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)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 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)
0.50200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.06317
2
0.00000
0.00000
-0.06317
3
0.00000
0.00000
-0.03276
4
0.00000
0.00000
0.11536
5
0.00000
0.00000
0.11537
6
0.00000
0.00000
-0.03276
7
0.00000
0.00000
0.08462
8
0.00000
0.00000
-0.02986
9
0.00000
0.00000
-0.02986
10
0.00000
0.00000
0.08462
11
0.00000
0.00000
-0.03229
12
0.00000
0.00000
-0.03064
13
0.00000
0.00000
-0.03064
14
0.00000
0.00000
-0.03229
15
0.00000
0.00000
0.04576
16
0.00000
0.00000
0.04576
17
0.00000
0.00000
-0.01875
18
0.00000
0.00000
-0.01875
19
0.00000
0.00000
0.02588
20
0.00000
0.00000
0.02588
21
0.00000
0.00000
-0.01913
22
0.00000
0.00000
-0.01913
23
0.00000
0.00000
0.00875
24
0.00000
0.00000
0.00875
25
0.00000
0.00000
0.00332
26
0.00000
0.00000
0.00333
27
0.00000
0.00000
0.01644
28
0.00000
0.00000
0.01644
29
0.00000
0.00000
-0.16719
30
0.00000
0.00000
-0.16719
31
0.00000
0.00000
-0.26649
32
0.00000
0.00000
-0.26649
33
0.00000
0.00000
-0.13081
34
0.00000
0.00000
-0.13081