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
-0.05934
-0.04581
0.00000
2
0.05934
0.04581
0.00000
3
-0.07974
-0.04901
0.00000
4
0.02662
-0.01529
0.00000
5
-0.02662
0.01529
0.00000
6
0.07974
0.04901
0.00000
7
-0.01087
-0.03059
0.00000
8
-0.01714
-0.05889
0.00000
9
0.01714
0.05889
0.00000
10
0.01087
0.03059
0.00000
11
-0.02698
0.00453
0.00000
12
-0.03737
0.00126
0.00000
13
0.03737
-0.00126
0.00000
14
0.02698
-0.00453
0.00000
15
0.03290
-0.03302
0.00000
16
-0.03290
0.03302
0.00000
17
-0.03582
0.02061
0.00000
18
0.03582
-0.02061
0.00000
19
-0.00576
0.02005
0.00000
20
0.00576
-0.02005
0.00000
21
0.09535
0.03286
0.00000
22
-0.09535
-0.03286
0.00000
23
-0.02086
-0.08262
0.00000
24
0.02086
0.08262
0.00000
25
-0.04678
0.01542
0.00000
26
0.04678
-0.01542
0.00000
27
-0.09725
0.05575
0.00000
28
0.09725
-0.05575
0.00000
29
0.02456
0.08420
0.00000
30
-0.02456
-0.08420
0.00000
31
0.00772
0.12128
0.00000
32
-0.00772
-0.12128
0.00000
33
0.09319
0.06989
0.00000
34
-0.09319
-0.06989
0.00000