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)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 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)
0.09700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.05301
2
0.00000
0.00000
0.05301
3
0.00000
0.00000
0.02349
4
0.00000
0.00000
0.05911
5
0.00000
0.00000
0.05911
6
0.00000
0.00000
0.02349
7
0.00000
0.00000
0.00022
8
0.00000
0.00000
0.03540
9
0.00000
0.00000
0.03540
10
0.00000
0.00000
0.00023
11
0.00000
0.00000
-0.00299
12
0.00000
0.00000
0.06825
13
0.00000
0.00000
0.06825
14
0.00000
0.00000
-0.00299
15
0.00000
0.00000
0.03598
16
0.00000
0.00000
0.03598
17
0.00000
0.00000
-0.07338
18
0.00000
0.00000
-0.07338
19
0.00000
0.00000
-0.11157
20
0.00000
0.00000
-0.11157
21
0.00000
0.00000
-0.06959
22
0.00000
0.00000
-0.06959
23
0.00000
0.00000
0.03290
24
0.00000
0.00000
0.03290
25
0.00000
0.00000
-0.10071
26
0.00000
0.00000
-0.10071
27
0.00000
0.00000
-0.17135
28
0.00000
0.00000
-0.17135
29
0.00000
0.00000
0.09070
30
0.00000
0.00000
0.09070
31
0.00000
0.00000
0.02936
32
0.00000
0.00000
0.02935
33
0.00000
0.00000
-0.09440
34
0.00000
0.00000
-0.09440