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
0.10207
-0.03920
0.00000
2
-0.10207
0.03920
0.00000
3
-0.01414
-0.03757
0.00000
4
0.05460
0.00536
0.00000
5
-0.05460
-0.00536
0.00000
6
0.01414
0.03757
0.00000
7
0.02725
0.05313
0.00000
8
-0.01002
-0.03307
0.00000
9
0.01002
0.03307
0.00000
10
-0.02725
-0.05313
0.00000
11
-0.05875
0.03353
0.00000
12
0.00666
0.02971
0.00000
13
-0.00666
-0.02971
0.00000
14
0.05875
-0.03353
0.00000
15
0.04213
0.02533
0.00000
16
-0.04213
-0.02533
0.00000
17
0.05562
0.01910
0.00000
18
-0.05562
-0.01910
0.00000
19
-0.03411
0.00307
0.00000
20
0.03411
-0.00307
0.00000
21
0.00387
-0.04616
0.00000
22
-0.00387
0.04616
0.00000
23
-0.00559
-0.01414
0.00000
24
0.00559
0.01414
0.00000
25
-0.15741
-0.17219
0.00000
26
0.15741
0.17219
0.00000
27
-0.02193
-0.00336
0.00000
28
0.02193
0.00336
0.00000
29
-0.00325
-0.05058
0.00000
30
0.00325
0.05058
0.00000
31
0.02738
-0.06388
0.00000
32
-0.02738
0.06388
0.00000
33
-0.02139
0.06401
0.00000
34
0.02139
-0.06401
0.00000