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	hartrees
Energy at 0K	-627.411345
Energy at 298.15K
HF Energy	-626.487117
Nuclear repulsion energy	270.395366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3188	3068
2	A₁	3076	2961
3	A₁	1472	1417
4	A₁	1381	1330
5	A₁	1118	1076
6	A₁	1015	977
7	A₁	669	644
8	A₁	455	438
9	A₁	263	254
10	A₂	3187	3068
11	A₂	1458	1404
12	A₂	955	919
13	A₂	294	283
14	A₂	165	159
15	B₁	3191	3071
16	B₁	1476	1421
17	B₁	1298	1249
18	B₁	1003	966
19	B₁	354	340
20	B₁	205	197
21	B₂	3186	3067
22	B₂	3074	2958
23	B₂	1462	1407
24	B₂	1361	1310
25	B₂	957	921
26	B₂	741	713
27	B₂	442	425

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	-1.283	0.000	0.924
O3	1.283	0.000	0.924
C4	0.000	1.418	-0.928
C5	0.000	-1.418	-0.928
H6	0.000	2.300	-0.287
H7	0.000	-2.300	-0.287
H8	0.903	1.389	-1.537
H9	-0.903	1.389	-1.537
H10	-0.903	-1.389	-1.537
H11	0.903	-1.389	-1.537

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4768	1.4768	1.8072	1.8072	2.3496	2.3496	2.3954	2.3954	2.3954	2.3954
O2	1.4768		2.5666	2.6618	2.6618	2.8988	2.8988	3.5729	2.8513	2.8513	3.5729
O3	1.4768	2.5666		2.6618	2.6618	2.8988	2.8988	2.8513	3.5729	3.5729	2.8513
C4	1.8072	2.6618	2.6618		2.8352	1.0904	3.7724	1.0899	1.0899	3.0104	3.0104
C5	1.8072	2.6618	2.6618	2.8352		3.7724	1.0904	3.0104	3.0104	1.0899	1.0899
H6	2.3496	2.8988	2.8988	1.0904	3.7724		4.5999	1.7912	1.7912	3.9981	3.9981
H7	2.3496	2.8988	2.8988	3.7724	1.0904	4.5999		3.9981	3.9981	1.7912	1.7912
H8	2.3954	3.5729	2.8513	1.0899	3.0104	1.7912	3.9981		1.8063	3.3132	2.7775
H9	2.3954	2.8513	3.5729	1.0899	3.0104	1.7912	3.9981	1.8063		2.7775	3.3132
H10	2.3954	2.8513	3.5729	3.0104	1.0899	3.9981	1.7912	3.3132	2.7775		1.8063
H11	2.3954	3.5729	2.8513	3.0104	1.0899	3.9981	1.7912	2.7775	3.3132	1.8063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.686	S1	C4	H8	109.026
S1	C4	H9	109.026	S1	C5	H7	105.686
S1	C5	H10	109.026	S1	C5	H11	109.026
O2	S1	O3	120.684	O2	S1	C4	107.873
O2	S1	C5	107.873	O3	S1	C4	107.873
O3	S1	C5	107.873	C4	S1	C5	103.334
H6	C4	H8	110.482	H6	C4	H9	110.482
H7	C5	H10	110.482	H7	C5	H11	110.482
H8	C4	H9	111.925	H10	C5	H11	111.925

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

using model chemistry: CCSD(T)/TZVP

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: CCSD(T)/TZVP

States and conformations

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