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)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 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)
0.04300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00377
2
0.00000
0.00000
0.00377
3
0.00000
0.00000
-0.04291
4
0.00000
0.00000
0.06577
5
0.00000
0.00000
0.06577
6
0.00000
0.00000
-0.04291
7
0.00000
0.00000
-0.03806
8
0.00000
0.00000
0.07388
9
0.00000
0.00000
0.07388
10
0.00000
0.00000
-0.03806
11
0.00000
0.00000
-0.03423
12
0.00000
0.00000
0.01716
13
0.00000
0.00000
0.01716
14
0.00000
0.00000
-0.03423
15
0.00000
0.00000
-0.07437
16
0.00000
0.00000
-0.07437
17
0.00000
0.00000
0.07695
18
0.00000
0.00000
0.07695
19
0.00000
0.00000
0.02866
20
0.00000
0.00000
0.02866
21
0.00000
0.00000
-0.08489
22
0.00000
0.00000
-0.08489
23
0.00000
0.00000
-0.14424
24
0.00000
0.00000
-0.14424
25
0.00000
0.00000
0.17020
26
0.00000
0.00000
0.17020
27
0.00000
0.00000
0.07298
28
0.00000
0.00000
0.07299
29
0.00000
0.00000
0.01502
30
0.00000
0.00000
0.01502
31
0.00000
0.00000
0.12539
32
0.00000
0.00000
0.12538
33
0.00000
0.00000
-0.14083
34
0.00000
0.00000
-0.14083