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	hartrees
Energy at 0K	-627.182273
Energy at 298.15K	-627.190361
HF Energy	-626.388806
Nuclear repulsion energy	272.602141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3245	3057	0.05
2	A₁	3132	2951	0.78
3	A₁	1521	1433	3.41
4	A₁	1428	1345	19.19
5	A₁	1185	1117	167.06
6	A₁	1058	997	0.08
7	A₁	718	676	11.64
8	A₁	491	463	26.48
9	A₁	279	263	2.43
10	A₂	3250	3062	0.00
11	A₂	1508	1421	0.00
12	A₂	987	930	0.00
13	A₂	294	277	0.00
14	A₂	199	188	0.00
15	B₁	3254	3066	0.90
16	B₁	1525	1437	13.24
17	B₁	1381	1301	229.23
18	B₁	1046	986	1.20
19	B₁	369	348	1.15
20	B₁	232	218	0.51
21	B₂	3244	3056	1.19
22	B₂	3130	2949	0.53
23	B₂	1512	1424	8.34
24	B₂	1411	1329	21.65
25	B₂	1000	942	68.08
26	B₂	792	746	48.62
27	B₂	457	430	38.24

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.059
O2	-1.353	0.000	0.968
O3	1.353	0.000	0.968
C4	0.000	1.285	-0.846
C5	0.000	-1.285	-0.846
H6	0.000	2.129	-0.240
H7	0.000	-2.129	-0.240
H8	0.853	1.292	-1.453
H9	-0.853	1.292	-1.453
H10	-0.853	-1.292	-1.453
H11	0.853	-1.292	-1.453

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6302	1.6302	1.5721	1.5721	2.1503	2.1503	2.1639	2.1639	2.1639	2.1639
O2	1.6302		2.7064	2.6031	2.6031	2.7975	2.7975	3.5211	2.7892	2.7892	3.5211
O3	1.6302	2.7064		2.6031	2.6031	2.7975	2.7975	2.7892	3.5211	3.5211	2.7892
C4	1.5721	2.6031	2.6031		2.5699	1.0394	3.4676	1.0467	1.0467	2.7810	2.7810
C5	1.5721	2.6031	2.6031	2.5699		3.4676	1.0394	2.7810	2.7810	1.0467	1.0467
H6	2.1503	2.7975	2.7975	1.0394	3.4676		4.2586	1.7028	1.7028	3.7283	3.7283
H7	2.1503	2.7975	2.7975	3.4676	1.0394	4.2586		3.7283	3.7283	1.7028	1.7028
H8	2.1639	3.5211	2.7892	1.0467	2.7810	1.7028	3.7283		1.7066	3.0960	2.5832
H9	2.1639	2.7892	3.5211	1.0467	2.7810	1.7028	3.7283	1.7066		2.5832	3.0960
H10	2.1639	2.7892	3.5211	2.7810	1.0467	3.7283	1.7028	3.0960	2.5832		1.7066
H11	2.1639	3.5211	2.7892	2.7810	1.0467	3.7283	1.7028	2.5832	3.0960	1.7066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	109.142	S1	C4	H8	109.808
S1	C4	H9	109.808	S1	C5	H7	109.142
S1	C5	H10	109.808	S1	C5	H11	109.808
O2	S1	O3	112.218	O2	S1	C4	108.741
O2	S1	C5	108.741	O3	S1	C4	108.741
O3	S1	C5	108.741	C4	S1	C5	109.633
H6	C4	H8	109.425	H6	C4	H9	109.425
H7	C5	H10	109.425	H7	C5	H11	109.425
H8	C4	H9	109.219	H10	C5	H11	109.219

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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