Charge: 1
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+1
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
-0.04705
-0.01636
0.00000
2
0.04705
0.01636
0.00000
3
0.00008
0.03336
0.00000
4
0.01634
0.07059
0.00000
5
-0.01634
-0.07059
0.00000
6
-0.00008
-0.03336
0.00000
7
0.01875
0.00261
0.00000
8
-0.03500
-0.02206
0.00000
9
0.03500
0.02206
0.00000
10
-0.01875
-0.00261
0.00000
11
0.06868
0.06493
0.00000
12
0.01717
0.01944
0.00000
13
-0.01716
-0.01945
0.00000
14
-0.06868
-0.06493
0.00000
15
-0.02207
0.03503
0.00000
16
0.02207
-0.03503
0.00000
17
0.00799
-0.02989
0.00000
18
-0.00799
0.02989
0.00000
19
-0.00402
-0.00580
0.00000
20
0.00402
0.00580
0.00000
21
-0.00324
-0.01527
0.00000
22
0.00323
0.01526
0.00000
23
-0.13975
-0.05918
0.00000
24
0.13975
0.05918
0.00000
25
-0.25095
-0.26685
0.00000
26
0.25096
0.26686
0.00000
27
0.05550
-0.02734
0.00000
28
-0.05551
0.02734
0.00000
29
-0.02456
-0.01046
0.00000
30
0.02456
0.01046
0.00000
31
-0.00307
0.23060
0.00000
32
0.00307
-0.23062
0.00000
33
-0.01566
0.03599
0.00000
34
0.01566
-0.03602
0.00000