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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00144
-0.00307
0.00000
2
-0.00144
0.00307
0.00000
3
-0.04114
0.01925
0.00000
4
-0.02801
0.04745
0.00000
5
0.02801
-0.04745
0.00000
6
0.04114
-0.01925
0.00000
7
-0.04927
0.02596
0.00000
8
-0.05515
0.04547
0.00000
9
0.05515
-0.04547
0.00000
10
0.04927
-0.02596
0.00000
11
-0.02869
0.02643
0.00000
12
-0.01568
0.06919
0.00000
13
0.01568
-0.06919
0.00000
14
0.02869
-0.02643
0.00000
15
-0.02809
-0.04449
0.00000
16
0.02809
0.04449
0.00000
17
0.06267
0.01450
0.00000
18
-0.06267
-0.01450
0.00000
19
0.08205
-0.00382
0.00000
20
-0.08205
0.00382
0.00000
21
0.04667
-0.01464
0.00000
22
-0.04667
0.01464
0.00000
23
-0.08277
-0.09502
0.00000
24
0.08277
0.09502
0.00000
25
0.10825
0.05457
0.00000
26
-0.10825
-0.05457
0.00000
27
0.08859
-0.00685
0.00000
28
-0.08859
0.00685
0.00000
29
0.02008
-0.09775
0.00000
30
-0.02008
0.09775
0.00000
31
0.05863
-0.06325
0.00000
32
-0.05863
0.06325
0.00000
33
0.06205
-0.09312
0.00000
34
-0.06205
0.09312
0.00000