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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05809
-0.03969
0.00000
2
0.05809
0.03970
0.00000
3
-0.07984
-0.04582
0.00000
4
0.03107
-0.03161
0.00000
5
-0.03107
0.03161
0.00000
6
0.07984
0.04582
0.00000
7
-0.01298
-0.02901
0.00000
8
-0.00575
-0.05929
0.00000
9
0.00575
0.05929
0.00000
10
0.01298
0.02901
0.00000
11
-0.02945
0.00533
0.00000
12
-0.03194
0.00368
0.00000
13
0.03193
-0.00368
0.00000
14
0.02945
-0.00533
0.00000
15
0.04304
-0.03593
0.00000
16
-0.04304
0.03593
0.00000
17
-0.04163
0.01754
0.00000
18
0.04163
-0.01754
0.00000
19
-0.00236
0.02351
0.00000
20
0.00236
-0.02351
0.00000
21
0.09347
0.03568
0.00000
22
-0.09347
-0.03568
0.00000
23
-0.00834
-0.08529
0.00000
24
0.00834
0.08529
0.00000
25
-0.05765
0.00729
0.00000
26
0.05765
-0.00730
0.00000
27
-0.10711
0.06268
0.00000
28
0.10711
-0.06268
0.00000
29
0.02413
0.05162
0.00000
30
-0.02413
-0.05162
0.00000
31
-0.00002
0.08783
0.00000
32
0.00001
-0.08783
0.00000
33
0.10014
0.03131
0.00000
34
-0.10014
-0.03131
0.00000