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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03998
0.06386
0.00000
2
-0.03998
-0.06386
0.00000
3
-0.03067
-0.05416
0.00000
4
0.02998
0.06387
0.00000
5
-0.02998
-0.06387
0.00000
6
0.03067
0.05416
0.00000
7
0.01998
0.01718
0.00000
8
-0.01084
-0.03291
0.00000
9
0.01084
0.03291
0.00000
10
-0.01998
-0.01718
0.00000
11
0.03087
0.04541
0.00000
12
-0.01761
-0.09293
0.00000
13
0.01761
0.09293
0.00000
14
-0.03087
-0.04541
0.00000
15
-0.05293
-0.08388
0.00000
16
0.05293
0.08388
0.00000
17
-0.01400
-0.01542
0.00000
18
0.01400
0.01542
0.00000
19
0.00851
0.00054
0.00000
20
-0.00851
-0.00054
0.00000
21
-0.00361
-0.00058
0.00000
22
0.00361
0.00058
0.00000
23
0.11330
0.05610
0.00000
24
-0.11330
-0.05610
0.00000
25
0.01943
0.01188
0.00000
26
-0.01943
-0.01188
0.00000
27
0.00102
0.00203
0.00000
28
-0.00102
-0.00203
0.00000
29
0.06421
-0.10633
0.00000
30
-0.06421
0.10633
0.00000
31
0.02867
-0.04509
0.00000
32
-0.02867
0.04509
0.00000
33
-0.00391
-0.00080
0.00000
34
0.00391
0.00080
0.00000