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	hartrees
Energy at 0K	-626.572592
Energy at 298.15K
HF Energy	-626.117876
Nuclear repulsion energy	254.477537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3079	0.64
2	A₁	3169	2964	2.22
3	A₁	1543	1443	7.43
4	A₁	1469	1374	2.53
5	A₁	1135	1062	37.70
6	A₁	807	755	29.67
7	A₁	630	589	0.25
8	A₁	360	336	33.40
9	A₁	233	218	5.01
10	A₂	3291	3078	0.00
11	A₂	1545	1445	0.00
12	A₂	1044	977	0.00
13	A₂	226	211	0.00
14	A₂	159	149	0.00
15	B₁	3293	3080	0.00
16	B₁	1555	1455	35.46
17	B₁	1133	1060	33.23
18	B₁	927	867	11.84
19	B₁	285	267	1.25
20	B₁	179	168	0.74
21	B₂	3291	3078	2.68
22	B₂	3165	2960	0.00
23	B₂	1533	1434	13.87
24	B₂	1446	1352	0.52
25	B₂	1042	975	15.77
26	B₂	741	693	18.43
27	B₂	324	303	55.21

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.165
O2	-1.433	0.000	0.978
O3	1.433	0.000	0.978
C4	0.000	1.477	-0.956
C5	0.000	-1.477	-0.956
H6	0.000	2.345	-0.300
H7	0.000	-2.345	-0.300
H8	0.905	1.443	-1.557
H9	-0.905	1.443	-1.557
H10	-0.905	-1.443	-1.557
H11	0.905	-1.443	-1.557

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6473	1.6473	1.8544	1.8544	2.3904	2.3904	2.4223	2.4223	2.4223	2.4223
O2	1.6473		2.8655	2.8239	2.8239	3.0304	3.0304	3.7383	2.9643	2.9643	3.7383
O3	1.6473	2.8655		2.8239	2.8239	3.0304	3.0304	2.9643	3.7383	3.7383	2.9643
C4	1.8544	2.8239	2.8239		2.9545	1.0875	3.8778	1.0872	1.0872	3.1160	3.1160
C5	1.8544	2.8239	2.8239	2.9545		3.8778	1.0875	3.1160	3.1160	1.0872	1.0872
H6	2.3904	3.0304	3.0304	1.0875	3.8778		4.6894	1.7924	1.7924	4.0923	4.0923
H7	2.3904	3.0304	3.0304	3.8778	1.0875	4.6894		4.0923	4.0923	1.7924	1.7924
H8	2.4223	3.7383	2.9643	1.0872	3.1160	1.7924	4.0923		1.8105	3.4071	2.8862
H9	2.4223	2.9643	3.7383	1.0872	3.1160	1.7924	4.0923	1.8105		2.8862	3.4071
H10	2.4223	2.9643	3.7383	3.1160	1.0872	4.0923	1.7924	3.4071	2.8862		1.8105
H11	2.4223	3.7383	2.9643	3.1160	1.0872	4.0923	1.7924	2.8862	3.4071	1.8105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.716	S1	C4	H8	108.015
S1	C4	H9	108.015	S1	C5	H7	105.716
S1	C5	H10	108.015	S1	C5	H11	108.015
O2	S1	O3	120.860	O2	S1	C4	107.355
O2	S1	C5	107.355	O3	S1	C4	107.355
O3	S1	C5	107.355	C4	S1	C5	105.619
H6	C4	H8	111.011	H6	C4	H9	111.011
H7	C5	H10	111.011	H7	C5	H11	111.011
H8	C4	H9	112.734	H10	C5	H11	112.734

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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