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	hartrees
Energy at 0K	-627.421996
Energy at 298.15K
HF Energy	-626.568699
Nuclear repulsion energy	278.952917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3286	3286	0.70
2	A₁	3185	3185	1.13
3	A₁	1536	1536	3.17
4	A₁	1443	1443	34.25
5	A₁	1278	1278	179.24
6	A₁	1068	1068	3.61
7	A₁	756	756	10.75
8	A₁	539	539	33.88
9	A₁	288	288	2.48
10	A₂	3293	3293	0.00
11	A₂	1523	1523	0.00
12	A₂	990	990	0.00
13	A₂	321	321	0.00
14	A₂	201	201	0.00
15	B₁	3298	3298	2.01
16	B₁	1542	1542	0.03
17	B₁	1480	1480	290.88
18	B₁	1054	1054	1.46
19	B₁	386	386	0.72
20	B₁	238	238	0.53
21	B₂	3284	3284	0.41
22	B₂	3182	3182	0.25
23	B₂	1527	1527	4.40
24	B₂	1426	1426	20.38
25	B₂	1002	1002	91.87
26	B₂	813	813	32.57
27	B₂	498	498	47.68

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.187
O2	-1.229	0.000	0.896
O3	1.229	0.000	0.896
C4	0.000	1.382	-0.898
C5	0.000	-1.382	-0.898
H6	0.000	2.257	-0.266
H7	0.000	-2.257	-0.266
H8	0.892	1.367	-1.505
H9	-0.892	1.367	-1.505
H10	-0.892	-1.367	-1.505
H11	0.892	-1.367	-1.505

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4189	1.4189	1.7571	1.7571	2.3019	2.3019	2.3506	2.3506	2.3506	2.3506
O2	1.4189		2.4583	2.5767	2.5767	2.8202	2.8202	3.4826	2.7829	2.7829	3.4826
O3	1.4189	2.4583		2.5767	2.5767	2.8202	2.8202	2.7829	3.4826	3.4826	2.7829
C4	1.7571	2.5767	2.5767		2.7637	1.0798	3.6934	1.0784	1.0784	2.9528	2.9528
C5	1.7571	2.5767	2.5767	2.7637		3.6934	1.0798	2.9528	2.9528	1.0784	1.0784
H6	2.3019	2.8202	2.8202	1.0798	3.6934		4.5138	1.7669	1.7669	3.9323	3.9323
H7	2.3019	2.8202	2.8202	3.6934	1.0798	4.5138		3.9323	3.9323	1.7669	1.7669
H8	2.3506	3.4826	2.7829	1.0784	2.9528	1.7669	3.9323		1.7834	3.2642	2.7340
H9	2.3506	2.7829	3.4826	1.0784	2.9528	1.7669	3.9323	1.7834		2.7340	3.2642
H10	2.3506	2.7829	3.4826	2.9528	1.0784	3.9323	1.7669	3.2642	2.7340		1.7834
H11	2.3506	3.4826	2.7829	2.9528	1.0784	3.9323	1.7669	2.7340	3.2642	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.991	S1	C4	H8	109.660
S1	C4	H9	109.660	S1	C5	H7	105.991
S1	C5	H10	109.660	S1	C5	H11	109.660
O2	S1	O3	120.058	O2	S1	C4	107.972
O2	S1	C5	107.972	O3	S1	C4	107.972
O3	S1	C5	107.972	C4	S1	C5	103.709
H6	C4	H8	109.912	H6	C4	H9	109.912
H7	C5	H10	109.912	H7	C5	H11	109.912
H8	C4	H9	111.552	H10	C5	H11	111.552

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

using model chemistry: CID/cc-pV(T+d)Z

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: CID/cc-pV(T+d)Z

States and conformations

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