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Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/
Anthracene (C14H10)
Molecular Formula
C14H10
Mass
178.078250 u.
InChIKey
MWPLVEDNUUSJAV-UHFFFAOYSA-N
InChI
1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
Related Molecules
Electronic States :




 
States found : 2

Task: OPTIMIZE C14H10/0 DFT+D/B3LYP/D95V**

Energy
(eV)
-539.645695

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**

Rotational Constants
(cm-1)

a
0.071117 b
0.015010 c
0.012394

Task: FREQUENCIES C14H10/0 DFT+D/B3LYP/D95V**

Energy
(eV)
-539.645695

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
no

Theory Level
DFT
B3LYP

Basis Sets
D95V**

Rotational Constants
(cm-1)

a
0.071118 b
0.015010 c
0.012394

Vibration Analisys

Harmonic: link
Anharmonic: None