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	hartrees
Energy at 0K	-626.630145
Energy at 298.15K
HF Energy	-626.115632
Nuclear repulsion energy	254.009784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3244	3104	0.41
2	A₁	3109	2975	2.14
3	A₁	1518	1453	6.28
4	A₁	1424	1362	3.80
5	A₁	1095	1048	49.14
6	A₁	871	833	73.14
7	A₁	601	575	8.87
8	A₁	380	364	25.02
9	A₁	225	215	3.17
10	A₂	3242	3102	0.00
11	A₂	1519	1453	0.00
12	A₂	1002	958	0.00
13	A₂	220	211	0.00
14	A₂	160	153	0.00
15	B₁	3244	3104	0.03
16	B₁	1530	1463	30.24
17	B₁	1116	1068	93.28
18	B₁	974	932	41.28
19	B₁	287	275	2.01
20	B₁	181	174	0.64
21	B₂	3243	3103	2.13
22	B₂	3108	2973	0.03
23	B₂	1510	1444	12.86
24	B₂	1400	1339	1.06
25	B₂	1010	966	18.51
26	B₂	693	663	41.81
27	B₂	333	319	46.31

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.177
O2	-1.419	0.000	0.983
O3	1.419	0.000	0.983
C4	0.000	1.490	-0.970
C5	0.000	-1.490	-0.970
H6	0.000	2.362	-0.312
H7	0.000	-2.362	-0.312
H8	0.911	1.444	-1.571
H9	-0.911	1.444	-1.571
H10	-0.911	-1.444	-1.571
H11	0.911	-1.444	-1.571

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6320	1.6320	1.8802	1.8802	2.4124	2.4124	2.4437	2.4437	2.4437	2.4437
O2	1.6320		2.8386	2.8367	2.8367	3.0449	3.0449	3.7468	2.9775	2.9775	3.7468
O3	1.6320	2.8386		2.8367	2.8367	3.0449	3.0449	2.9775	3.7468	3.7468	2.9775
C4	1.8802	2.8367	2.8367		2.9795	1.0927	3.9078	1.0926	1.0926	3.1302	3.1302
C5	1.8802	2.8367	2.8367	2.9795		3.9078	1.0927	3.1302	3.1302	1.0926	1.0926
H6	2.4124	3.0449	3.0449	1.0927	3.9078		4.7245	1.8051	1.8051	4.1112	4.1112
H7	2.4124	3.0449	3.0449	3.9078	1.0927	4.7245		4.1112	4.1112	1.8051	1.8051
H8	2.4437	3.7468	2.9775	1.0926	3.1302	1.8051	4.1112		1.8224	3.4148	2.8879
H9	2.4437	2.9775	3.7468	1.0926	3.1302	1.8051	4.1112	1.8224		2.8879	3.4148
H10	2.4437	2.9775	3.7468	3.1302	1.0926	4.1112	1.8051	3.4148	2.8879		1.8224
H11	2.4437	3.7468	2.9775	3.1302	1.0926	4.1112	1.8051	2.8879	3.4148	1.8224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.390	S1	C4	H8	107.606
S1	C4	H9	107.606	S1	C5	H7	105.390
S1	C5	H10	107.606	S1	C5	H11	107.606
O2	S1	O3	120.841	O2	S1	C4	107.528
O2	S1	C5	107.528	O3	S1	C4	107.528
O3	S1	C5	107.528	C4	S1	C5	104.805
H6	C4	H8	111.388	H6	C4	H9	111.388
H7	C5	H10	111.388	H7	C5	H11	111.388
H8	C4	H9	113.021	H10	C5	H11	113.021

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

using model chemistry: MP2/6-31G

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

using model chemistry: MP2/6-31G

States and conformations

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