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)
-0.17200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.07176
2
0.00000
0.00000
-0.07176
3
0.00000
0.00000
0.05947
4
0.00000
0.00000
-0.00820
5
0.00000
0.00000
-0.00820
6
0.00000
0.00000
0.05947
7
0.00000
0.00000
0.06268
8
0.00000
0.00000
-0.05035
9
0.00000
0.00000
-0.05035
10
0.00000
0.00000
0.06268
11
0.00000
0.00000
0.00732
12
0.00000
0.00000
0.09144
13
0.00000
0.00000
0.09144
14
0.00000
0.00000
0.00732
15
0.00000
0.00000
-0.09046
16
0.00000
0.00000
-0.09046
17
0.00000
0.00000
0.03763
18
0.00000
0.00000
0.03763
19
0.00000
0.00000
-0.02232
20
0.00000
0.00000
-0.02232
21
0.00000
0.00000
0.00693
22
0.00000
0.00000
0.00693
23
0.00000
0.00000
-0.16831
24
0.00000
0.00000
-0.16831
25
0.00000
0.00000
0.01437
26
0.00000
0.00000
0.01437
27
0.00000
0.00000
-0.09873
28
0.00000
0.00000
-0.09873
29
0.00000
0.00000
0.18749
30
0.00000
0.00000
0.18749
31
0.00000
0.00000
-0.11250
32
0.00000
0.00000
-0.11250
33
0.00000
0.00000
-0.08860
34
0.00000
0.00000
-0.08860