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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00115
2
0.00000
0.00000
0.00115
3
0.00000
0.00000
-0.00149
4
0.00000
0.00000
-0.02662
5
0.00000
0.00000
0.02662
6
0.00000
0.00000
0.00149
7
0.00000
0.00000
-0.03902
8
0.00000
0.00000
0.05933
9
0.00000
0.00000
-0.05933
10
0.00000
0.00000
0.03902
11
0.00000
0.00000
0.02922
12
0.00000
0.00000
0.01813
13
0.00000
0.00000
-0.01813
14
0.00000
0.00000
-0.02922
15
0.00000
0.00000
-0.01600
16
0.00000
0.00000
0.01600
17
0.00000
0.00000
-0.06362
18
0.00000
0.00000
0.06362
19
0.00000
0.00000
0.00246
20
0.00000
0.00000
-0.00246
21
0.00000
0.00000
0.06455
22
0.00000
0.00000
-0.06455
23
0.00000
0.00000
0.07506
24
0.00000
0.00000
-0.07506
25
0.00000
0.00000
0.33373
26
0.00000
0.00000
-0.33373
27
0.00000
0.00000
-0.01834
28
0.00000
0.00000
0.01834
29
0.00000
0.00000
0.09224
30
0.00000
0.00000
-0.09224
31
0.00000
0.00000
0.28093
32
0.00000
0.00000
-0.28093
33
0.00000
0.00000
-0.32836
34
0.00000
0.00000
0.32836