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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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)
-0.24600
Diff mu Y
(Debye)
0.24200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01285
-0.05142
0.00000
2
0.01285
-0.05142
0.00000
3
-0.02600
-0.03026
0.00000
4
0.02256
-0.02728
0.00000
5
0.02256
-0.02728
0.00000
6
-0.02600
-0.03026
0.00000
7
-0.06499
-0.02460
0.00000
8
-0.04723
-0.00756
0.00000
9
-0.04723
-0.00756
0.00000
10
-0.06499
-0.02460
0.00000
11
0.04038
0.02696
0.00000
12
0.08849
0.02215
0.00000
13
0.08849
0.02215
0.00000
14
0.04038
0.02696
0.00000
15
0.07167
0.02267
0.00000
16
0.07167
0.02267
0.00000
17
-0.00721
0.04894
0.00000
18
-0.00721
0.04894
0.00000
19
-0.01529
0.03446
0.00000
20
-0.01529
0.03446
0.00000
21
-0.07646
-0.02126
0.00000
22
-0.07646
-0.02126
0.00000
23
0.05536
0.00799
0.00000
24
0.05536
0.00799
0.00000
25
-0.03656
0.02210
0.00000
26
-0.03656
0.02210
0.00000
27
0.03949
0.01558
0.00000
28
0.03949
0.01558
0.00000
29
0.08256
0.05142
0.00000
30
0.08256
0.05142
0.00000
31
-0.05683
0.04032
0.00000
32
-0.05683
0.04032
0.00000
33
-0.06947
-0.05172
0.00000
34
-0.06947
-0.05172
0.00000