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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 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
-0.00290
-0.00817
0.00000
2
0.00290
0.00817
0.00000
3
-0.01885
-0.02493
0.00000
4
-0.00334
-0.02231
0.00000
5
0.00334
0.02231
0.00000
6
0.01886
0.02494
0.00000
7
-0.05409
0.04117
0.00000
8
-0.08753
0.02324
0.00000
9
0.08753
-0.02324
0.00000
10
0.05409
-0.04117
0.00000
11
0.01227
-0.05566
0.00000
12
0.00951
-0.05272
0.00000
13
-0.00951
0.05272
0.00000
14
-0.01228
0.05566
0.00000
15
0.00369
0.04757
0.00000
16
-0.00369
-0.04757
0.00000
17
0.03771
-0.09838
0.00000
18
-0.03772
0.09838
0.00000
19
0.01151
0.02494
0.00000
20
-0.01151
-0.02494
0.00000
21
0.01236
0.04698
0.00000
22
-0.01236
-0.04698
0.00000
23
0.05399
0.09221
0.00000
24
-0.05399
-0.09221
0.00000
25
-0.00139
-0.13554
0.00000
26
0.00139
0.13554
0.00000
27
-0.07814
0.05398
0.00000
28
0.07814
-0.05399
0.00000
29
-0.01139
0.06157
0.00000
30
0.01139
-0.06157
0.00000
31
0.09579
-0.05714
0.00000
32
-0.09579
0.05714
0.00000
33
0.02175
0.00225
0.00000
34
-0.02175
-0.00225
0.00000