3	1.4447	2.5138		2.6109	2.6109	2.8557	2.8557	2.8115	3.5261	3.5261	2.8115
C4	1.7755	2.6109	2.6109		2.7756	1.0901	3.7164	1.0885	1.0885	2.9628	2.9628
C5	1.7755	2.6109	2.6109	2.7756		3.7164	1.0901	2.9628	2.9628	1.0885	1.0885
H6	2.3226	2.8557	2.8557	1.0901	3.7164		4.5480	1.7842	1.7842	3.9530	3.9530
H7	2.3226	2.8557	2.8557	3.7164	1.0901	4.5480		3.9530	3.9530	1.7842	1.7842
H8	2.3737	3.5261	2.8115	1.0885	2.9628	1.7842	3.9530		1.8017	3.2758	2.7359
H9	2.3737	2.8115	3.5261	1.0885	2.9628	1.7842	3.9530	1.8017		2.7359	3.2758
H10	2.3737	2.8115	3.5261	2.9628	1.0885	3.9530	1.7842	3.2758	2.7359		1.8017
H11	2.3737	3.5261	2.8115	2.9628	1.0885	3.9530	1.7842	2.7359	3.2758	1.8017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.799	S1	C4	H8	109.613
S1	C4	H9	109.613	S1	C5	H7	105.799
S1	C5	H10	109.613	S1	C5	H11	109.613
O2	S1	O3	120.924	O2	S1	C4	107.909
O2	S1	C5	107.909	O3	S1	C4	107.909
O3	S1	C5	107.909	C4	S1	C5	102.822
H6	C4	H8	109.967	H6	C4	H9	109.967
H7	C5	H10	109.967	H7	C5	H11	109.967
H8	C4	H9	111.710	H10	C5	H11	111.710

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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