Charge: 0
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
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
-0.00123
0.04856
0.00000
2
0.00122
-0.04857
0.00000
3
-0.03604
0.00682
0.00000
4
-0.01699
0.02622
0.00000
5
0.01700
-0.02621
0.00000
6
0.03604
-0.00682
0.00000
7
-0.00346
-0.02847
0.00000
8
0.00734
-0.01227
0.00000
9
-0.00734
0.01227
0.00000
10
0.00346
0.02847
0.00000
11
0.04547
-0.02211
0.00000
12
0.02049
0.01870
0.00000
13
-0.02049
-0.01870
0.00000
14
-0.04547
0.02211
0.00000
15
0.01552
0.04143
0.00000
16
-0.01552
-0.04142
0.00000
17
-0.01039
-0.03614
0.00000
18
0.01039
0.03615
0.00000
19
-0.07952
0.03216
0.00000
20
0.07952
-0.03216
0.00000
21
0.03327
0.02589
0.00000
22
-0.03327
-0.02589
0.00000
23
-0.14949
-0.10096
0.00000
24
0.14949
0.10097
0.00000
25
0.20834
0.15042
0.00000
26
-0.20836
-0.15043
0.00000
27
0.33223
-0.10148
0.00000
28
-0.33223
0.10148
0.00000
29
-0.03066
0.00526
0.00000
30
0.03065
-0.00524
0.00000
31
0.00610
-0.05080
0.00000
32
-0.00610
0.05081
0.00000
33
0.07004
-0.10904
0.00000
34
-0.07004
0.10905
0.00000