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)
-0.02000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00041
2
0.00000
0.00000
-0.00041
3
0.00000
0.00000
0.00197
4
0.00000
0.00000
0.00155
5
0.00000
0.00000
0.00155
6
0.00000
0.00000
0.00197
7
0.00000
0.00000
0.00957
8
0.00000
0.00000
-0.00918
9
0.00000
0.00000
-0.00917
10
0.00000
0.00000
0.00957
11
0.00000
0.00000
0.01442
12
0.00000
0.00000
0.00943
13
0.00000
0.00000
0.00944
14
0.00000
0.00000
0.01442
15
0.00000
0.00000
-0.01712
16
0.00000
0.00000
-0.01711
17
0.00000
0.00000
-0.06176
18
0.00000
0.00000
-0.06174
19
0.00000
0.00000
0.08474
20
0.00000
0.00000
0.08472
21
0.00000
0.00000
-0.04885
22
0.00000
0.00000
-0.04883
23
0.00000
0.00000
0.08384
24
0.00000
0.00000
0.08380
25
0.00000
0.00000
0.29544
26
0.00000
0.00000
0.29535
27
0.00000
0.00000
-0.42086
28
0.00000
0.00000
-0.42073
29
0.00000
0.00000
-0.04490
30
0.00000
0.00000
-0.04487
31
0.00000
0.00000
0.04343
32
0.00000
0.00000
0.04345
33
0.00000
0.00000
0.22891
34
0.00000
0.00000
0.22884