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	hartrees
Energy at 0K	-626.252184
Energy at 298.15K
HF Energy	-626.252184
Nuclear repulsion energy	275.431087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3116	3066	0.15
2	A₁	3000	2952	0.12
3	A₁	1377	1355	1.50
4	A₁	1263	1243	50.90
5	A₁	1172	1153	102.59
6	A₁	955	940	7.98
7	A₁	686	675	9.30
8	A₁	473	466	19.18
9	A₁	261	257	2.98
10	A₂	3119	3069	0.00
11	A₂	1360	1338	0.00
12	A₂	864	850	0.00
13	A₂	275	271	0.00
14	A₂	169	166	0.00
15	B₁	3122	3072	0.00
16	B₁	1400	1377	55.05
17	B₁	1368	1346	135.65
18	B₁	928	914	4.54
19	B₁	337	332	0.00
20	B₁	205	202	0.52
21	B₂	3115	3065	3.42
22	B₂	2998	2950	2.50
23	B₂	1364	1342	7.71
24	B₂	1243	1223	30.47
25	B₂	893	879	90.44
26	B₂	727	716	23.33
27	B₂	437	430	24.81

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.255	0.000	0.905
O3	1.255	0.000	0.905
C4	0.000	1.383	-0.910
C5	0.000	-1.383	-0.910
H6	0.000	2.274	-0.263
H7	0.000	-2.274	-0.263
H8	0.910	1.366	-1.527
H9	-0.910	1.366	-1.527
H10	-0.910	-1.366	-1.527
H11	0.910	-1.366	-1.527

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4436	1.4436	1.7685	1.7685	2.3191	2.3191	2.3769	2.3769	2.3769	2.3769
O2	1.4436		2.5095	2.6046	2.6046	2.8481	2.8481	3.5314	2.8114	2.8114	3.5314
O3	1.4436	2.5095		2.6046	2.6046	2.8481	2.8481	2.8114	3.5314	3.5314	2.8114
C4	1.7685	2.6046	2.6046		2.7669	1.1007	3.7143	1.0996	1.0996	2.9615	2.9615
C5	1.7685	2.6046	2.6046	2.7669		3.7143	1.1007	2.9615	2.9615	1.0996	1.0996
H6	2.3191	2.8481	2.8481	1.1007	3.7143		4.5481	1.8026	1.8026	3.9596	3.9596
H7	2.3191	2.8481	2.8481	3.7143	1.1007	4.5481		3.9596	3.9596	1.8026	1.8026
H8	2.3769	3.5314	2.8114	1.0996	2.9615	1.8026	3.9596		1.8196	3.2832	2.7328
H9	2.3769	2.8114	3.5314	1.0996	2.9615	1.8026	3.9596	1.8196		2.7328	3.2832
H10	2.3769	2.8114	3.5314	2.9615	1.0996	3.9596	1.8026	3.2832	2.7328		1.8196
H11	2.3769	3.5314	2.8114	2.9615	1.0996	3.9596	1.8026	2.7328	3.2832	1.8196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.482	S1	C4	H8	109.729
S1	C4	H9	109.729	S1	C5	H7	105.482
S1	C5	H10	109.729	S1	C5	H11	109.729
O2	S1	O3	120.734	O2	S1	C4	107.939
O2	S1	C5	107.939	O3	S1	C4	107.939
O3	S1	C5	107.939	C4	S1	C5	102.939
H6	C4	H8	110.025	H6	C4	H9	110.025
H7	C5	H10	110.025	H7	C5	H11	110.025
H8	C4	H9	111.666	H10	C5	H11	111.666

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	S	0.307
2	O	-0.220
3	O	-0.220
4	C	-0.535
5	C	-0.535
6	H	0.217
7	H	0.217
8	H	0.192
9	H	0.192
10	H	0.192
11	H	0.192

<r²>	125.299
(<r²>)^1/2	11.194

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

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

States and conformations

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