Charge: 1
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+1
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
0.00000
0.09227
2
0.00000
0.00000
-0.09227
3
0.00000
0.00000
0.05709
4
0.00000
0.00000
0.06353
5
0.00000
0.00000
-0.06353
6
0.00000
0.00000
-0.05709
7
0.00000
0.00000
-0.06354
8
0.00000
0.00000
-0.00559
9
0.00000
0.00000
0.00559
10
0.00000
0.00000
0.06354
11
0.00000
0.00000
-0.04212
12
0.00000
0.00000
-0.00261
13
0.00000
0.00000
0.00261
14
0.00000
0.00000
0.04212
15
0.00000
0.00000
-0.01779
16
0.00000
0.00000
0.01779
17
0.00000
0.00000
0.02941
18
0.00000
0.00000
-0.02941
19
0.00000
0.00000
-0.06522
20
0.00000
0.00000
0.06522
21
0.00000
0.00000
0.02364
22
0.00000
0.00000
-0.02364
23
0.00000
0.00000
0.08963
24
0.00000
0.00000
-0.08963
25
0.00000
0.00000
0.22330
26
0.00000
0.00000
-0.22330
27
0.00000
0.00000
0.07414
28
0.00000
0.00000
-0.07414
29
0.00000
0.00000
0.13544
30
0.00000
0.00000
-0.13544
31
0.00000
0.00000
0.02651
32
0.00000
0.00000
-0.02651
33
0.00000
0.00000
0.29055
34
0.00000
0.00000
-0.29055