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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 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
0.00857
-0.01704
0.00000
2
-0.00857
0.01704
0.00000
3
-0.01307
-0.00316
0.00000
4
-0.02081
0.05366
0.00000
5
0.02082
-0.05366
0.00000
6
0.01307
0.00316
0.00000
7
0.00716
0.07810
0.00000
8
0.00290
-0.01052
0.00000
9
-0.00290
0.01052
0.00000
10
-0.00716
-0.07810
0.00000
11
-0.04528
-0.04568
0.00000
12
0.00825
-0.02970
0.00000
13
-0.00825
0.02970
0.00000
14
0.04529
0.04569
0.00000
15
0.00427
-0.01595
0.00000
16
-0.00427
0.01595
0.00000
17
0.00387
0.01404
0.00000
18
-0.00387
-0.01404
0.00000
19
-0.00477
0.00313
0.00000
20
0.00477
-0.00313
0.00000
21
-0.01803
-0.02231
0.00000
22
0.01803
0.02231
0.00000
23
0.04138
0.01307
0.00000
24
-0.04138
-0.01307
0.00000
25
0.07184
0.07606
0.00000
26
-0.07184
-0.07606
0.00000
27
0.07286
-0.02255
0.00000
28
-0.07289
0.02256
0.00000
29
-0.06560
0.30474
0.00000
30
0.06560
-0.30478
0.00000
31
-0.08116
0.38581
0.00000
32
0.08117
-0.38582
0.00000
33
0.00851
-0.16629
0.00000
34
-0.00850
0.16626
0.00000