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	hartrees
Energy at 0K	-628.238483
Energy at 298.15K
HF Energy	-627.902707
Nuclear repulsion energy	273.339859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3053	0.77
2	A₁	3080	2955	1.83
3	A₁	1472	1413	3.15
4	A₁	1356	1301	17.00
5	A₁	1155	1108	148.58
6	A₁	1013	971	0.38
7	A₁	675	648	12.02
8	A₁	480	460	23.77
9	A₁	266	256	2.31
10	A₂	3187	3058	0.00
11	A₂	1461	1402	0.00
12	A₂	938	900	0.00
13	A₂	291	279	0.00
14	A₂	174	167	0.00
15	B₁	3191	3062	2.11
16	B₁	1478	1418	6.98
17	B₁	1342	1288	212.88
18	B₁	995	954	0.54
19	B₁	352	338	0.54
20	B₁	209	200	0.44
21	B₂	3180	3051	0.53
22	B₂	3078	2953	0.02
23	B₂	1462	1403	5.91
24	B₂	1340	1286	12.59
25	B₂	948	909	65.61
26	B₂	740	710	45.14
27	B₂	448	430	35.20

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.190
O2	-1.263	0.000	0.914
O3	1.263	0.000	0.914
C4	0.000	1.407	-0.918
C5	0.000	-1.407	-0.918
H6	0.000	2.283	-0.274
H7	0.000	-2.283	-0.274
H8	0.900	1.387	-1.525
H9	-0.900	1.387	-1.525
H10	-0.900	-1.387	-1.525
H11	0.900	-1.387	-1.525

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4558	1.4558	1.7906	1.7906	2.3294	2.3294	2.3816	2.3816	2.3816	2.3816
O2	1.4558		2.5260	2.6323	2.6323	2.8665	2.8665	3.5421	2.8287	2.8287	3.5421
O3	1.4558	2.5260		2.6323	2.6323	2.8665	2.8665	2.8287	3.5421	3.5421	2.8287
C4	1.7906	2.6323	2.6323		2.8140	1.0867	3.7454	1.0856	1.0856	2.9970	2.9970
C5	1.7906	2.6323	2.6323	2.8140		3.7454	1.0867	2.9970	2.9970	1.0856	1.0856
H6	2.3294	2.8665	2.8665	1.0867	3.7454		4.5654	1.7823	1.7823	3.9796	3.9796
H7	2.3294	2.8665	2.8665	3.7454	1.0867	4.5654		3.9796	3.9796	1.7823	1.7823
H8	2.3816	3.5421	2.8287	1.0856	2.9970	1.7823	3.9796		1.7993	3.3057	2.7731
H9	2.3816	2.8287	3.5421	1.0856	2.9970	1.7823	3.9796	1.7993		2.7731	3.3057
H10	2.3816	2.8287	3.5421	2.9970	1.0856	3.9796	1.7823	3.3057	2.7731		1.7993
H11	2.3816	3.5421	2.8287	2.9970	1.0856	3.9796	1.7823	2.7731	3.3057	1.7993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.480	S1	C4	H8	109.338
S1	C4	H9	109.338	S1	C5	H7	105.480
S1	C5	H10	109.338	S1	C5	H11	109.338
O2	S1	O3	120.359	O2	S1	C4	107.913
O2	S1	C5	107.913	O3	S1	C4	107.913
O3	S1	C5	107.913	C4	S1	C5	103.584
H6	C4	H8	110.268	H6	C4	H9	110.268
H7	C5	H10	110.268	H7	C5	H11	110.268
H8	C4	H9	111.938	H10	C5	H11	111.938

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

using model chemistry: B2PLYP/cc-pVTZ

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	0.905
2	O	-0.516
3	O	-0.516
4	C	-0.308
5	C	-0.308
6	H	0.136
7	H	0.136
8	H	0.118
9	H	0.118
10	H	0.118
11	H	0.118

<r²>	127.768
(<r²>)^1/2	11.303

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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