Charge: 1
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+1
Electronic States
Energy
(eV)
-539.31632
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)
Rotational Constants
(cm-1)
0.07158 b
(cm-1)
0.01500 c
(cm-1)
0.01240
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00000
2
0.00000
0.00000
0.00000
3
0.00000
0.00000
0.11497
4
0.00000
0.00000
-0.11497
5
0.00000
0.00000
0.11497
6
0.00000
0.00000
-0.11497
7
0.00000
0.00000
-0.03298
8
0.00000
0.00000
0.03298
9
0.00000
0.00000
-0.03298
10
0.00000
0.00000
0.03298
11
0.00000
0.00000
0.04506
12
0.00000
0.00000
-0.04506
13
0.00000
0.00000
0.04506
14
0.00000
0.00000
-0.04506
15
0.00000
0.00000
0.00000
16
0.00000
0.00000
0.00000
17
0.00000
0.00000
-0.22852
18
0.00000
0.00000
0.22852
19
0.00000
0.00000
-0.22852
20
0.00000
0.00000
0.22852
21
0.00000
0.00000
0.03637
22
0.00000
0.00000
-0.03637
23
0.00000
0.00000
0.03637
24
0.00000
0.00000
-0.03637