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
0.02332
-0.04313
0.00000
2
-0.02332
0.04313
0.00000
3
0.07661
0.01241
0.00000
4
0.05060
0.02421
0.00000
5
-0.05060
-0.02421
0.00000
6
-0.07661
-0.01241
0.00000
7
-0.08387
-0.01718
0.00000
8
0.01087
-0.04589
0.00000
9
-0.01087
0.04589
0.00000
10
0.08387
0.01718
0.00000
11
-0.01641
0.05063
0.00000
12
-0.00848
0.01318
0.00000
13
0.00848
-0.01318
0.00000
14
0.01641
-0.05063
0.00000
15
0.00723
0.00547
0.00000
16
-0.00723
-0.00547
0.00000
17
-0.05403
-0.04563
0.00000
18
0.05403
0.04563
0.00000
19
0.05386
-0.02245
0.00000
20
-0.05386
0.02245
0.00000
21
-0.01261
0.07155
0.00000
22
0.01261
-0.07155
0.00000
23
0.07435
0.06421
0.00000
24
-0.07435
-0.06421
0.00000
25
0.06624
0.05879
0.00000
26
-0.06624
-0.05879
0.00000
27
0.05028
-0.02135
0.00000
28
-0.05028
0.02135
0.00000
29
0.02324
-0.09663
0.00000
30
-0.02324
0.09663
0.00000
31
-0.01858
0.09465
0.00000
32
0.01858
-0.09465
0.00000
33
0.01080
-0.06504
0.00000
34
-0.01080
0.06504
0.00000