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	hartrees
Energy at 0K	-627.262790
Energy at 298.15K
HF Energy	-626.400300
Nuclear repulsion energy	271.015437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3212	3212	0.66
2	A₁	3095	3095	2.51
3	A₁	1461	1461	2.97
4	A₁	1355	1355	13.92
5	A₁	1137	1137	162.93
6	A₁	1008	1008	0.01
7	A₁	694	694	10.94
8	A₁	473	473	30.95
9	A₁	267	267	1.82
10	A₂	3215	3215	0.00
11	A₂	1451	1451	0.00
12	A₂	926	926	0.00
13	A₂	283	283	0.00
14	A₂	178	178	0.00
15	B₁	3219	3219	2.72
16	B₁	1466	1466	7.97
17	B₁	1330	1330	208.88
18	B₁	989	989	0.30
19	B₁	348	348	1.70
20	B₁	211	211	0.54
21	B₂	3211	3211	0.32
22	B₂	3093	3093	0.23
23	B₂	1452	1452	6.44
24	B₂	1337	1337	9.88
25	B₂	946	946	67.08
26	B₂	755	755	45.26
27	B₂	442	442	45.08

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	-1.286	0.000	0.916
O3	1.286	0.000	0.916
C4	0.000	1.407	-0.921
C5	0.000	-1.407	-0.921
H6	0.000	2.295	-0.272
H7	0.000	-2.295	-0.272
H8	0.911	1.386	-1.537
H9	-0.911	1.386	-1.537
H10	-0.911	-1.386	-1.537
H11	0.911	-1.386	-1.537

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4756	1.4756	1.7943	1.7943	2.3417	2.3417	2.3965	2.3965	2.3965	2.3965
O2	1.4756		2.5725	2.6473	2.6473	2.8867	2.8867	3.5730	2.8420	2.8420	3.5730
O3	1.4756	2.5725		2.6473	2.6473	2.8867	2.8867	2.8420	3.5730	3.5730	2.8420
C4	1.7943	2.6473	2.6473		2.8130	1.1007	3.7582	1.0999	1.0999	3.0013	3.0013
C5	1.7943	2.6473	2.6473	2.8130		3.7582	1.1007	3.0013	3.0013	1.0999	1.0999
H6	2.3417	2.8867	2.8867	1.1007	3.7582		4.5903	1.8047	1.8047	3.9978	3.9978
H7	2.3417	2.8867	2.8867	3.7582	1.1007	4.5903		3.9978	3.9978	1.8047	1.8047
H8	2.3965	3.5730	2.8420	1.0999	3.0013	1.8047	3.9978		1.8229	3.3179	2.7722
H9	2.3965	2.8420	3.5730	1.0999	3.0013	1.8047	3.9978	1.8229		2.7722	3.3179
H10	2.3965	2.8420	3.5730	3.0013	1.0999	3.9978	1.8047	3.3179	2.7722		1.8229
H11	2.3965	3.5730	2.8420	3.0013	1.0999	3.9978	1.8047	2.7722	3.3179	1.8229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.457	S1	C4	H8	109.441
S1	C4	H9	109.441	S1	C5	H7	105.457
S1	C5	H10	109.441	S1	C5	H11	109.441
O2	S1	O3	121.311	O2	S1	C4	107.715
O2	S1	C5	107.715	O3	S1	C4	107.715
O3	S1	C5	107.715	C4	S1	C5	103.235
H6	C4	H8	110.186	H6	C4	H9	110.186
H7	C5	H10	110.186	H7	C5	H11	110.186
H8	C4	H9	111.922	H10	C5	H11	111.922

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

using model chemistry: CCSD=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=FULL/cc-pVDZ

States and conformations

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