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	hartrees
Energy at 0K	-628.348910
Energy at 298.15K
HF Energy	-628.348910
Nuclear repulsion energy	272.488215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	3058	1.30
2	A₁	3073	2958	2.40
3	A₁	1471	1416	5.04
4	A₁	1371	1320	21.01
5	A₁	1142	1099	189.24
6	A₁	1018	980	0.20
7	A₁	670	645	11.72
8	A₁	475	457	26.45
9	A₁	269	259	2.55
10	A₂	3181	3063	0.00
11	A₂	1457	1403	0.00
12	A₂	944	909	0.00
13	A₂	288	277	0.00
14	A₂	187	180	0.00
15	B₁	3186	3067	3.80
16	B₁	1475	1420	15.67
17	B₁	1332	1282	243.59
18	B₁	1005	967	1.56
19	B₁	354	341	0.58
20	B₁	218	210	0.68
21	B₂	3175	3056	0.28
22	B₂	3070	2956	0.06
23	B₂	1460	1406	8.25
24	B₂	1351	1300	21.92
25	B₂	957	921	69.32
26	B₂	737	710	50.65
27	B₂	447	430	36.91

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.269	0.000	0.913
O3	1.269	0.000	0.913
C4	0.000	1.412	-0.918
C5	0.000	-1.412	-0.918
H6	0.000	2.292	-0.274
H7	0.000	-2.292	-0.274
H8	0.902	1.401	-1.529
H9	-0.902	1.401	-1.529
H10	-0.902	-1.401	-1.529
H11	0.902	-1.401	-1.529

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4593	1.4593	1.7963	1.7963	2.3386	2.3386	2.3958	2.3958	2.3958	2.3958
O2	1.4593		2.5375	2.6377	2.6377	2.8759	2.8759	3.5554	2.8397	2.8397	3.5554
O3	1.4593	2.5375		2.6377	2.6377	2.8759	2.8759	2.8397	3.5554	3.5554	2.8397
C4	1.7963	2.6377	2.6377		2.8241	1.0904	3.7595	1.0895	1.0895	3.0168	3.0168
C5	1.7963	2.6377	2.6377	2.8241		3.7595	1.0904	3.0168	3.0168	1.0895	1.0895
H6	2.3386	2.8759	2.8759	1.0904	3.7595		4.5835	1.7841	1.7841	4.0034	4.0034
H7	2.3386	2.8759	2.8759	3.7595	1.0904	4.5835		4.0034	4.0034	1.7841	1.7841
H8	2.3958	3.5554	2.8397	1.0895	3.0168	1.7841	4.0034		1.8038	3.3327	2.8024
H9	2.3958	2.8397	3.5554	1.0895	3.0168	1.7841	4.0034	1.8038		2.8024	3.3327
H10	2.3958	2.8397	3.5554	3.0168	1.0895	4.0034	1.7841	3.3327	2.8024		1.8038
H11	2.3958	3.5554	2.8397	3.0168	1.0895	4.0034	1.7841	2.8024	3.3327	1.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.602	S1	C4	H8	109.808
S1	C4	H9	109.808	S1	C5	H7	105.602
S1	C5	H10	109.808	S1	C5	H11	109.808
O2	S1	O3	120.778	O2	S1	C4	107.782
O2	S1	C5	107.782	O3	S1	C4	107.782
O3	S1	C5	107.782	C4	S1	C5	103.648
H6	C4	H8	109.850	H6	C4	H9	109.850
H7	C5	H10	109.850	H7	C5	H11	109.850
H8	C4	H9	111.741	H10	C5	H11	111.741

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

using model chemistry: B3PW91/6-311G*

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	0.994
2	O	-0.500
3	O	-0.500
4	C	-0.836
5	C	-0.836
6	H	0.298
7	H	0.298
8	H	0.270
9	H	0.270
10	H	0.270
11	H	0.270

<r²>	128.603
(<r²>)^1/2	11.340

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

using model chemistry: B3PW91/6-311G*

States and conformations

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