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	hartrees
Energy at 0K	-624.582198
Energy at 298.15K
HF Energy	-624.396638
Nuclear repulsion energy	256.418908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	3079	0.03
2	A₁	3121	2971	1.09
3	A₁	1526	1452	4.49
4	A₁	1401	1334	8.23
5	A₁	1066	1015	57.63
6	A₁	914	870	32.20
7	A₁	555	529	22.87
8	A₁	402	382	14.86
9	A₁	243	231	1.54
10	A₂	3233	3078	0.00
11	A₂	1525	1452	0.00
12	A₂	951	905	0.00
13	A₂	200	190	0.00
14	A₂	134	127	0.00
15	B₁	3237	3082	0.30
16	B₁	1540	1466	29.63
17	B₁	1155	1099	73.76
18	B₁	973	927	0.08
19	B₁	279	266	2.24
20	B₁	165	157	0.41
21	B₂	3234	3078	0.48
22	B₂	3118	2968	0.06
23	B₂	1515	1442	14.58
24	B₂	1377	1311	3.22
25	B₂	965	919	21.23
26	B₂	626	596	70.55
27	B₂	317	302	26.57

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.206
O2	-1.376	0.000	1.006
O3	1.376	0.000	1.006
C4	0.000	1.449	-1.011
C5	0.000	-1.449	-1.011
H6	0.000	2.353	-0.407
H7	0.000	-2.353	-0.407
H8	0.905	1.374	-1.610
H9	-0.905	1.374	-1.610
H10	-0.905	-1.374	-1.610
H11	0.905	-1.374	-1.610

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.5922	1.5922	1.8918	1.8918	2.4315	2.4315	2.4504	2.4504	2.4504	2.4504
O2	1.5922		2.7527	2.8393	2.8393	3.0705	3.0705	3.7333	2.9922	2.9922	3.7333
O3	1.5922	2.7527		2.8393	2.8393	3.0705	3.0705	2.9922	3.7333	3.7333	2.9922
C4	1.8918	2.8393	2.8393		2.8971	1.0879	3.8494	1.0879	1.0879	3.0244	3.0244
C5	1.8918	2.8393	2.8393	2.8971		3.8494	1.0879	3.0244	3.0244	1.0879	1.0879
H6	2.4315	3.0705	3.0705	1.0879	3.8494		4.7063	1.7958	1.7958	4.0201	4.0201
H7	2.4315	3.0705	3.0705	3.8494	1.0879	4.7063		4.0201	4.0201	1.7958	1.7958
H8	2.4504	3.7333	2.9922	1.0879	3.0244	1.7958	4.0201		1.8107	3.2916	2.7488
H9	2.4504	2.9922	3.7333	1.0879	3.0244	1.7958	4.0201	1.8107		2.7488	3.2916
H10	2.4504	2.9922	3.7333	3.0244	1.0879	4.0201	1.7958	3.2916	2.7488		1.8107
H11	2.4504	3.7333	2.9922	3.0244	1.0879	4.0201	1.7958	2.7488	3.2916	1.8107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.223	S1	C4	H8	107.563
S1	C4	H9	107.563	S1	C5	H7	106.223
S1	C5	H10	107.563	S1	C5	H11	107.563
O2	S1	O3	119.639	O2	S1	C4	108.865
O2	S1	C5	108.865	O3	S1	C4	108.865
O3	S1	C5	108.865	C4	S1	C5	99.940
H6	C4	H8	111.244	H6	C4	H9	111.244
H7	C5	H10	111.244	H7	C5	H11	111.244
H8	C4	H9	112.651	H10	C5	H11	112.651

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

using model chemistry: B2PLYP=FULL/3-21G

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/3-21G

States and conformations

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