Charge: -1
Inchi:1S/C28H14/c1-5-15-13-16-6-3-11-21-22-12-4-8-18-14-17-7-2-10-20-19(9-1)23(15)27(25(16)21)28(24(17)20)26(18)22/h1-14H/q-1
Electronic States
Energy
(eV)
-1073.55865
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.00795 b
(cm-1)
0.00762 c
(cm-1)
0.00389
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
-0.03860
0.00000
0.00000
2
0.03860
0.00000
0.00000
3
-0.04892
0.04437
0.00000
4
0.04892
0.04437
0.00000
5
-0.04892
-0.04437
0.00000
6
0.04892
-0.04437
0.00000
7
-0.01339
0.02595
0.00000
8
0.01339
0.02595
0.00000
9
-0.01339
-0.02595
0.00000
10
0.01339
-0.02595
0.00000
11
-0.01713
0.01837
0.00000
12
0.01713
0.01837
0.00000
13
-0.01714
-0.01837
0.00000
14
0.01714
-0.01837
0.00000
15
0.02230
0.00000
0.00000
16
-0.02230
0.00000
0.00000
17
0.07216
0.02115
0.00000
18
-0.07216
0.02115
0.00000
19
0.07216
-0.02115
0.00000
20
-0.07216
-0.02115
0.00000
21
0.00810
-0.03026
0.00000
22
-0.00809
-0.03026
0.00000
23
0.00809
0.03026
0.00000
24
-0.00809
0.03026
0.00000
25
-0.04715
-0.04757
0.00000
26
0.04715
-0.04757
0.00000
27
-0.04715
0.04757
0.00000
28
0.04715
0.04757
0.00000
29
0.02328
0.00000
0.00000
30
-0.02328
0.00000
0.00000
31
0.07730
0.12606
0.00000
32
-0.07730
0.12606
0.00000
33
0.07730
-0.12606
0.00000
34
-0.07730
-0.12605
0.00000
35
-0.02280
-0.05487
0.00000
36
0.02280
-0.05487
0.00000
37
-0.02280
0.05487
0.00000
38
0.02281
0.05487
0.00000
39
-0.08745
-0.02997
0.00000
40
0.08745
-0.02997
0.00000
41
-0.08745
0.02997
0.00000
42
0.08745
0.02997
0.00000