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	hartrees
Energy at 0K	-628.585595
Energy at 298.15K
HF Energy	-628.585595
Nuclear repulsion energy	274.237784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3153	3153	2.39
2	A₁	3055	3055	2.57
3	A₁	1471	1471	2.19
4	A₁	1349	1349	16.69
5	A₁	1161	1161	156.56
6	A₁	1004	1004	1.06
7	A₁	665	665	11.06
8	A₁	480	480	21.81
9	A₁	258	258	2.38
10	A₂	3156	3156	0.00
11	A₂	1458	1458	0.00
12	A₂	926	926	0.00
13	A₂	285	285	0.00
14	A₂	180	180	0.00
15	B₁	3160	3160	4.97
16	B₁	1475	1475	4.38
17	B₁	1354	1354	233.20
18	B₁	984	984	0.76
19	B₁	345	345	0.28
20	B₁	209	209	0.43
21	B₂	3152	3152	0.15
22	B₂	3052	3052	0.04
23	B₂	1461	1461	5.49
24	B₂	1332	1332	10.24
25	B₂	933	933	70.29
26	B₂	727	727	43.57
27	B₂	444	444	31.06

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.190
O2	-1.255	0.000	0.909
O3	1.255	0.000	0.909
C4	0.000	1.407	-0.913
C5	0.000	-1.407	-0.913
H6	0.000	2.284	-0.267
H7	0.000	-2.284	-0.267
H8	0.901	1.391	-1.525
H9	-0.901	1.391	-1.525
H10	-0.901	-1.391	-1.525
H11	0.901	-1.391	-1.525

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4461	1.4461	1.7880	1.7880	2.3288	2.3288	2.3847	2.3847	2.3847	2.3847
O2	1.4461		2.5092	2.6221	2.6221	2.8585	2.8585	3.5362	2.8254	2.8254	3.5362
O3	1.4461	2.5092		2.6221	2.6221	2.8585	2.8585	2.8254	3.5362	3.5362	2.8254
C4	1.7880	2.6221	2.6221		2.8135	1.0897	3.7466	1.0888	1.0888	3.0020	3.0020
C5	1.7880	2.6221	2.6221	2.8135		3.7466	1.0897	3.0020	3.0020	1.0888	1.0888
H6	2.3288	2.8585	2.8585	1.0897	3.7466		4.5671	1.7864	1.7864	3.9870	3.9870
H7	2.3288	2.8585	2.8585	3.7466	1.0897	4.5671		3.9870	3.9870	1.7864	1.7864
H8	2.3847	3.5362	2.8254	1.0888	3.0020	1.7864	3.9870		1.8020	3.3144	2.7818
H9	2.3847	2.8254	3.5362	1.0888	3.0020	1.7864	3.9870	1.8020		2.7818	3.3144
H10	2.3847	2.8254	3.5362	3.0020	1.0888	3.9870	1.7864	3.3144	2.7818		1.8020
H11	2.3847	3.5362	2.8254	3.0020	1.0888	3.9870	1.7864	2.7818	3.3144	1.8020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.462	S1	C4	H8	109.572
S1	C4	H9	109.572	S1	C5	H7	105.462
S1	C5	H10	109.572	S1	C5	H11	109.572
O2	S1	O3	120.365	O2	S1	C4	107.875
O2	S1	C5	107.875	O3	S1	C4	107.875
O3	S1	C5	107.875	C4	S1	C5	103.764
H6	C4	H8	110.176	H6	C4	H9	110.176
H7	C5	H10	110.176	H7	C5	H11	110.176
H8	C4	H9	111.692	H10	C5	H11	111.692

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

using model chemistry: TPSSh/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	0.736
2	O	-0.456
3	O	-0.456
4	C	-0.191
5	C	-0.191
6	H	0.099
7	H	0.099
8	H	0.090
9	H	0.090
10	H	0.090
11	H	0.090

<r²>	127.009
(<r²>)^1/2	11.270

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

using model chemistry: TPSSh/Def2TZVPP

States and conformations

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