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	hartrees
Energy at 0K	-626.676098
Energy at 298.15K
HF Energy	-626.115179
Nuclear repulsion energy	250.498059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3195	3078	0.00
2	A₁	3068	2956	3.31
3	A₁	1499	1445	5.53
4	A₁	1402	1351	1.35
5	A₁	1079	1040	31.90
6	A₁	766	739	29.82
7	A₁	564	544	4.44
8	A₁	340	328	23.04
9	A₁	216	209	3.80
10	A₂	3189	3073	0.00
11	A₂	1500	1445	0.00
12	A₂	989	953	0.00
13	A₂	205	198	0.00
14	A₂	141	136	0.00
15	B₁	3191	3075	0.77
16	B₁	1510	1455	27.08
17	B₁	1079	1039	30.65
18	B₁	871	839	14.85
19	B₁	267	257	1.44
20	B₁	162	156	0.56
21	B₂	3194	3077	0.75
22	B₂	3067	2955	0.29
23	B₂	1491	1437	12.10
24	B₂	1378	1328	0.02
25	B₂	992	956	10.07
26	B₂	658	634	27.73
27	B₂	298	287	38.98

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.177
O2	-1.459	0.000	0.994
O3	1.459	0.000	0.994
C4	0.000	1.496	-0.980
C5	0.000	-1.496	-0.980
H6	0.000	2.373	-0.324
H7	0.000	-2.373	-0.324
H8	0.913	1.447	-1.584
H9	-0.913	1.447	-1.584
H10	-0.913	-1.447	-1.584
H11	0.913	-1.447	-1.584

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6721	1.6721	1.8919	1.8919	2.4256	2.4256	2.4555	2.4555	2.4555	2.4555
O2	1.6721		2.9176	2.8752	2.8752	3.0819	3.0819	3.7905	3.0063	3.0063	3.7905
O3	1.6721	2.9176		2.8752	2.8752	3.0819	3.0819	3.0063	3.7905	3.7905	3.0063
C4	1.8919	2.8752	2.8752		2.9927	1.0956	3.9250	1.0958	1.0958	3.1404	3.1404
C5	1.8919	2.8752	2.8752	2.9927		3.9250	1.0956	3.1404	3.1404	1.0958	1.0958
H6	2.4256	3.0819	3.0819	1.0956	3.9250		4.7467	1.8110	1.8110	4.1252	4.1252
H7	2.4256	3.0819	3.0819	3.9250	1.0956	4.7467		4.1252	4.1252	1.8110	1.8110
H8	2.4555	3.7905	3.0063	1.0958	3.1404	1.8110	4.1252		1.8269	3.4225	2.8941
H9	2.4555	3.0063	3.7905	1.0958	3.1404	1.8110	4.1252	1.8269		2.8941	3.4225
H10	2.4555	3.0063	3.7905	3.1404	1.0958	4.1252	1.8110	3.4225	2.8941		1.8269
H11	2.4555	3.7905	3.0063	3.1404	1.0958	4.1252	1.8110	2.8941	3.4225	1.8269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.450	S1	C4	H8	107.537
S1	C4	H9	107.537	S1	C5	H7	105.450
S1	C5	H10	107.537	S1	C5	H11	107.537
O2	S1	O3	121.490	O2	S1	C4	107.400
O2	S1	C5	107.400	O3	S1	C4	107.400
O3	S1	C5	107.400	C4	S1	C5	104.544
H6	C4	H8	111.466	H6	C4	H9	111.466
H7	C5	H10	111.466	H7	C5	H11	111.466
H8	C4	H9	112.939	H10	C5	H11	112.939

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

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

States and conformations

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