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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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
0.00020
0.00000
2
0.00000
-0.00020
0.00000
3
-0.00009
0.00039
0.00000
4
-0.00030
0.00030
0.00000
5
0.00030
-0.00030
0.00000
6
0.00009
-0.00039
0.00000
7
-0.00021
-0.00046
0.00000
8
0.00599
0.00137
0.00000
9
-0.00599
-0.00137
0.00000
10
0.00021
0.00046
0.00000
11
-0.00056
-0.00023
0.00000
12
0.01436
0.00343
0.00000
13
-0.01436
-0.00343
0.00000
14
0.00056
0.00023
0.00000
15
-0.01223
0.01562
0.00000
16
0.01223
-0.01562
0.00000
17
-0.02412
0.02495
0.00000
18
0.02412
-0.02495
0.00000
19
0.00998
0.03122
0.00000
20
-0.00998
-0.03122
0.00000
21
0.02539
0.00424
0.00000
22
-0.02539
-0.00424
0.00000
23
0.15022
-0.16858
0.00000
24
-0.15022
0.16858
0.00000
25
0.26467
-0.29578
0.00000
26
-0.26467
0.29578
0.00000
27
-0.11342
-0.34541
0.00000
28
0.11342
0.34541
0.00000
29
0.15788
0.03684
0.00000
30
-0.15788
-0.03684
0.00000
31
0.06237
0.01399
0.00000
32
-0.06237
-0.01399
0.00000
33
-0.28092
-0.05801
0.00000
34
0.28092
0.05801
0.00000