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	hartrees
Energy at 0K	-627.247727
Energy at 298.15K
HF Energy	-626.400665
Nuclear repulsion energy	273.838836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3283	3283	0.49
2	A₁	3169	3169	0.96
3	A₁	1527	1527	2.53
4	A₁	1438	1438	17.98
5	A₁	1198	1198	184.97
6	A₁	1062	1062	0.02
7	A₁	729	729	10.68
8	A₁	504	504	32.14
9	A₁	280	280	2.27
10	A₂	3283	3283	0.00
11	A₂	1513	1513	0.00
12	A₂	991	991	0.00
13	A₂	301	301	0.00
14	A₂	197	197	0.00
15	B₁	3286	3286	2.62
16	B₁	1530	1530	9.14
17	B₁	1397	1397	255.92
18	B₁	1052	1052	0.56
19	B₁	374	374	1.49
20	B₁	230	230	0.46
21	B₂	3281	3281	0.39
22	B₂	3167	3167	0.22
23	B₂	1518	1518	5.88
24	B₂	1420	1420	15.72
25	B₂	1003	1003	72.43
26	B₂	800	800	45.53
27	B₂	468	468	46.82

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.267	0.000	0.909
O3	1.267	0.000	0.909
C4	0.000	1.400	-0.910
C5	0.000	-1.400	-0.910
H6	0.000	2.281	-0.278
H7	0.000	-2.281	-0.278
H8	0.896	1.381	-1.521
H9	-0.896	1.381	-1.521
H10	-0.896	-1.381	-1.521
H11	0.896	-1.381	-1.521

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4576	1.4576	1.7798	1.7798	2.3286	2.3286	2.3733	2.3733	2.3733	2.3733
O2	1.4576		2.5340	2.6223	2.6223	2.8669	2.8669	3.5343	2.8198	2.8198	3.5343
O3	1.4576	2.5340		2.6223	2.6223	2.8669	2.8669	2.8198	3.5343	3.5343	2.8198
C4	1.7798	2.6223	2.6223		2.8003	1.0848	3.7355	1.0843	1.0843	2.9852	2.9852
C5	1.7798	2.6223	2.6223	2.8003		3.7355	1.0848	2.9852	2.9852	1.0843	1.0843
H6	2.3286	2.8669	2.8669	1.0848	3.7355		4.5628	1.7771	1.7771	3.9703	3.9703
H7	2.3286	2.8669	2.8669	3.7355	1.0848	4.5628		3.9703	3.9703	1.7771	1.7771
H8	2.3733	3.5343	2.8198	1.0843	2.9852	1.7771	3.9703		1.7916	3.2926	2.7625
H9	2.3733	2.8198	3.5343	1.0843	2.9852	1.7771	3.9703	1.7916		2.7625	3.2926
H10	2.3733	2.8198	3.5343	2.9852	1.0843	3.9703	1.7771	3.2926	2.7625		1.7916
H11	2.3733	3.5343	2.8198	2.9852	1.0843	3.9703	1.7771	2.7625	3.2926	1.7916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.208	S1	C4	H8	109.511
S1	C4	H9	109.511	S1	C5	H7	106.208
S1	C5	H10	109.511	S1	C5	H11	109.511
O2	S1	O3	120.737	O2	S1	C4	107.773
O2	S1	C5	107.773	O3	S1	C4	107.773
O3	S1	C5	107.773	C4	S1	C5	103.751
H6	C4	H8	110.030	H6	C4	H9	110.030
H7	C5	H10	110.030	H7	C5	H11	110.030
H8	C4	H9	111.412	H10	C5	H11	111.412

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

using model chemistry: MP3=FULL/6-31G**

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/6-31G**

States and conformations

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