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)
-0.15900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01095
2
0.00000
0.00000
0.01095
3
0.00000
0.00000
-0.00633
4
0.00000
0.00000
-0.01737
5
0.00000
0.00000
-0.01737
6
0.00000
0.00000
-0.00633
7
0.00000
0.00000
0.02051
8
0.00000
0.00000
-0.04993
9
0.00000
0.00000
-0.04993
10
0.00000
0.00000
0.02051
11
0.00000
0.00000
-0.01626
12
0.00000
0.00000
0.03954
13
0.00000
0.00000
0.03954
14
0.00000
0.00000
-0.01626
15
0.00000
0.00000
0.03843
16
0.00000
0.00000
0.03843
17
0.00000
0.00000
-0.03757
18
0.00000
0.00000
-0.03757
19
0.00000
0.00000
0.00212
20
0.00000
0.00000
0.00212
21
0.00000
0.00000
0.03188
22
0.00000
0.00000
0.03188
23
0.00000
0.00000
-0.26286
24
0.00000
0.00000
-0.26286
25
0.00000
0.00000
0.25289
26
0.00000
0.00000
0.25289
27
0.00000
0.00000
0.00136
28
0.00000
0.00000
0.00136
29
0.00000
0.00000
-0.26881
30
0.00000
0.00000
-0.26881
31
0.00000
0.00000
0.34238
32
0.00000
0.00000
0.34238
33
0.00000
0.00000
-0.25513
34
0.00000
0.00000
-0.25513