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)
-0.12300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.03114
2
0.00000
0.00000
0.03114
3
0.00000
0.00000
0.01843
4
0.00000
0.00000
0.01813
5
0.00000
0.00000
0.01813
6
0.00000
0.00000
0.01843
7
0.00000
0.00000
0.06425
8
0.00000
0.00000
0.06444
9
0.00000
0.00000
0.06444
10
0.00000
0.00000
0.06425
11
0.00000
0.00000
-0.05112
12
0.00000
0.00000
-0.05293
13
0.00000
0.00000
-0.05293
14
0.00000
0.00000
-0.05112
15
0.00000
0.00000
-0.10075
16
0.00000
0.00000
-0.10075
17
0.00000
0.00000
-0.06465
18
0.00000
0.00000
-0.06465
19
0.00000
0.00000
0.00941
20
0.00000
0.00000
0.00941
21
0.00000
0.00000
0.07589
22
0.00000
0.00000
0.07589
23
0.00000
0.00000
-0.16630
24
0.00000
0.00000
-0.16630
25
0.00000
0.00000
-0.12766
26
0.00000
0.00000
-0.12766
27
0.00000
0.00000
0.00998
28
0.00000
0.00000
0.00998
29
0.00000
0.00000
-0.07506
30
0.00000
0.00000
-0.07506
31
0.00000
0.00000
0.08586
32
0.00000
0.00000
0.08586
33
0.00000
0.00000
0.12735
34
0.00000
0.00000
0.12735