Charge: 1
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+1
Electronic States
Energy
(eV)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
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
-0.02225
0.00000
0.00000
2
0.02225
0.00000
0.00000
3
0.00066
0.00000
0.00000
4
-0.01292
0.00000
0.00000
5
0.01292
0.00000
0.00000
6
-0.00066
0.00000
0.00000
7
0.03896
0.00000
0.00000
8
-0.08155
0.00000
0.00000
9
0.08155
0.00000
0.00000
10
-0.03896
0.00000
0.00000
11
0.01403
0.00000
0.00000
12
-0.06919
0.00000
0.00000
13
0.06919
0.00000
0.00000
14
-0.01403
0.00000
0.00000
15
-0.07741
0.00000
0.00000
16
0.07741
0.00000
0.00000
17
-0.02452
0.00000
0.00000
18
0.07565
0.00000
0.00000
19
-0.07565
0.00000
0.00000
20
0.02452
0.00000
0.00000
21
0.07570
0.00000
0.00000
22
-0.05668
0.00000
0.00000
23
0.05668
0.00000
0.00000
24
-0.07570
0.00000
0.00000
25
-0.01147
0.00000
0.00000
26
0.01147
0.00000
0.00000
27
-0.01668
0.00000
0.00000
28
0.01668
0.00000
0.00000
29
-0.02366
0.00000
0.00000
30
0.13313
0.00000
0.00000
31
-0.13313
0.00000
0.00000
32
0.02366
0.00000
0.00000
33
0.16476
0.00000
0.00000
34
-0.10129
0.00000
0.00000
35
0.10129
0.00000
0.00000
36
-0.16476
0.00000
0.00000
37
-0.03890
0.00000
0.00000
38
-0.12350
0.00000
0.00000
39
0.12350
0.00000
0.00000
40
0.03890
0.00000
0.00000
41
-0.03428
0.00000
0.00000
42
0.03428
0.00000
0.00000