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	hartrees
Energy at 0K	-240.168043
Energy at 298.15K
HF Energy	-240.168043
Nuclear repulsion energy	154.462621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	3110	0.63
2	A₁	3094	2974	4.97
3	A₁	1463	1406	9.11
4	A₁	1381	1327	2.54
5	A₁	1064	1023	54.74
6	A₁	782	752	50.99
7	A₁	556	535	4.70
8	A₁	328	315	21.08
9	A₁	215	207	3.48
10	A₂	3236	3111	0.00
11	A₂	1471	1414	0.00
12	A₂	986	948	0.00
13	A₂	228	219	0.00
14	A₂	141	135	0.00
15	B₁	3239	3113	3.71
16	B₁	1480	1423	28.39
17	B₁	1077	1035	60.54
18	B₁	877	843	32.88
19	B₁	268	258	1.60
20	B₁	174	167	0.35
21	B₂	3234	3108	0.00
22	B₂	3092	2972	0.05
23	B₂	1452	1396	14.06
24	B₂	1358	1305	2.83
25	B₂	978	940	17.65
26	B₂	642	617	41.38
27	B₂	318	306	42.14

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.227
O2	-1.436	0.000	1.025
O3	1.436	0.000	1.025
C4	0.000	1.502	-0.928
C5	0.000	-1.502	-0.928
H6	0.000	2.365	-0.260
H7	0.000	-2.365	-0.260
H8	0.910	1.463	-1.528
H9	-0.910	1.463	-1.528
H10	-0.910	-1.463	-1.528
H11	0.910	-1.463	-1.528

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6428	1.6428	1.8945	1.8945	2.4147	2.4147	2.4586	2.4586	2.4586	2.4586
O2	1.6428		2.8712	2.8515	2.8515	3.0506	3.0506	3.7628	2.9885	2.9885	3.7628
O3	1.6428	2.8712		2.8515	2.8515	3.0506	3.0506	2.9885	3.7628	3.7628	2.9885
C4	1.8945	2.8515	2.8515		3.0048	1.0910	3.9248	1.0910	1.0910	3.1591	3.1591
C5	1.8945	2.8515	2.8515	3.0048		3.9248	1.0910	3.1591	3.1591	1.0910	1.0910
H6	2.4147	3.0506	3.0506	1.0910	3.9248		4.7303	1.8028	1.8028	4.1337	4.1337
H7	2.4147	3.0506	3.0506	3.9248	1.0910	4.7303		4.1337	4.1337	1.8028	1.8028
H8	2.4586	3.7628	2.9885	1.0910	3.1591	1.8028	4.1337		1.8207	3.4455	2.9252
H9	2.4586	2.9885	3.7628	1.0910	3.1591	1.8028	4.1337	1.8207		2.9252	3.4455
H10	2.4586	2.9885	3.7628	3.1591	1.0910	4.1337	1.8028	3.4455	2.9252		1.8207
H11	2.4586	3.7628	2.9885	3.1591	1.0910	4.1337	1.8028	2.9252	3.4455	1.8207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	104.733	S1	C4	H8	107.824
S1	C4	H9	107.824	S1	C5	H7	104.733
S1	C5	H10	107.824	S1	C5	H11	107.824
O2	S1	O3	121.827	O2	S1	C4	107.226
O2	S1	C5	107.226	O3	S1	C4	107.226
O3	S1	C5	107.226	C4	S1	C5	104.937
H6	C4	H8	111.432	H6	C4	H9	111.432
H7	C5	H10	111.432	H7	C5	H11	111.432
H8	C4	H9	113.110	H10	C5	H11	113.110

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

using model chemistry: B3LYP/LANL2DZ

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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Number	Element	Mulliken
1	S	1.015
2	O	-0.603
3	O	-0.603
4	C	-0.702
5	C	-0.702
6	H	0.292
7	H	0.292
8	H	0.253
9	H	0.253
10	H	0.253
11	H	0.253

<r²>	144.525
(<r²>)^1/2	12.022

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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