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
0.00034
0.00002
0.00000
2
-0.00034
-0.00002
0.00000
3
-0.00070
0.00021
0.00000
4
-0.00009
-0.00015
0.00000
5
0.00009
0.00015
0.00000
6
0.00070
-0.00021
0.00000
7
0.00003
-0.00120
0.00000
8
0.00766
0.00175
0.00000
9
-0.00766
-0.00175
0.00000
10
-0.00003
0.00120
0.00000
11
0.00113
0.00139
0.00000
12
0.00642
0.00147
0.00000
13
-0.00641
-0.00147
0.00000
14
-0.00113
-0.00139
0.00000
15
0.00087
-0.00066
0.00000
16
-0.00087
0.00065
0.00000
17
0.02686
-0.03144
0.00000
18
-0.02688
0.03147
0.00000
19
-0.00277
-0.00046
0.00000
20
0.00277
0.00046
0.00000
21
0.03920
0.00834
0.00000
22
-0.03923
-0.00835
0.00000
23
-0.01078
0.00952
0.00000
24
0.01075
-0.00949
0.00000
25
-0.31335
0.35878
0.00000
26
0.31364
-0.35912
0.00000
27
0.00825
0.01424
0.00000
28
-0.00825
-0.01425
0.00000
29
0.07253
0.01479
0.00000
30
-0.07262
-0.01481
0.00000
31
0.08914
0.01753
0.00000
32
-0.08908
-0.01752
0.00000
33
-0.45209
-0.09622
0.00000
34
0.45252
0.09631
0.00000