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	hartrees
Energy at 0K	-627.247164
Energy at 298.15K
HF Energy	-626.401282
Nuclear repulsion energy	271.942750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	3043	0.29
2	A₁	3119	2933	1.63
3	A₁	1464	1377	3.29
4	A₁	1360	1279	19.56
5	A₁	1160	1091	180.02
6	A₁	1014	953	0.40
7	A₁	706	664	11.97
8	A₁	483	454	32.66
9	A₁	269	253	1.92
10	A₂	3240	3047	0.00
11	A₂	1454	1367	0.00
12	A₂	928	873	0.00
13	A₂	287	270	0.00
14	A₂	180	170	0.00
15	B₁	3244	3050	1.79
16	B₁	1470	1382	7.03
17	B₁	1357	1276	238.49
18	B₁	995	936	0.51
19	B₁	352	331	1.65
20	B₁	214	201	0.58
21	B₂	3235	3042	0.58
22	B₂	3117	2931	0.00
23	B₂	1455	1368	6.23
24	B₂	1343	1263	13.28
25	B₂	950	893	75.96
26	B₂	763	718	44.78
27	B₂	450	423	47.53

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.279	0.000	0.913
O3	1.279	0.000	0.913
C4	0.000	1.404	-0.918
C5	0.000	-1.404	-0.918
H6	0.000	2.291	-0.269
H7	0.000	-2.291	-0.269
H8	0.910	1.384	-1.532
H9	-0.910	1.384	-1.532
H10	-0.910	-1.384	-1.532
H11	0.910	-1.384	-1.532

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4683	1.4683	1.7901	1.7901	2.3367	2.3367	2.3913	2.3913	2.3913	2.3913
O2	1.4683		2.5578	2.6386	2.6386	2.8776	2.8776	3.5624	2.8343	2.8343	3.5624
O3	1.4683	2.5578		2.6386	2.6386	2.8776	2.8776	2.8343	3.5624	3.5624	2.8343
C4	1.7901	2.6386	2.6386		2.8085	1.0992	3.7518	1.0983	1.0983	2.9971	2.9971
C5	1.7901	2.6386	2.6386	2.8085		3.7518	1.0992	2.9971	2.9971	1.0983	1.0983
H6	2.3367	2.8776	2.8776	1.0992	3.7518		4.5817	1.8021	1.8021	3.9917	3.9917
H7	2.3367	2.8776	2.8776	3.7518	1.0992	4.5817		3.9917	3.9917	1.8021	1.8021
H8	2.3913	3.5624	2.8343	1.0983	2.9971	1.8021	3.9917		1.8209	3.3138	2.7688
H9	2.3913	2.8343	3.5624	1.0983	2.9971	1.8021	3.9917	1.8209		2.7688	3.3138
H10	2.3913	2.8343	3.5624	2.9971	1.0983	3.9917	1.8021	3.3138	2.7688		1.8209
H11	2.3913	3.5624	2.8343	2.9971	1.0983	3.9917	1.8021	2.7688	3.3138	1.8209

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.434	S1	C4	H8	109.423
S1	C4	H9	109.423	S1	C5	H7	105.434
S1	C5	H10	109.423	S1	C5	H11	109.423
O2	S1	O3	121.148	O2	S1	C4	107.740
O2	S1	C5	107.740	O3	S1	C4	107.740
O3	S1	C5	107.740	C4	S1	C5	103.339
H6	C4	H8	110.186	H6	C4	H9	110.186
H7	C5	H10	110.186	H7	C5	H11	110.186
H8	C4	H9	111.976	H10	C5	H11	111.976

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

using model chemistry: MP3=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: MP3=FULL/cc-pVDZ

States and conformations

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