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	hartrees
Energy at 0K	-56.748530
Energy at 298.15K
HF Energy	-56.748530
Nuclear repulsion energy	101.722585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3217	3217	0.11
2	A₁	3059	3059	12.25
3	A₁	1458	1458	8.54
4	A₁	1383	1383	1.53
5	A₁	1067	1067	39.90
6	A₁	758	758	31.93
7	A₁	594	594	0.11
8	A₁	308	308	26.07
9	A₁	210	210	5.23
10	A₂	3220	3220	0.00
11	A₂	1470	1470	0.00
12	A₂	984	984	0.00
13	A₂	214	214	0.00
14	A₂	134	134	0.00
15	B₁	3222	3222	1.19
16	B₁	1481	1481	28.30
17	B₁	1066	1066	40.83
18	B₁	854	854	29.94
19	B₁	261	261	0.75
20	B₁	164	164	1.00
21	B₂	3215	3215	0.24
22	B₂	3057	3057	7.57
23	B₂	1448	1448	13.19
24	B₂	1357	1357	0.06
25	B₂	977	977	12.35
26	B₂	689	689	9.59
27	B₂	302	302	52.18

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.167
O2	-1.451	0.000	0.980
O3	1.451	0.000	0.980
C4	0.000	1.503	-0.962
C5	0.000	-1.503	-0.962
H6	0.000	2.357	-0.284
H7	0.000	-2.357	-0.284
H8	0.911	1.467	-1.558
H9	-0.911	1.467	-1.558
H10	-0.911	-1.467	-1.558
H11	0.911	-1.467	-1.558

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6636	1.6636	1.8796	1.8796	2.3995	2.3995	2.4406	2.4406	2.4406	2.4406
O2	1.6636		2.9027	2.8523	2.8523	3.0428	3.0428	3.7649	2.9807	2.9807	3.7649
O3	1.6636	2.9027		2.8523	2.8523	3.0428	3.0428	2.9807	3.7649	3.7649	2.9807
C4	1.8796	2.8523	2.8523		3.0065	1.0896	3.9190	1.0898	1.0898	3.1633	3.1633
C5	1.8796	2.8523	2.8523	3.0065		3.9190	1.0896	3.1633	3.1633	1.0898	1.0898
H6	2.3995	3.0428	3.0428	1.0896	3.9190		4.7136	1.8016	1.8016	4.1318	4.1318
H7	2.3995	3.0428	3.0428	3.9190	1.0896	4.7136		4.1318	4.1318	1.8016	1.8016
H8	2.4406	3.7649	2.9807	1.0898	3.1633	1.8016	4.1318		1.8225	3.4533	2.9332
H9	2.4406	2.9807	3.7649	1.0898	3.1633	1.8016	4.1318	1.8225		2.9332	3.4533
H10	2.4406	2.9807	3.7649	3.1633	1.0898	4.1318	1.8016	3.4533	2.9332		1.8225
H11	2.4406	3.7649	2.9807	3.1633	1.0898	4.1318	1.8016	2.9332	3.4533	1.8225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	104.677	S1	C4	H8	107.563
S1	C4	H9	107.563	S1	C5	H7	104.677
S1	C5	H10	107.563	S1	C5	H11	107.563
O2	S1	O3	121.475	O2	S1	C4	107.063
O2	S1	C5	107.063	O3	S1	C4	107.063
O3	S1	C5	107.063	C4	S1	C5	106.221
H6	C4	H8	111.510	H6	C4	H9	111.510
H7	C5	H10	111.510	H7	C5	H11	111.510
H8	C4	H9	113.469	H10	C5	H11	113.469

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

using model chemistry: wB97X-D/CEP-121G

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	0.898
2	O	-0.542
3	O	-0.542
4	C	-0.608
5	C	-0.608
6	H	0.262
7	H	0.262
8	H	0.220
9	H	0.220
10	H	0.220
11	H	0.220

<r²>	119.630
(<r²>)^1/2	10.938

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

using model chemistry: wB97X-D/CEP-121G

States and conformations

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