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
-0.05834
2
0.00000
0.00000
0.05834
3
0.00000
0.00000
-0.06329
4
0.00000
0.00000
-0.01405
5
0.00000
0.00000
0.01405
6
0.00000
0.00000
0.06329
7
0.00000
0.00000
0.05291
8
0.00000
0.00000
-0.03209
9
0.00000
0.00000
0.03209
10
0.00000
0.00000
-0.05291
11
0.00000
0.00000
0.00830
12
0.00000
0.00000
-0.01317
13
0.00000
0.00000
0.01317
14
0.00000
0.00000
-0.00830
15
0.00000
0.00000
-0.03312
16
0.00000
0.00000
0.03312
17
0.00000
0.00000
0.07765
18
0.00000
0.00000
-0.07765
19
0.00000
0.00000
-0.09658
20
0.00000
0.00000
0.09658
21
0.00000
0.00000
0.06422
22
0.00000
0.00000
-0.06422
23
0.00000
0.00000
-0.06463
24
0.00000
0.00000
0.06463
25
0.00000
0.00000
0.18721
26
0.00000
0.00000
-0.18721
27
0.00000
0.00000
-0.21578
28
0.00000
0.00000
0.21578
29
0.00000
0.00000
0.03114
30
0.00000
0.00000
-0.03114
31
0.00000
0.00000
0.09028
32
0.00000
0.00000
-0.09028
33
0.00000
0.00000
0.13095
34
0.00000
0.00000
-0.13095