Charge: 2
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+2
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)
0.64400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05881
2
0.00000
0.00000
-0.05881
3
0.00000
0.00000
-0.04908
4
0.00000
0.00000
0.11556
5
0.00000
0.00000
0.11556
6
0.00000
0.00000
-0.04908
7
0.00000
0.00000
0.08697
8
0.00000
0.00000
-0.02562
9
0.00000
0.00000
-0.02562
10
0.00000
0.00000
0.08697
11
0.00000
0.00000
-0.02058
12
0.00000
0.00000
-0.03309
13
0.00000
0.00000
-0.03309
14
0.00000
0.00000
-0.02058
15
0.00000
0.00000
0.04131
16
0.00000
0.00000
0.04131
17
0.00000
0.00000
-0.01481
18
0.00000
0.00000
-0.01481
19
0.00000
0.00000
0.02364
20
0.00000
0.00000
0.02364
21
0.00000
0.00000
-0.01725
22
0.00000
0.00000
-0.01725
23
0.00000
0.00000
0.02007
24
0.00000
0.00000
0.02007
25
0.00000
0.00000
-0.03071
26
0.00000
0.00000
-0.03071
27
0.00000
0.00000
0.00286
28
0.00000
0.00000
0.00286
29
0.00000
0.00000
-0.17363
30
0.00000
0.00000
-0.17363
31
0.00000
0.00000
-0.26544
32
0.00000
0.00000
-0.26544
33
0.00000
0.00000
-0.12732
34
0.00000
0.00000
-0.12732