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	hartrees
Energy at 0K	-627.251441
Energy at 298.15K
HF Energy	-626.405781
Nuclear repulsion energy	272.429666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3268	3070	0.05
2	A₁	3144	2953	1.83
3	A₁	1506	1415	3.98
4	A₁	1410	1325	11.95
5	A₁	1162	1091	179.71
6	A₁	1047	983	0.42
7	A₁	709	666	8.65
8	A₁	476	447	27.72
9	A₁	274	258	2.16
10	A₂	3270	3071	0.00
11	A₂	1494	1403	0.00
12	A₂	976	916	0.00
13	A₂	297	279	0.00
14	A₂	207	194	0.00
15	B₁	3274	3075	0.56
16	B₁	1510	1418	11.18
17	B₁	1337	1256	281.94
18	B₁	1032	970	0.23
19	B₁	362	340	1.93
20	B₁	239	224	0.35
21	B₂	3267	3068	1.10
22	B₂	3142	2951	0.04
23	B₂	1497	1406	6.40
24	B₂	1392	1307	15.00
25	B₂	984	924	54.20
26	B₂	784	736	45.74
27	B₂	453	426	39.55

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.188
O2	-1.281	0.000	0.913
O3	1.281	0.000	0.913
C4	0.000	1.401	-0.913
C5	0.000	-1.401	-0.913
H6	0.000	2.282	-0.277
H7	0.000	-2.282	-0.277
H8	0.899	1.380	-1.523
H9	-0.899	1.380	-1.523
H10	-0.899	-1.380	-1.523
H11	0.899	-1.380	-1.523

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4720	1.4720	1.7823	1.7823	2.3288	2.3288	2.3747	2.3747	2.3747	2.3747
O2	1.4720		2.5622	2.6344	2.6344	2.8747	2.8747	3.5481	2.8254	2.8254	3.5481
O3	1.4720	2.5622		2.6344	2.6344	2.8747	2.8747	2.8254	3.5481	3.5481	2.8254
C4	1.7823	2.6344	2.6344		2.8028	1.0867	3.7380	1.0861	1.0861	2.9861	2.9861
C5	1.7823	2.6344	2.6344	2.8028		3.7380	1.0867	2.9861	2.9861	1.0861	1.0861
H6	2.3288	2.8747	2.8747	1.0867	3.7380		4.5641	1.7814	1.7814	3.9716	3.9716
H7	2.3288	2.8747	2.8747	3.7380	1.0867	4.5641		3.9716	3.9716	1.7814	1.7814
H8	2.3747	3.5481	2.8254	1.0861	2.9861	1.7814	3.9716		1.7975	3.2943	2.7607
H9	2.3747	2.8254	3.5481	1.0861	2.9861	1.7814	3.9716	1.7975		2.7607	3.2943
H10	2.3747	2.8254	3.5481	2.9861	1.0861	3.9716	1.7814	3.2943	2.7607		1.7975
H11	2.3747	3.5481	2.8254	2.9861	1.0861	3.9716	1.7814	2.7607	3.2943	1.7975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.976	S1	C4	H8	109.355
S1	C4	H9	109.355	S1	C5	H7	105.976
S1	C5	H10	109.355	S1	C5	H11	109.355
O2	S1	O3	120.991	O2	S1	C4	107.715
O2	S1	C5	107.715	O3	S1	C4	107.715
O3	S1	C5	107.715	C4	S1	C5	103.681
H6	C4	H8	110.146	H6	C4	H9	110.146
H7	C5	H10	110.146	H7	C5	H11	110.146
H8	C4	H9	111.694	H10	C5	H11	111.694

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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