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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 c
(cm-1)
0.00590
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)
0.09800
Diff mu Y
(Debye)
0.48100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03148
0.00141
0.00000
2
0.03148
0.00141
0.00000
3
-0.03239
0.00433
0.00000
4
-0.04257
0.04995
0.00000
5
-0.04257
0.04995
0.00000
6
-0.03239
0.00433
0.00000
7
0.00673
-0.01760
0.00000
8
0.01281
-0.06541
0.00000
9
0.01281
-0.06541
0.00000
10
0.00673
-0.01760
0.00000
11
0.01603
-0.01878
0.00000
12
0.03287
0.02792
0.00000
13
0.03287
0.02792
0.00000
14
0.01603
-0.01878
0.00000
15
-0.04447
-0.05108
0.00000
16
-0.04447
-0.05108
0.00000
17
0.03738
0.04554
0.00000
18
0.03738
0.04554
0.00000
19
0.00229
-0.05137
0.00000
20
0.00229
-0.05137
0.00000
21
-0.02048
0.08629
0.00000
22
-0.02048
0.08629
0.00000
23
0.10482
0.06682
0.00000
24
0.10482
0.06682
0.00000
25
-0.11040
-0.08172
0.00000
26
-0.11040
-0.08172
0.00000
27
-0.03718
-0.04758
0.00000
28
-0.03718
-0.04758
0.00000
29
0.05402
-0.03682
0.00000
30
0.05402
-0.03682
0.00000
31
-0.03609
0.16706
0.00000
32
-0.03609
0.16706
0.00000
33
0.02858
-0.20104
0.00000
34
0.02858
-0.20104
0.00000