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	hartrees
Energy at 0K	-627.419510
Energy at 298.15K
HF Energy	-626.485960
Nuclear repulsion energy	269.689364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3189	3071
2	A₁	3075	2961
3	A₁	1473	1418
4	A₁	1378	1326
5	A₁	1113	1071
6	A₁	1011	973
7	A₁	661	636
8	A₁	448	431
9	A₁	262	252
10	A₂	3190	3072
11	A₂	1458	1404
12	A₂	951	916
13	A₂	292	281
14	A₂	170	164
15	B₁	3193	3075
16	B₁	1475	1420
17	B₁	1288	1240
18	B₁	998	961
19	B₁	350	337
20	B₁	216	208
21	B₂	3188	3069
22	B₂	3073	2959
23	B₂	1461	1407
24	B₂	1358	1307
25	B₂	954	919
26	B₂	735	708
27	B₂	436	420

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.194
O2	-1.289	0.000	0.926
O3	1.289	0.000	0.926
C4	0.000	1.418	-0.931
C5	0.000	-1.418	-0.931
H6	0.000	2.301	-0.291
H7	0.000	-2.301	-0.291
H8	0.903	1.389	-1.541
H9	-0.903	1.389	-1.541
H10	-0.903	-1.389	-1.541
H11	0.903	-1.389	-1.541

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4828	1.4828	1.8103	1.8103	2.3515	2.3515	2.3989	2.3989	2.3989	2.3989
O2	1.4828		2.5790	2.6691	2.6691	2.9049	2.9049	3.5810	2.8573	2.8573	3.5810
O3	1.4828	2.5790		2.6691	2.6691	2.9049	2.9049	2.8573	3.5810	3.5810	2.8573
C4	1.8103	2.6691	2.6691		2.8359	1.0907	3.7735	1.0900	1.0900	3.0109	3.0109
C5	1.8103	2.6691	2.6691	2.8359		3.7735	1.0907	3.0109	3.0109	1.0900	1.0900
H6	2.3515	2.9049	2.9049	1.0907	3.7735		4.6018	1.7915	1.7915	3.9990	3.9990
H7	2.3515	2.9049	2.9049	3.7735	1.0907	4.6018		3.9990	3.9990	1.7915	1.7915
H8	2.3989	3.5810	2.8573	1.0900	3.0109	1.7915	3.9990		1.8066	3.3135	2.7777
H9	2.3989	2.8573	3.5810	1.0900	3.0109	1.7915	3.9990	1.8066		2.7777	3.3135
H10	2.3989	2.8573	3.5810	3.0109	1.0900	3.9990	1.7915	3.3135	2.7777		1.8066
H11	2.3989	3.5810	2.8573	3.0109	1.0900	3.9990	1.7915	2.7777	3.3135	1.8066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.610	S1	C4	H8	109.067
S1	C4	H9	109.067	S1	C5	H7	105.610
S1	C5	H10	109.067	S1	C5	H11	109.067
O2	S1	O3	120.830	O2	S1	C4	107.875
O2	S1	C5	107.875	O3	S1	C4	107.875
O3	S1	C5	107.875	C4	S1	C5	103.118
H6	C4	H8	110.476	H6	C4	H9	110.476
H7	C5	H10	110.476	H7	C5	H11	110.476
H8	C4	H9	111.929	H10	C5	H11	111.929

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

using model chemistry: MP4/TZVP

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: MP4/TZVP

States and conformations

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