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)
1.17700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00050
0.00000
2
0.00000
-0.00050
0.00000
3
0.00025
0.00098
0.00000
4
-0.00025
0.00098
0.00000
5
0.00025
0.00098
0.00000
6
-0.00025
0.00098
0.00000
7
0.03581
-0.00036
0.00000
8
-0.03581
-0.00036
0.00000
9
0.03581
-0.00036
0.00000
10
-0.03581
-0.00036
0.00000
11
-0.00973
0.01525
0.00000
12
0.00973
0.01525
0.00000
13
-0.00973
0.01525
0.00000
14
0.00973
0.01525
0.00000
15
0.00000
-0.00193
0.00000
16
0.00000
-0.00193
0.00000
17
-0.42702
0.00093
0.00000
18
0.42702
0.00093
0.00000
19
-0.42702
0.00093
0.00000
20
0.42702
0.00093
0.00000
21
0.10936
-0.18593
0.00000
22
-0.10936
-0.18593
0.00000
23
0.10936
-0.18593
0.00000
24
-0.10936
-0.18593
0.00000