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	hartrees
Energy at 0K	-628.402883
Energy at 298.15K
HF Energy	-628.402883
Nuclear repulsion energy	267.356477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3086	3078	3.70
2	A₁	2991	2983	3.75
3	A₁	1440	1436	4.04
4	A₁	1325	1321	10.10
5	A₁	1065	1062	160.76
6	A₁	974	971	5.24
7	A₁	593	592	15.57
8	A₁	439	438	18.16
9	A₁	255	254	2.17
10	A₂	3087	3080	0.00
11	A₂	1428	1425	0.00
12	A₂	912	909	0.00
13	A₂	269	269	0.00
14	A₂	173	173	0.00
15	B₁	3092	3084	8.91
16	B₁	1444	1440	16.12
17	B₁	1238	1235	197.70
18	B₁	964	962	0.11
19	B₁	334	334	0.53
20	B₁	200	200	0.53
21	B₂	3085	3077	0.01
22	B₂	2988	2980	0.95
23	B₂	1431	1427	8.59
24	B₂	1305	1302	9.01
25	B₂	922	920	47.62
26	B₂	664	663	64.60
27	B₂	410	409	25.44

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.201
O2	-1.294	0.000	0.930
O3	1.294	0.000	0.930
C4	0.000	1.444	-0.942
C5	0.000	-1.444	-0.942
H6	0.000	2.328	-0.294
H7	0.000	-2.328	-0.294
H8	0.908	1.426	-1.555
H9	-0.908	1.426	-1.555
H10	-0.908	-1.426	-1.555
H11	0.908	-1.426	-1.555

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4850	1.4850	1.8419	1.8419	2.3801	2.3801	2.4375	2.4375	2.4375	2.4375
O2	1.4850		2.5875	2.6953	2.6953	2.9313	2.9313	3.6134	2.8913	2.8913	3.6134
O3	1.4850	2.5875		2.6953	2.6953	2.9313	2.9313	2.8913	3.6134	3.6134	2.8913
C4	1.8419	2.6953	2.6953		2.8882	1.0960	3.8274	1.0955	1.0955	3.0718	3.0718
C5	1.8419	2.6953	2.6953	2.8882		3.8274	1.0960	3.0718	3.0718	1.0955	1.0955
H6	2.3801	2.9313	2.9313	1.0960	3.8274		4.6560	1.7968	1.7968	4.0626	4.0626
H7	2.3801	2.9313	2.9313	3.8274	1.0960	4.6560		4.0626	4.0626	1.7968	1.7968
H8	2.4375	3.6134	2.8913	1.0955	3.0718	1.7968	4.0626		1.8152	3.3802	2.8514
H9	2.4375	2.8913	3.6134	1.0955	3.0718	1.7968	4.0626	1.8152		2.8514	3.3802
H10	2.4375	2.8913	3.6134	3.0718	1.0955	4.0626	1.7968	3.3802	2.8514		1.8152
H11	2.4375	3.6134	2.8913	3.0718	1.0955	4.0626	1.7968	2.8514	3.3802	1.8152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.389	S1	C4	H8	109.528
S1	C4	H9	109.528	S1	C5	H7	105.389
S1	C5	H10	109.528	S1	C5	H11	109.528
O2	S1	O3	121.194	O2	S1	C4	107.742
O2	S1	C5	107.742	O3	S1	C4	107.742
O3	S1	C5	107.742	C4	S1	C5	103.266
H6	C4	H8	110.152	H6	C4	H9	110.152
H7	C5	H10	110.152	H7	C5	H11	110.152
H8	C4	H9	111.884	H10	C5	H11	111.884

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

using model chemistry: BLYP/6-311G*

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	0.910
2	O	-0.455
3	O	-0.455
4	C	-0.757
5	C	-0.757
6	H	0.270
7	H	0.270
8	H	0.243
9	H	0.243
10	H	0.243
11	H	0.243

<r²>	133.206
(<r²>)^1/2	11.541

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

using model chemistry: BLYP/6-311G*

States and conformations

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