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	hartrees
Energy at 0K	-628.331737
Energy at 298.15K
HF Energy	-627.928928
Nuclear repulsion energy	275.170504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3181	0.88
2	A₁	3081	3081	1.84
3	A₁	1475	1475	2.88
4	A₁	1363	1363	19.07
5	A₁	1173	1173	155.20
6	A₁	1015	1015	1.12
7	A₁	686	686	11.29
8	A₁	491	491	24.19
9	A₁	271	271	2.45
10	A₂	3185	3185	0.00
11	A₂	1461	1461	0.00
12	A₂	940	940	0.00
13	A₂	300	300	0.00
14	A₂	181	181	0.00
15	B₁	3189	3189	2.22
16	B₁	1478	1478	4.70
17	B₁	1365	1365	233.60
18	B₁	998	998	0.85
19	B₁	361	361	0.42
20	B₁	215	215	0.42
21	B₂	3179	3179	0.52
22	B₂	3078	3078	0.04
23	B₂	1465	1465	5.71
24	B₂	1348	1348	15.10
25	B₂	947	947	70.70
26	B₂	748	748	42.84
27	B₂	459	459	34.62

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.252	0.000	0.907
O3	1.252	0.000	0.907
C4	0.000	1.398	-0.911
C5	0.000	-1.398	-0.911
H6	0.000	2.275	-0.270
H7	0.000	-2.275	-0.270
H8	0.898	1.381	-1.520
H9	-0.898	1.381	-1.520
H10	-0.898	-1.381	-1.520
H11	0.898	-1.381	-1.520

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4429	1.4429	1.7794	1.7794	2.3212	2.3212	2.3740	2.3740	2.3740	2.3740
O2	1.4429		2.5033	2.6130	2.6130	2.8512	2.8512	3.5242	2.8149	2.8149	3.5242
O3	1.4429	2.5033		2.6130	2.6130	2.8512	2.8512	2.8149	3.5242	3.5242	2.8149
C4	1.7794	2.6130	2.6130		2.7968	1.0863	3.7293	1.0853	1.0853	2.9837	2.9837
C5	1.7794	2.6130	2.6130	2.7968		3.7293	1.0863	2.9837	2.9837	1.0853	1.0853
H6	2.3212	2.8512	2.8512	1.0863	3.7293		4.5507	1.7803	1.7803	3.9672	3.9672
H7	2.3212	2.8512	2.8512	3.7293	1.0863	4.5507		3.9672	3.9672	1.7803	1.7803
H8	2.3740	3.5242	2.8149	1.0853	2.9837	1.7803	3.9672		1.7962	3.2947	2.7620
H9	2.3740	2.8149	3.5242	1.0853	2.9837	1.7803	3.9672	1.7962		2.7620	3.2947
H10	2.3740	2.8149	3.5242	2.9837	1.0853	3.9672	1.7803	3.2947	2.7620		1.7962
H11	2.3740	3.5242	2.8149	2.9837	1.0853	3.9672	1.7803	2.7620	3.2947	1.7962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.630	S1	C4	H8	109.536
S1	C4	H9	109.536	S1	C5	H7	105.630
S1	C5	H10	109.536	S1	C5	H11	109.536
O2	S1	O3	120.332	O2	S1	C4	107.916
O2	S1	C5	107.916	O3	S1	C4	107.916
O3	S1	C5	107.916	C4	S1	C5	103.605
H6	C4	H8	110.133	H6	C4	H9	110.133
H7	C5	H10	110.133	H7	C5	H11	110.133
H8	C4	H9	111.691	H10	C5	H11	111.691

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

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

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: B2PLYP=FULLultrafine/Def2TZVPP

States and conformations

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