Charge: 2
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+2
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)
-0.08400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00176
2
0.00000
0.00000
-0.00176
3
0.00000
0.00000
0.00044
4
0.00000
0.00000
-0.01665
5
0.00000
0.00000
-0.01665
6
0.00000
0.00000
0.00044
7
0.00000
0.00000
-0.00996
8
0.00000
0.00000
0.02164
9
0.00000
0.00000
0.02164
10
0.00000
0.00000
-0.00996
11
0.00000
0.00000
0.01416
12
0.00000
0.00000
0.07202
13
0.00000
0.00000
0.07202
14
0.00000
0.00000
0.01416
15
0.00000
0.00000
-0.07190
16
0.00000
0.00000
-0.07190
17
0.00000
0.00000
-0.00082
18
0.00000
0.00000
-0.00082
19
0.00000
0.00000
-0.02512
20
0.00000
0.00000
-0.02512
21
0.00000
0.00000
0.02536
22
0.00000
0.00000
0.02536
23
0.00000
0.00000
0.38874
24
0.00000
0.00000
0.38874
25
0.00000
0.00000
-0.00267
26
0.00000
0.00000
-0.00267
27
0.00000
0.00000
0.13906
28
0.00000
0.00000
0.13906
29
0.00000
0.00000
-0.38516
30
0.00000
0.00000
-0.38516
31
0.00000
0.00000
-0.10136
32
0.00000
0.00000
-0.10136
33
0.00000
0.00000
-0.12674
34
0.00000
0.00000
-0.12674