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	hartrees
Energy at 0K	-627.688371
Energy at 298.15K	-627.681239
HF Energy	-626.391730
Nuclear repulsion energy	276.106055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3341	3148	1.76
2	A₁	3244	3056	2.83
3	A₁	1602	1509	2.65
4	A₁	1533	1445	18.23
5	A₁	1254	1182	218.97
6	A₁	1125	1060	0.82
7	A₁	768	723	7.81
8	A₁	538	507	43.43
9	A₁	294	277	2.52
10	A₂	3343	3150	0.00
11	A₂	1591	1499	0.00
12	A₂	1059	997	0.00
13	A₂	322	303	0.00
14	A₂	206	194	0.00
15	B₁	3348	3155	5.83
16	B₁	1607	1514	11.89
17	B₁	1450	1366	300.64
18	B₁	1120	1055	0.15
19	B₁	394	371	1.74
20	B₁	235	222	0.53
21	B₂	3339	3146	0.19
22	B₂	3240	3053	0.45
23	B₂	1593	1501	5.84
24	B₂	1515	1427	12.34
25	B₂	1067	1005	81.51
26	B₂	848	799	41.63
27	B₂	500	471	63.35

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	106.457	S1	C4	H8	109.789
S1	C4	H9	109.789	S1	C5	H7	106.457
S1	C5	H10	109.789	S1	C5	H11	109.789
O2	S1	O3	120.084	O2	S1	C4	107.842
O2	S1	C5	107.842	O3	S1	C4	107.842
O3	S1	C5	107.842	C4	S1	C5	104.304
H6	C4	H8	109.716	H6	C4	H9	109.716
H7	C5	H10	109.716	H7	C5	H11	109.716
H8	C4	H9	111.256	H10	C5	H11	111.256

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

using model chemistry: G3MP2

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: G3MP2

States and conformations

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