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	hartrees
Energy at 0K	-627.227311
Energy at 298.15K
HF Energy	-626.400146
Nuclear repulsion energy	271.048874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	3076	0.10
2	A₁	3109	2954	1.95
3	A₁	1458	1386	3.42
4	A₁	1341	1275	19.10
5	A₁	1151	1094	158.82
6	A₁	1004	954	1.16
7	A₁	694	660	14.46
8	A₁	471	448	27.65
9	A₁	267	254	1.69
10	A₂	3242	3082	0.00
11	A₂	1446	1374	0.00
12	A₂	915	870	0.00
13	A₂	281	267	0.00
14	A₂	181	172	0.00
15	B₁	3246	3085	1.00
16	B₁	1463	1391	7.06
17	B₁	1347	1280	213.23
18	B₁	982	933	0.85
19	B₁	348	330	1.71
20	B₁	216	206	0.55
21	B₂	3235	3075	1.00
22	B₂	3107	2953	0.01
23	B₂	1448	1376	7.06
24	B₂	1323	1258	15.37
25	B₂	938	892	71.24
26	B₂	751	714	49.27
27	B₂	441	419	39.85

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.194
O2	-1.290	0.000	0.915
O3	1.290	0.000	0.915
C4	0.000	1.401	-0.922
C5	0.000	-1.401	-0.922
H6	0.000	2.289	-0.274
H7	0.000	-2.289	-0.274
H8	0.911	1.382	-1.536
H9	-0.911	1.382	-1.536
H10	-0.911	-1.382	-1.536
H11	0.911	-1.382	-1.536

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4778	1.4778	1.7917	1.7917	2.3364	2.3364	2.3942	2.3942	2.3942	2.3942
O2	1.4778		2.5797	2.6465	2.6465	2.8840	2.8840	3.5722	2.8395	2.8395	3.5722
O3	1.4778	2.5797		2.6465	2.6465	2.8840	2.8840	2.8395	3.5722	3.5722	2.8395
C4	1.7917	2.6465	2.6465		2.8026	1.0995	3.7470	1.0984	1.0984	2.9918	2.9918
C5	1.7917	2.6465	2.6465	2.8026		3.7470	1.0995	2.9918	2.9918	1.0984	1.0984
H6	2.3364	2.8840	2.8840	1.0995	3.7470		4.5782	1.8018	1.8018	3.9871	3.9871
H7	2.3364	2.8840	2.8840	3.7470	1.0995	4.5782		3.9871	3.9871	1.8018	1.8018
H8	2.3942	3.5722	2.8395	1.0984	2.9918	1.8018	3.9871		1.8212	3.3094	2.7632
H9	2.3942	2.8395	3.5722	1.0984	2.9918	1.8018	3.9871	1.8212		2.7632	3.3094
H10	2.3942	2.8395	3.5722	2.9918	1.0984	3.9871	1.8018	3.3094	2.7632		1.8212
H11	2.3942	3.5722	2.8395	2.9918	1.0984	3.9871	1.8018	2.7632	3.3094	1.8212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.307	S1	C4	H8	109.527
S1	C4	H9	109.527	S1	C5	H7	105.307
S1	C5	H10	109.527	S1	C5	H11	109.527
O2	S1	O3	121.582	O2	S1	C4	107.703
O2	S1	C5	107.703	O3	S1	C4	107.703
O3	S1	C5	107.703	C4	S1	C5	102.910
H6	C4	H8	110.132	H6	C4	H9	110.132
H7	C5	H10	110.132	H7	C5	H11	110.132
H8	C4	H9	111.997	H10	C5	H11	111.997

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

using model chemistry: MP2=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: MP2=FULL/cc-pVDZ

States and conformations

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