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)
-0.09500
Diff mu Y
(Debye)
-0.43200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00857
0.02073
0.00000
2
0.00857
0.02072
0.00000
3
-0.02865
0.00125
0.00000
4
0.02183
0.00494
0.00000
5
0.02183
0.00494
0.00000
6
-0.02865
0.00125
0.00000
7
-0.03070
-0.04194
0.00000
8
0.01456
-0.01398
0.00000
9
0.01456
-0.01398
0.00000
10
-0.03070
-0.04194
0.00000
11
-0.00890
-0.02554
0.00000
12
-0.01333
0.01176
0.00000
13
-0.01333
0.01176
0.00000
14
-0.00890
-0.02555
0.00000
15
0.01509
0.00201
0.00000
16
0.01509
0.00202
0.00000
17
-0.07480
0.01062
0.00000
18
-0.07480
0.01062
0.00000
19
0.00849
0.06933
0.00000
20
0.00849
0.06933
0.00000
21
0.09457
-0.02854
0.00000
22
0.09457
-0.02854
0.00000
23
0.08046
0.05890
0.00000
24
0.08046
0.05890
0.00000
25
-0.23353
-0.12192
0.00000
26
-0.23353
-0.12192
0.00000
27
-0.06035
0.10142
0.00000
28
-0.06034
0.10142
0.00000
29
-0.01734
0.02834
0.00000
30
-0.01734
0.02833
0.00000
31
0.00118
0.05225
0.00000
32
0.00118
0.05225
0.00000
33
0.14960
-0.24576
0.00000
34
0.14960
-0.24576
0.00000