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)
-538.83524
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)
0.07213 b
(cm-1)
0.01479 c
(cm-1)
0.01228
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)
0.11200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.09994
2
0.00000
0.00000
-0.09994
3
0.00000
0.00000
-0.06375
4
0.00000
0.00000
-0.06375
5
0.00000
0.00000
-0.06375
6
0.00000
0.00000
-0.06375
7
0.00000
0.00000
0.00757
8
0.00000
0.00000
0.00757
9
0.00000
0.00000
0.00757
10
0.00000
0.00000
0.00757
11
0.00000
0.00000
0.09528
12
0.00000
0.00000
0.09528
13
0.00000
0.00000
0.09528
14
0.00000
0.00000
0.09528
15
0.00000
0.00000
-0.09400
16
0.00000
0.00000
-0.09400
17
0.00000
0.00000
0.01248
18
0.00000
0.00000
0.01248
19
0.00000
0.00000
0.01248
20
0.00000
0.00000
0.01248
21
0.00000
0.00000
0.16386
22
0.00000
0.00000
0.16386
23
0.00000
0.00000
0.16386
24
0.00000
0.00000
0.16386