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	hartrees
Energy at 0K	-628.198676
Energy at 298.15K
HF Energy	-628.198676
Nuclear repulsion energy	252.157932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3241	3118	0.00
2	A₁	3103	2985	2.55
3	A₁	1498	1441	6.12
4	A₁	1374	1322	2.16
5	A₁	1055	1015	41.24
6	A₁	811	780	41.77
7	A₁	550	530	8.20
8	A₁	341	328	18.34
9	A₁	207	199	2.99
10	A₂	3236	3113	0.00
11	A₂	1500	1444	0.00
12	A₂	962	925	0.00
13	A₂	195	188	0.00
14	A₂	138	132	0.00
15	B₁	3238	3115	0.78
16	B₁	1511	1454	28.98
17	B₁	1073	1032	58.00
18	B₁	904	870	21.26
19	B₁	262	252	0.73
20	B₁	157	151	0.45
21	B₂	3240	3117	1.02
22	B₂	3101	2984	0.00
23	B₂	1489	1433	14.17
24	B₂	1351	1300	0.21
25	B₂	965	929	14.11
26	B₂	630	606	37.77
27	B₂	299	288	31.41

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.186
O2	-1.434	0.000	0.992
O3	1.434	0.000	0.992
C4	0.000	1.495	-0.987
C5	0.000	-1.495	-0.987
H6	0.000	2.366	-0.333
H7	0.000	-2.366	-0.333
H8	0.909	1.441	-1.584
H9	-0.909	1.441	-1.584
H10	-0.909	-1.441	-1.584
H11	0.909	-1.441	-1.584

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6448	1.6448	1.9004	1.9004	2.4219	2.4219	2.4561	2.4561	2.4561	2.4561
O2	1.6448		2.8673	2.8649	2.8649	3.0672	3.0672	3.7679	2.9974	2.9974	3.7679
O3	1.6448	2.8673		2.8649	2.8649	3.0672	3.0672	2.9974	3.7679	3.7679	2.9974
C4	1.9004	2.8649	2.8649		2.9907	1.0884	3.9159	1.0887	1.0887	3.1308	3.1308
C5	1.9004	2.8649	2.8649	2.9907		3.9159	1.0884	3.1308	3.1308	1.0887	1.0887
H6	2.4219	3.0672	3.0672	1.0884	3.9159		4.7312	1.8014	1.8014	4.1081	4.1081
H7	2.4219	3.0672	3.0672	3.9159	1.0884	4.7312		4.1081	4.1081	1.8014	1.8014
H8	2.4561	3.7679	2.9974	1.0887	3.1308	1.8014	4.1081		1.8180	3.4068	2.8812
H9	2.4561	2.9974	3.7679	1.0887	3.1308	1.8014	4.1081	1.8180		2.8812	3.4068
H10	2.4561	2.9974	3.7679	3.1308	1.0887	4.1081	1.8014	3.4068	2.8812		1.8180
H11	2.4561	3.7679	2.9974	3.1308	1.0887	4.1081	1.8014	2.8812	3.4068	1.8180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	104.979	S1	C4	H8	107.373
S1	C4	H9	107.373	S1	C5	H7	104.979
S1	C5	H10	107.373	S1	C5	H11	107.373
O2	S1	O3	121.301	O2	S1	C4	107.606
O2	S1	C5	107.606	O3	S1	C4	107.606
O3	S1	C5	107.606	C4	S1	C5	103.786
H6	C4	H8	111.678	H6	C4	H9	111.678
H7	C5	H10	111.678	H7	C5	H11	111.678
H8	C4	H9	113.221	H10	C5	H11	113.221

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

using model chemistry: TPSSh/6-31G

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	1.093
2	O	-0.581
3	O	-0.581
4	C	-0.653
5	C	-0.653
6	H	0.250
7	H	0.250
8	H	0.219
9	H	0.219
10	H	0.219
11	H	0.219

<r²>	145.173
(<r²>)^1/2	12.049

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

using model chemistry: TPSSh/6-31G

States and conformations

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