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	hartrees
Energy at 0K	-628.436389
Energy at 298.15K
HF Energy	-628.436389
Nuclear repulsion energy	276.230660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3191	3191	0.00
2	A₁	3089	3089	0.80
3	A₁	1466	1466	2.57
4	A₁	1363	1363	30.68
5	A₁	1207	1207	170.97
6	A₁	1020	1020	2.84
7	A₁	714	714	10.35
8	A₁	504	504	27.70
9	A₁	276	276	2.63
10	A₂	3198	3198	0.00
11	A₂	1459	1459	0.00
12	A₂	942	942	0.00
13	A₂	305	305	0.00
14	A₂	228	228	0.00
15	B₁	3202	3202	0.28
16	B₁	1478	1478	1.89
17	B₁	1400	1400	269.91
18	B₁	1002	1002	1.14
19	B₁	367	367	0.50
20	B₁	261	261	0.48
21	B₂	3189	3189	1.40
22	B₂	3087	3087	0.84
23	B₂	1456	1456	5.36
24	B₂	1347	1347	17.81
25	B₂	956	956	82.90
26	B₂	773	773	35.19
27	B₂	470	470	40.37

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.187
O2	-1.245	0.000	0.904
O3	1.245	0.000	0.904
C4	0.000	1.394	-0.907
C5	0.000	-1.394	-0.907
H6	0.000	2.271	-0.262
H7	0.000	-2.271	-0.262
H8	0.900	1.374	-1.515
H9	-0.900	1.374	-1.515
H10	-0.900	-1.374	-1.515
H11	0.900	-1.374	-1.515

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4364	1.4364	1.7718	1.7718	2.3146	2.3146	2.3656	2.3656	2.3656	2.3656
O2	1.4364		2.4894	2.6021	2.6021	2.8399	2.8399	3.5130	2.8033	2.8033	3.5130
O3	1.4364	2.4894		2.6021	2.6021	2.8399	2.8399	2.8033	3.5130	3.5130	2.8033
C4	1.7718	2.6021	2.6021		2.7875	1.0882	3.7205	1.0868	1.0868	2.9734	2.9734
C5	1.7718	2.6021	2.6021	2.7875		3.7205	1.0882	2.9734	2.9734	1.0868	1.0868
H6	2.3146	2.8399	2.8399	1.0882	3.7205		4.5411	1.7844	1.7844	3.9576	3.9576
H7	2.3146	2.8399	2.8399	3.7205	1.0882	4.5411		3.9576	3.9576	1.7844	1.7844
H8	2.3656	3.5130	2.8033	1.0868	2.9734	1.7844	3.9576		1.8008	3.2854	2.7479
H9	2.3656	2.8033	3.5130	1.0868	2.9734	1.7844	3.9576	1.8008		2.7479	3.2854
H10	2.3656	2.8033	3.5130	2.9734	1.0868	3.9576	1.7844	3.2854	2.7479		1.8008
H11	2.3656	3.5130	2.8033	2.9734	1.0868	3.9576	1.7844	2.7479	3.2854	1.8008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.554	S1	C4	H8	109.346
S1	C4	H9	109.346	S1	C5	H7	105.554
S1	C5	H10	109.346	S1	C5	H11	109.346
O2	S1	O3	120.120	O2	S1	C4	107.948
O2	S1	C5	107.948	O3	S1	C4	107.948
O3	S1	C5	107.948	C4	S1	C5	103.741
H6	C4	H8	110.253	H6	C4	H9	110.253
H7	C5	H10	110.253	H7	C5	H11	110.253
H8	C4	H9	111.887	H10	C5	H11	111.887

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

using model chemistry: M06-2X/Def2TZVPP

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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Number	Element	Mulliken
1	S	0.803
2	O	-0.491
3	O	-0.491
4	C	-0.389
5	C	-0.389
6	H	0.167
7	H	0.167
8	H	0.155
9	H	0.155
10	H	0.155
11	H	0.155

<r²>	125.589
(<r²>)^1/2	11.207

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

using model chemistry: M06-2X/Def2TZVPP

States and conformations

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