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	hartrees
Energy at 0K	-628.480421
Energy at 298.15K
HF Energy	-628.480421
Nuclear repulsion energy	270.842883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3076	3059	2.09
2	A₁	2984	2968	2.73
3	A₁	1428	1420	2.64
4	A₁	1305	1297	10.85
5	A₁	1099	1093	148.59
6	A₁	974	969	0.00
7	A₁	613	610	13.16
8	A₁	457	454	17.00
9	A₁	258	256	2.42
10	A₂	3077	3060	0.00
11	A₂	1417	1410	0.00
12	A₂	903	898	0.00
13	A₂	280	278	0.00
14	A₂	173	172	0.00
15	B₁	3082	3065	3.93
16	B₁	1433	1426	7.25
17	B₁	1278	1271	228.50
18	B₁	955	950	0.26
19	B₁	341	339	0.20
20	B₁	202	201	0.37
21	B₂	3074	3058	0.33
22	B₂	2981	2965	0.15
23	B₂	1418	1410	6.41
24	B₂	1290	1283	7.37
25	B₂	909	904	51.89
26	B₂	681	677	52.65
27	B₂	427	425	23.76

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.195
O2	-1.270	0.000	0.921
O3	1.270	0.000	0.921
C4	0.000	1.430	-0.927
C5	0.000	-1.430	-0.927
H6	0.000	2.310	-0.278
H7	0.000	-2.310	-0.278
H8	0.905	1.410	-1.540
H9	-0.905	1.410	-1.540
H10	-0.905	-1.410	-1.540
H11	0.905	-1.410	-1.540

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4624	1.4624	1.8175	1.8175	2.3583	2.3583	2.4117	2.4117	2.4117	2.4117
O2	1.4624		2.5390	2.6591	2.6591	2.8960	2.8960	3.5736	2.8591	2.8591	3.5736
O3	1.4624	2.5390		2.6591	2.6591	2.8960	2.8960	2.8591	3.5736	3.5736	2.8591
C4	1.8175	2.6591	2.6591		2.8600	1.0938	3.7963	1.0931	1.0931	3.0434	3.0434
C5	1.8175	2.6591	2.6591	2.8600		3.7963	1.0938	3.0434	3.0434	1.0931	1.0931
H6	2.3583	2.8960	2.8960	1.0938	3.7963		4.6209	1.7946	1.7946	4.0318	4.0318
H7	2.3583	2.8960	2.8960	3.7963	1.0938	4.6209		4.0318	4.0318	1.7946	1.7946
H8	2.4117	3.5736	2.8591	1.0931	3.0434	1.7946	4.0318		1.8103	3.3518	2.8208
H9	2.4117	2.8591	3.5736	1.0931	3.0434	1.7946	4.0318	1.8103		2.8208	3.3518
H10	2.4117	2.8591	3.5736	3.0434	1.0931	4.0318	1.7946	3.3518	2.8208		1.8103
H11	2.4117	3.5736	2.8591	3.0434	1.0931	4.0318	1.7946	2.8208	3.3518	1.8103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.493	S1	C4	H8	109.374
S1	C4	H9	109.374	S1	C5	H7	105.493
S1	C5	H10	109.374	S1	C5	H11	109.374
O2	S1	O3	120.477	O2	S1	C4	107.841
O2	S1	C5	107.841	O3	S1	C4	107.841
O3	S1	C5	107.841	C4	S1	C5	103.775
H6	C4	H8	110.297	H6	C4	H9	110.297
H7	C5	H10	110.297	H7	C5	H11	110.297
H8	C4	H9	111.806	H10	C5	H11	111.806

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

using model chemistry: BLYP/6-311+G(3df,2p)

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	0.529
2	O	-0.433
3	O	-0.433
4	C	-0.379
5	C	-0.379
6	H	0.176
7	H	0.176
8	H	0.186
9	H	0.186
10	H	0.186
11	H	0.186

<r²>	130.342
(<r²>)^1/2	11.417

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

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

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