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	hartrees
Energy at 0K	-628.052663
Energy at 298.15K
HF Energy	-627.770511
Nuclear repulsion energy	271.249880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3218	3218	0.33
2	A₁	3106	3106	2.41
3	A₁	1487	1487	4.18
4	A₁	1386	1386	9.87
5	A₁	1129	1129	170.13
6	A₁	1025	1025	2.97
7	A₁	676	676	8.34
8	A₁	466	466	26.43
9	A₁	266	266	2.36
10	A₂	3218	3218	0.00
11	A₂	1476	1476	0.00
12	A₂	961	961	0.00
13	A₂	290	290	0.00
14	A₂	190	190	0.00
15	B₁	3222	3222	1.37
16	B₁	1491	1491	12.64
17	B₁	1298	1298	260.24
18	B₁	1014	1014	0.05
19	B₁	353	353	1.31
20	B₁	219	219	0.41
21	B₂	3217	3217	0.81
22	B₂	3103	3103	0.03
23	B₂	1477	1477	7.40
24	B₂	1368	1368	10.83
25	B₂	968	968	51.97
26	B₂	753	753	47.61
27	B₂	442	442	37.85

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.281	0.000	0.918
O3	1.281	0.000	0.918
C4	0.000	1.415	-0.919
C5	0.000	-1.415	-0.919
H6	0.000	2.295	-0.278
H7	0.000	-2.295	-0.278
H8	0.901	1.394	-1.530
H9	-0.901	1.394	-1.530
H10	-0.901	-1.394	-1.530
H11	0.901	-1.394	-1.530

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4738	1.4738	1.7973	1.7973	2.3418	2.3418	2.3896	2.3896	2.3896	2.3896
O2	1.4738		2.5622	2.6491	2.6491	2.8873	2.8873	3.5631	2.8422	2.8422	3.5631
O3	1.4738	2.5622		2.6491	2.6491	2.8873	2.8873	2.8422	3.5631	3.5631	2.8422
C4	1.7973	2.6491	2.6491		2.8295	1.0890	3.7645	1.0884	1.0884	3.0125	3.0125
C5	1.7973	2.6491	2.6491	2.8295		3.7645	1.0890	3.0125	3.0125	1.0884	1.0884
H6	2.3418	2.8873	2.8873	1.0890	3.7645		4.5895	1.7858	1.7858	3.9985	3.9985
H7	2.3418	2.8873	2.8873	3.7645	1.0890	4.5895		3.9985	3.9985	1.7858	1.7858
H8	2.3896	3.5631	2.8422	1.0884	3.0125	1.7858	3.9985		1.8021	3.3203	2.7887
H9	2.3896	2.8422	3.5631	1.0884	3.0125	1.7858	3.9985	1.8021		2.7887	3.3203
H10	2.3896	2.8422	3.5631	3.0125	1.0884	3.9985	1.7858	3.3203	2.7887		1.8021
H11	2.3896	3.5631	2.8422	3.0125	1.0884	3.9985	1.7858	2.7887	3.3203	1.8021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.829	S1	C4	H8	109.331
S1	C4	H9	109.331	S1	C5	H7	105.829
S1	C5	H10	109.331	S1	C5	H11	109.331
O2	S1	O3	120.743	O2	S1	C4	107.754
O2	S1	C5	107.754	O3	S1	C4	107.754
O3	S1	C5	107.754	C4	S1	C5	103.836
H6	C4	H8	110.205	H6	C4	H9	110.205
H7	C5	H10	110.205	H7	C5	H11	110.205
H8	C4	H9	111.758	H10	C5	H11	111.758

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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/6-31+G**

States and conformations

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