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	hartrees
Energy at 0K	-628.568202
Energy at 298.15K
HF Energy	-628.568202
Nuclear repulsion energy	274.504178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	3149	1.15
2	A₁	3055	3055	1.89
3	A₁	1464	1464	3.13
4	A₁	1354	1354	17.91
5	A₁	1165	1165	161.72
6	A₁	1010	1010	0.91
7	A₁	669	669	11.38
8	A₁	487	487	22.51
9	A₁	270	270	2.66
10	A₂	3153	3153	0.00
11	A₂	1452	1452	0.00
12	A₂	935	935	0.00
13	A₂	296	296	0.00
14	A₂	184	184	0.00
15	B₁	3157	3157	2.39
16	B₁	1469	1469	5.84
17	B₁	1351	1351	256.71
18	B₁	992	992	0.84
19	B₁	359	359	0.26
20	B₁	215	215	0.42
21	B₂	3148	3148	0.64
22	B₂	3052	3052	0.01
23	B₂	1453	1453	6.14
24	B₂	1339	1339	12.88
25	B₂	943	943	65.61
26	B₂	733	733	43.81
27	B₂	455	455	31.83

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.251	0.000	0.909
O3	1.251	0.000	0.909
C4	0.000	1.409	-0.912
C5	0.000	-1.409	-0.912
H6	0.000	2.286	-0.268
H7	0.000	-2.286	-0.268
H8	0.899	1.393	-1.522
H9	-0.899	1.393	-1.522
H10	-0.899	-1.393	-1.522
H11	0.899	-1.393	-1.522

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4429	1.4429	1.7887	1.7887	2.3312	2.3312	2.3834	2.3834	2.3834	2.3834
O2	1.4429		2.5013	2.6205	2.6205	2.8592	2.8592	3.5322	2.8243	2.8243	3.5322
O3	1.4429	2.5013		2.6205	2.6205	2.8592	2.8592	2.8243	3.5322	3.5322	2.8243
C4	1.7887	2.6205	2.6205		2.8182	1.0879	3.7507	1.0870	1.0870	3.0059	3.0059
C5	1.7887	2.6205	2.6205	2.8182		3.7507	1.0879	3.0059	3.0059	1.0870	1.0870
H6	2.3312	2.8592	2.8592	1.0879	3.7507		4.5717	1.7829	1.7829	3.9898	3.9898
H7	2.3312	2.8592	2.8592	3.7507	1.0879	4.5717		3.9898	3.9898	1.7829	1.7829
H8	2.3834	3.5322	2.8243	1.0870	3.0059	1.7829	3.9898		1.7989	3.3169	2.7867
H9	2.3834	2.8243	3.5322	1.0870	3.0059	1.7829	3.9898	1.7989		2.7867	3.3169
H10	2.3834	2.8243	3.5322	3.0059	1.0870	3.9898	1.7829	3.3169	2.7867		1.7989
H11	2.3834	3.5322	2.8243	3.0059	1.0870	3.9898	1.7829	2.7867	3.3169	1.7989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.674	S1	C4	H8	109.530
S1	C4	H9	109.530	S1	C5	H7	105.674
S1	C5	H10	109.530	S1	C5	H11	109.530
O2	S1	O3	120.167	O2	S1	C4	107.890
O2	S1	C5	107.890	O3	S1	C4	107.890
O3	S1	C5	107.890	C4	S1	C5	103.961
H6	C4	H8	110.123	H6	C4	H9	110.123
H7	C5	H10	110.123	H7	C5	H11	110.123
H8	C4	H9	111.683	H10	C5	H11	111.683

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

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

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	0.617
2	O	-0.479
3	O	-0.479
4	C	-0.378
5	C	-0.378
6	H	0.175
7	H	0.175
8	H	0.187
9	H	0.187
10	H	0.187
11	H	0.187

<r²>	127.257
(<r²>)^1/2	11.281

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

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

States and conformations

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