Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q+1
Electronic States
Energy
(eV)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 c
(cm-1)
0.00590
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
-0.01839
2
0.00000
0.00000
0.01839
3
0.00000
0.00000
-0.05973
4
0.00000
0.00000
-0.01647
5
0.00000
0.00000
0.01647
6
0.00000
0.00000
0.05973
7
0.00000
0.00000
-0.07764
8
0.00000
0.00000
-0.08556
9
0.00000
0.00000
0.08556
10
0.00000
0.00000
0.07764
11
0.00000
0.00000
-0.03549
12
0.00000
0.00000
0.03795
13
0.00000
0.00000
-0.03795
14
0.00000
0.00000
0.03549
15
0.00000
0.00000
-0.06396
16
0.00000
0.00000
0.06396
17
0.00000
0.00000
0.06000
18
0.00000
0.00000
-0.06000
19
0.00000
0.00000
0.08892
20
0.00000
0.00000
-0.08892
21
0.00000
0.00000
-0.01261
22
0.00000
0.00000
0.01261
23
0.00000
0.00000
-0.08745
24
0.00000
0.00000
0.08745
25
0.00000
0.00000
0.11768
26
0.00000
0.00000
-0.11768
27
0.00000
0.00000
0.17630
28
0.00000
0.00000
-0.17630
29
0.00000
0.00000
-0.04534
30
0.00000
0.00000
0.04534
31
0.00000
0.00000
0.11311
32
0.00000
0.00000
-0.11311
33
0.00000
0.00000
-0.01607
34
0.00000
0.00000
0.01607