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
0.00776
2
0.00000
0.00000
-0.00776
3
0.00000
0.00000
-0.01853
4
0.00000
0.00000
-0.06015
5
0.00000
0.00000
0.06015
6
0.00000
0.00000
0.01853
7
0.00000
0.00000
0.01687
8
0.00000
0.00000
-0.03197
9
0.00000
0.00000
0.03197
10
0.00000
0.00000
-0.01687
11
0.00000
0.00000
-0.06459
12
0.00000
0.00000
-0.07770
13
0.00000
0.00000
0.07770
14
0.00000
0.00000
0.06459
15
0.00000
0.00000
-0.02029
16
0.00000
0.00000
0.02029
17
0.00000
0.00000
-0.08681
18
0.00000
0.00000
0.08681
19
0.00000
0.00000
0.03452
20
0.00000
0.00000
-0.03452
21
0.00000
0.00000
0.09813
22
0.00000
0.00000
-0.09813
23
0.00000
0.00000
-0.04021
24
0.00000
0.00000
0.04021
25
0.00000
0.00000
-0.15761
26
0.00000
0.00000
0.15761
27
0.00000
0.00000
0.07209
28
0.00000
0.00000
-0.07209
29
0.00000
0.00000
0.13993
30
0.00000
0.00000
-0.13993
31
0.00000
0.00000
0.03533
32
0.00000
0.00000
-0.03533
33
0.00000
0.00000
0.18750
34
0.00000
0.00000
-0.18750