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	hartrees
Energy at 0K	-628.139123
Energy at 298.15K
HF Energy	-627.807362
Nuclear repulsion energy	274.426636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3203	3203	0.62
2	A₁	3095	3095	1.10
3	A₁	1478	1478	1.41
4	A₁	1363	1363	17.77
5	A₁	1174	1174	137.84
6	A₁	1013	1013	1.72
7	A₁	688	688	10.22
8	A₁	487	487	22.00
9	A₁	272	272	2.45
10	A₂	3204	3204	0.00
11	A₂	1465	1465	0.00
12	A₂	935	935	0.00
13	A₂	289	289	0.00
14	A₂	176	176	0.00
15	B₁	3208	3208	2.37
16	B₁	1483	1483	4.17
17	B₁	1377	1377	195.81
18	B₁	993	993	1.77
19	B₁	353	353	0.21
20	B₁	209	209	0.42
21	B₂	3201	3201	0.57
22	B₂	3093	3093	0.07
23	B₂	1468	1468	5.65
24	B₂	1347	1347	10.97
25	B₂	948	948	70.30
26	B₂	748	748	37.96
27	B₂	452	452	30.75

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.195
O2	-1.256	0.000	0.910
O3	1.256	0.000	0.910
C4	0.000	1.398	-0.916
C5	0.000	-1.398	-0.916
H6	0.000	2.283	-0.281
H7	0.000	-2.283	-0.281
H8	0.900	1.378	-1.528
H9	-0.900	1.378	-1.528
H10	-0.900	-1.378	-1.528
H11	0.900	-1.378	-1.528

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4457	1.4457	1.7856	1.7856	2.3318	2.3318	2.3827	2.3827	2.3827	2.3827
O2	1.4457		2.5128	2.6205	2.6205	2.8648	2.8648	3.5345	2.8233	2.8233	3.5345
O3	1.4457	2.5128		2.6205	2.6205	2.8648	2.8648	2.8233	3.5345	3.5345	2.8233
C4	1.7856	2.6205	2.6205		2.7964	1.0892	3.7355	1.0884	1.0884	2.9822	2.9822
C5	1.7856	2.6205	2.6205	2.7964		3.7355	1.0892	2.9822	2.9822	1.0884	1.0884
H6	2.3318	2.8648	2.8648	1.0892	3.7355		4.5657	1.7845	1.7845	3.9711	3.9711
H7	2.3318	2.8648	2.8648	3.7355	1.0892	4.5657		3.9711	3.9711	1.7845	1.7845
H8	2.3827	3.5345	2.8233	1.0884	2.9822	1.7845	3.9711		1.7994	3.2919	2.7566
H9	2.3827	2.8233	3.5345	1.0884	2.9822	1.7845	3.9711	1.7994		2.7566	3.2919
H10	2.3827	2.8233	3.5345	2.9822	1.0884	3.9711	1.7845	3.2919	2.7566		1.7994
H11	2.3827	3.5345	2.8233	2.9822	1.0884	3.9711	1.7845	2.7566	3.2919	1.7994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.850	S1	C4	H8	109.604
S1	C4	H9	109.604	S1	C5	H7	105.850
S1	C5	H10	109.604	S1	C5	H11	109.604
O2	S1	O3	120.698	O2	S1	C4	107.920
O2	S1	C5	107.920	O3	S1	C4	107.920
O3	S1	C5	107.920	C4	S1	C5	103.081
H6	C4	H8	110.060	H6	C4	H9	110.060
H7	C5	H10	110.060	H7	C5	H11	110.060
H8	C4	H9	111.505	H10	C5	H11	111.505

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

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