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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04145
0.07607
0.00000
2
-0.04145
-0.07607
0.00000
3
-0.03681
-0.06463
0.00000
4
0.03011
0.06329
0.00000
5
-0.03011
-0.06329
0.00000
6
0.03681
0.06463
0.00000
7
0.02095
0.02629
0.00000
8
-0.00845
-0.03730
0.00000
9
0.00845
0.03730
0.00000
10
-0.02095
-0.02629
0.00000
11
0.02822
0.04567
0.00000
12
-0.01620
-0.08303
0.00000
13
0.01620
0.08303
0.00000
14
-0.02822
-0.04567
0.00000
15
-0.04497
-0.07214
0.00000
16
0.04497
0.07214
0.00000
17
-0.01745
-0.01920
0.00000
18
0.01745
0.01920
0.00000
19
0.00820
0.00508
0.00000
20
-0.00820
-0.00508
0.00000
21
-0.00246
-0.00827
0.00000
22
0.00246
0.00827
0.00000
23
0.10533
0.04563
0.00000
24
-0.10533
-0.04563
0.00000
25
0.03058
0.01854
0.00000
26
-0.03058
-0.01854
0.00000
27
0.00500
0.00593
0.00000
28
-0.00500
-0.00593
0.00000
29
0.05870
-0.11704
0.00000
30
-0.05870
0.11704
0.00000
31
0.02828
-0.05874
0.00000
32
-0.02828
0.05874
0.00000
33
-0.00571
0.00212
0.00000
34
0.00571
-0.00212
0.00000