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Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/
Coronene (C24H12)
Molecular Formula
C24H12
Mass
300.093900 u.
InChIKey
VPUGDVKSAQVFFS-UHFFFAOYSA-N
InChI
1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H
Related Molecules
Electronic States :




 
States found : 1

Task: OPTIMIZE C24H12/0 DFT/B3LYP/4-31G

Energy
(eV)
-920.702548

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
4-31G

Dipole Moments
(Debye)

mu_x
0.000000 mu_y
0.000000 mu_z
0.000000