Anthracene (C14H10)
General Molecule Info
Charge: 0
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
Electronic States
Energy From
Energy
(eV)
-538.58492
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Energy To
Energy
(eV)
-538.83499
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
a
(cm-1)
0.07163 b
(cm-1)
0.01506 c
(cm-1)
0.01244 wilson
dj
wilson
djk
wilson
dk
(cm-1)
0.07163 b
(cm-1)
0.01506 c
(cm-1)
0.01244 wilson
dj
wilson
djk
wilson
dk
nielsen
dj
nielsen
djk
nielsen
dk
nielsen
d_j
nielsen
r5
nielsen
r6
dj
nielsen
djk
nielsen
dk
nielsen
d_j
nielsen
r5
nielsen
r6
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Energy
(eV)
0.25007