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	hartrees
Energy at 0K	-627.373699
Energy at 298.15K
HF Energy	-626.430406
Nuclear repulsion energy	267.472791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3192	3118
2	A₁	3085	3014
3	A₁	1503	1469
4	A₁	1410	1377
5	A₁	1148	1121
6	A₁	1036	1012
7	A₁	693	677
8	A₁	477	466
9	A₁	272	266
10	A₂	3193	3119
11	A₂	1491	1457
12	A₂	975	953
13	A₂	286	279
14	A₂	195	190
15	B₁	3196	3122
16	B₁	1507	1472
17	B₁	1335	1304
18	B₁	1029	1006
19	B₁	360	351
20	B₁	226	221
21	B₂	3191	3117
22	B₂	3083	3012
23	B₂	1495	1460
24	B₂	1392	1360
25	B₂	988	965
26	B₂	772	755
27	B₂	442	432

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.190
O2	-1.308	0.000	0.932
O3	1.308	0.000	0.932
C4	0.000	1.423	-0.934
C5	0.000	-1.423	-0.934
H6	0.000	2.310	-0.281
H7	0.000	-2.310	-0.281
H8	0.916	1.386	-1.547
H9	-0.916	1.386	-1.547
H10	-0.916	-1.386	-1.547
H11	0.916	-1.386	-1.547

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.5041	1.5041	1.8133	1.8133	2.3579	2.3579	2.4038	2.4038	2.4038	2.4038
O2	1.5041		2.6165	2.6870	2.6870	2.9191	2.9191	3.6076	2.8677	2.8677	3.6076
O3	1.5041	2.6165		2.6870	2.6870	2.9191	2.9191	2.8677	3.6076	3.6076	2.8677
C4	1.8133	2.6870	2.6870		2.8451	1.1022	3.7896	1.1022	1.1022	3.0173	3.0173
C5	1.8133	2.6870	2.6870	2.8451		3.7896	1.1022	3.0173	3.0173	1.1022	1.1022
H6	2.3579	2.9191	2.9191	1.1022	3.7896		4.6206	1.8151	1.8151	4.0134	4.0134
H7	2.3579	2.9191	2.9191	3.7896	1.1022	4.6206		4.0134	4.0134	1.8151	1.8151
H8	2.4038	3.6076	2.8677	1.1022	3.0173	1.8151	4.0134		1.8311	3.3230	2.7730
H9	2.4038	2.8677	3.6076	1.1022	3.0173	1.8151	4.0134	1.8311		2.7730	3.3230
H10	2.4038	2.8677	3.6076	3.0173	1.1022	4.0134	1.8151	3.3230	2.7730		1.8311
H11	2.4038	3.6076	2.8677	3.0173	1.1022	4.0134	1.8151	2.7730	3.3230	1.8311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.326	S1	C4	H8	108.604
S1	C4	H9	108.604	S1	C5	H7	105.326
S1	C5	H10	108.604	S1	C5	H11	108.604
O2	S1	O3	120.863	O2	S1	C4	107.818
O2	S1	C5	107.818	O3	S1	C4	107.818
O3	S1	C5	107.818	C4	S1	C5	103.352
H6	C4	H8	110.844	H6	C4	H9	110.844
H7	C5	H10	110.844	H7	C5	H11	110.844
H8	C4	H9	112.327	H10	C5	H11	112.327

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

using model chemistry: MP4/aug-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: MP4/aug-cc-pVDZ

States and conformations

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