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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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)
-0.01400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02337
2
0.00000
0.00000
0.02337
3
0.00000
0.00000
0.04752
4
0.00000
0.00000
-0.04639
5
0.00000
0.00000
-0.04639
6
0.00000
0.00000
0.04752
7
0.00000
0.00000
0.02105
8
0.00000
0.00000
-0.10218
9
0.00000
0.00000
-0.10218
10
0.00000
0.00000
0.02105
11
0.00000
0.00000
0.02652
12
0.00000
0.00000
-0.00228
13
0.00000
0.00000
-0.00228
14
0.00000
0.00000
0.02652
15
0.00000
0.00000
0.05944
16
0.00000
0.00000
0.05944
17
0.00000
0.00000
-0.08010
18
0.00000
0.00000
-0.08010
19
0.00000
0.00000
-0.01687
20
0.00000
0.00000
-0.01687
21
0.00000
0.00000
0.08474
22
0.00000
0.00000
0.08474
23
0.00000
0.00000
0.09809
24
0.00000
0.00000
0.09809
25
0.00000
0.00000
-0.17794
26
0.00000
0.00000
-0.17794
27
0.00000
0.00000
-0.05072
28
0.00000
0.00000
-0.05072
29
0.00000
0.00000
-0.00284
30
0.00000
0.00000
-0.00284
31
0.00000
0.00000
-0.17479
32
0.00000
0.00000
-0.17479
33
0.00000
0.00000
0.13159
34
0.00000
0.00000
0.13159