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	hartrees
Energy at 0K	-623.485656
Energy at 298.15K
HF Energy	-623.031837
Nuclear repulsion energy	259.139371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3280	3056	0.37
2	A₁	3176	2959	0.79
3	A₁	1561	1454	5.24
4	A₁	1477	1376	9.09
5	A₁	1123	1046	50.14
6	A₁	902	841	36.39
7	A₁	630	586	8.64
8	A₁	421	392	28.37
9	A₁	262	244	2.66
10	A₂	3283	3059	0.00
11	A₂	1562	1455	0.00
12	A₂	1017	947	0.00
13	A₂	221	206	0.00
14	A₂	151	140	0.00
15	B₁	3287	3062	0.00
16	B₁	1577	1469	35.49
17	B₁	1177	1097	58.45
18	B₁	1016	946	0.57
19	B₁	297	277	2.88
20	B₁	180	168	0.68
21	B₂	3279	3055	1.45
22	B₂	3172	2955	0.15
23	B₂	1550	1444	14.96
24	B₂	1453	1353	4.66
25	B₂	1024	954	23.79
26	B₂	714	665	49.51
27	B₂	339	316	46.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.188
O2	-1.369	0.000	0.991
O3	1.369	0.000	0.991
C4	0.000	1.432	-0.982
C5	0.000	-1.432	-0.982
H6	0.000	2.333	-0.375
H7	0.000	-2.333	-0.375
H8	0.902	1.376	-1.584
H9	-0.902	1.376	-1.584
H10	-0.902	-1.376	-1.584
H11	0.902	-1.376	-1.584

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.5874	1.5874	1.8493	1.8493	2.3998	2.3998	2.4179	2.4179	2.4179	2.4179
O2	1.5874		2.7379	2.7964	2.7964	3.0303	3.0303	3.6990	2.9572	2.9572	3.6990
O3	1.5874	2.7379		2.7964	2.7964	3.0303	3.0303	2.9572	3.6990	3.6990	2.9572
C4	1.8493	2.7964	2.7964		2.8644	1.0863	3.8138	1.0857	1.0857	3.0101	3.0101
C5	1.8493	2.7964	2.7964	2.8644		3.8138	1.0863	3.0101	3.0101	1.0857	1.0857
H6	2.3998	3.0303	3.0303	1.0863	3.8138		4.6658	1.7866	1.7866	4.0038	4.0038
H7	2.3998	3.0303	3.0303	3.8138	1.0863	4.6658		4.0038	4.0038	1.7866	1.7866
H8	2.4179	3.6990	2.9572	1.0857	3.0101	1.7866	4.0038		1.8033	3.2899	2.7516
H9	2.4179	2.9572	3.6990	1.0857	3.0101	1.7866	4.0038	1.8033		2.7516	3.2899
H10	2.4179	2.9572	3.6990	3.0101	1.0857	4.0038	1.7866	3.2899	2.7516		1.8033
H11	2.4179	3.6990	2.9572	3.0101	1.0857	4.0038	1.7866	2.7516	3.2899	1.8033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.765	S1	C4	H8	108.098
S1	C4	H9	108.098	S1	C5	H7	106.765
S1	C5	H10	108.098	S1	C5	H11	108.098
O2	S1	O3	119.175	O2	S1	C4	108.677
O2	S1	C5	108.677	O3	S1	C4	108.677
O3	S1	C5	108.677	C4	S1	C5	101.516
H6	C4	H8	110.681	H6	C4	H9	110.681
H7	C5	H10	110.681	H7	C5	H11	110.681
H8	C4	H9	112.291	H10	C5	H11	112.291

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

using model chemistry: CID/3-21G

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/3-21G

States and conformations

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