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	hartrees
Energy at 0K	-626.385813
Energy at 298.15K
HF Energy	-626.385813
Nuclear repulsion energy	276.504279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3101	3101	0.26
2	A₁	2994	2994	0.39
3	A₁	1376	1376	3.33
4	A₁	1271	1271	53.97
5	A₁	1172	1172	122.69
6	A₁	961	961	6.65
7	A₁	692	692	10.28
8	A₁	479	479	21.73
9	A₁	263	263	3.13
10	A₂	3108	3108	0.00
11	A₂	1361	1361	0.00
12	A₂	875	875	0.00
13	A₂	288	288	0.00
14	A₂	176	176	0.00
15	B₁	3111	3111	0.11
16	B₁	1391	1391	34.96
17	B₁	1363	1363	197.94
18	B₁	938	938	3.01
19	B₁	348	348	0.06
20	B₁	213	213	0.58
21	B₂	3100	3100	4.00
22	B₂	2992	2992	2.91
23	B₂	1363	1363	7.34
24	B₂	1251	1251	39.48
25	B₂	898	898	95.74
26	B₂	736	736	27.09
27	B₂	446	446	29.83

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.185
O2	-1.249	0.000	0.901
O3	1.249	0.000	0.901
C4	0.000	1.383	-0.901
C5	0.000	-1.383	-0.901
H6	0.000	2.264	-0.246
H7	0.000	-2.264	-0.246
H8	0.908	1.372	-1.515
H9	-0.908	1.372	-1.515
H10	-0.908	-1.372	-1.515
H11	0.908	-1.372	-1.515

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4401	1.4401	1.7579	1.7579	2.3047	2.3047	2.3657	2.3657	2.3657	2.3657
O2	1.4401		2.4990	2.5921	2.5921	2.8289	2.8289	3.5177	2.7990	2.7990	3.5177
O3	1.4401	2.4990		2.5921	2.5921	2.8289	2.8289	2.7990	3.5177	3.5177	2.7990
C4	1.7579	2.5921	2.5921		2.7651	1.0979	3.7048	1.0964	1.0964	2.9648	2.9648
C5	1.7579	2.5921	2.5921	2.7651		3.7048	1.0979	2.9648	2.9648	1.0964	1.0964
H6	2.3047	2.8289	2.8289	1.0979	3.7048		4.5280	1.7973	1.7973	3.9567	3.9567
H7	2.3047	2.8289	2.8289	3.7048	1.0979	4.5280		3.9567	3.9567	1.7973	1.7973
H8	2.3657	3.5177	2.7990	1.0964	2.9648	1.7973	3.9567		1.8167	3.2909	2.7441
H9	2.3657	2.7990	3.5177	1.0964	2.9648	1.7973	3.9567	1.8167		2.7441	3.2909
H10	2.3657	2.7990	3.5177	2.9648	1.0964	3.9567	1.7973	3.2909	2.7441		1.8167
H11	2.3657	3.5177	2.7990	2.9648	1.0964	3.9567	1.7973	2.7441	3.2909	1.8167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.255	S1	C4	H8	109.775
S1	C4	H9	109.775	S1	C5	H7	105.255
S1	C5	H10	109.775	S1	C5	H11	109.775
O2	S1	O3	120.375	O2	S1	C4	107.882
O2	S1	C5	107.882	O3	S1	C4	107.882
O3	S1	C5	107.882	C4	S1	C5	103.714
H6	C4	H8	109.975	H6	C4	H9	109.975
H7	C5	H10	109.975	H7	C5	H11	109.975
H8	C4	H9	111.876	H10	C5	H11	111.876

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

using model chemistry: LSDA/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	0.515
2	O	-0.377
3	O	-0.377
4	C	-0.384
5	C	-0.384
6	H	0.175
7	H	0.175
8	H	0.164
9	H	0.164
10	H	0.164
11	H	0.164

<r²>	125.074
(<r²>)^1/2	11.184

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

using model chemistry: LSDA/Def2TZVPP

States and conformations

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