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	hartrees
Energy at 0K	-627.290130
Energy at 298.15K
HF Energy	-626.399001
Nuclear repulsion energy	270.018836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3194	3076
2	A₁	3075	2962
3	A₁	1452	1398
4	A₁	1337	1288
5	A₁	1116	1075
6	A₁	993	956
7	A₁	674	649
8	A₁	462	445
9	A₁	262	253
10	A₂	3197	3079
11	A₂	1441	1388
12	A₂	912	878
13	A₂	278	267
14	A₂	175	169
15	B₁	3200	3082
16	B₁	1456	1403
17	B₁	1309	1261
18	B₁	974	938
19	B₁	341	328
20	B₁	210	203
21	B₂	3193	3075
22	B₂	3073	2960
23	B₂	1442	1389
24	B₂	1318	1270
25	B₂	932	898
26	B₂	737	710
27	B₂	431	415

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.196
O2	-1.294	0.000	0.918
O3	1.294	0.000	0.918
C4	0.000	1.410	-0.926
C5	0.000	-1.410	-0.926
H6	0.000	2.300	-0.276
H7	0.000	-2.300	-0.276
H8	0.913	1.387	-1.542
H9	-0.913	1.387	-1.542
H10	-0.913	-1.387	-1.542
H11	0.913	-1.387	-1.542

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4817	1.4817	1.8014	1.8014	2.3478	2.3478	2.4035	2.4035	2.4035	2.4035
O2	1.4817		2.5873	2.6574	2.6574	2.8964	2.8964	3.5841	2.8498	2.8498	3.5841
O3	1.4817	2.5873		2.6574	2.6574	2.8964	2.8964	2.8498	3.5841	3.5841	2.8498
C4	1.8014	2.6574	2.6574		2.8190	1.1025	3.7660	1.1017	1.1017	3.0053	3.0053
C5	1.8014	2.6574	2.6574	2.8190		3.7660	1.1025	3.0053	3.0053	1.1017	1.1017
H6	2.3478	2.8964	2.8964	1.1025	3.7660		4.5999	1.8085	1.8085	4.0035	4.0035
H7	2.3478	2.8964	2.8964	3.7660	1.1025	4.5999		4.0035	4.0035	1.8085	1.8085
H8	2.4035	3.5841	2.8498	1.1017	3.0053	1.8085	4.0035		1.8260	3.3205	2.7733
H9	2.4035	2.8498	3.5841	1.1017	3.0053	1.8085	4.0035	1.8260		2.7733	3.3205
H10	2.4035	2.8498	3.5841	3.0053	1.1017	4.0035	1.8085	3.3205	2.7733		1.8260
H11	2.4035	3.5841	2.8498	3.0053	1.1017	4.0035	1.8085	2.7733	3.3205	1.8260

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.351	S1	C4	H8	109.391
S1	C4	H9	109.391	S1	C5	H7	105.351
S1	C5	H10	109.391	S1	C5	H11	109.391
O2	S1	O3	121.630	O2	S1	C4	107.678
O2	S1	C5	107.678	O3	S1	C4	107.678
O3	S1	C5	107.678	C4	S1	C5	102.968
H6	C4	H8	110.273	H6	C4	H9	110.273
H7	C5	H10	110.273	H7	C5	H11	110.273
H8	C4	H9	111.945	H10	C5	H11	111.945

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

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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

using model chemistry: CCSD(T)=FULL/cc-pVDZ

States and conformations

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