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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 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)
1.26100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00672
2
0.00000
0.00000
0.00672
3
0.00000
0.00000
-0.02408
4
0.00000
0.00000
0.00875
5
0.00000
0.00000
0.00875
6
0.00000
0.00000
-0.02408
7
0.00000
0.00000
0.01509
8
0.00000
0.00000
0.03282
9
0.00000
0.00000
0.03282
10
0.00000
0.00000
0.01509
11
0.00000
0.00000
0.06108
12
0.00000
0.00000
-0.05055
13
0.00000
0.00000
-0.05055
14
0.00000
0.00000
0.06108
15
0.00000
0.00000
-0.04977
16
0.00000
0.00000
-0.04977
17
0.00000
0.00000
-0.01957
18
0.00000
0.00000
-0.01957
19
0.00000
0.00000
-0.00802
20
0.00000
0.00000
-0.00802
21
0.00000
0.00000
-0.04047
22
0.00000
0.00000
-0.04047
23
0.00000
0.00000
0.27504
24
0.00000
0.00000
0.27504
25
0.00000
0.00000
0.00062
26
0.00000
0.00000
0.00061
27
0.00000
0.00000
0.19452
28
0.00000
0.00000
0.19452
29
0.00000
0.00000
0.37830
30
0.00000
0.00000
0.37829
31
0.00000
0.00000
-0.22637
32
0.00000
0.00000
-0.22637
33
0.00000
0.00000
0.18764
34
0.00000
0.00000
0.18763