Charge: 0
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
Electronic States
Energy
(eV)
-1073.90161
Description
D0
Multiplicity
2
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)
0.00793 b
(cm-1)
0.00763 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
0.04074
0.00000
0.00000
2
-0.04074
0.00000
0.00000
3
0.08069
0.02090
0.00000
4
-0.08069
0.02090
0.00000
5
0.08069
-0.02090
0.00000
6
-0.08069
-0.02090
0.00000
7
0.04143
0.03912
0.00000
8
-0.04143
0.03912
0.00000
9
0.04143
-0.03912
0.00000
10
-0.04143
-0.03912
0.00000
11
0.01169
0.00211
0.00000
12
-0.01169
0.00211
0.00000
13
0.01169
-0.00211
0.00000
14
-0.01169
-0.00211
0.00000
15
-0.08728
0.00000
0.00000
16
0.08728
0.00000
0.00000
17
-0.01767
0.01955
0.00000
18
0.01767
0.01955
0.00000
19
-0.01767
-0.01955
0.00000
20
0.01767
-0.01955
0.00000
21
0.01143
-0.00683
0.00000
22
-0.01143
-0.00683
0.00000
23
0.01143
0.00683
0.00000
24
-0.01143
0.00683
0.00000
25
-0.01682
-0.04606
0.00000
26
0.01682
-0.04606
0.00000
27
-0.01682
0.04606
0.00000
28
0.01682
0.04606
0.00000
29
-0.08863
0.00000
0.00000
30
0.08863
0.00000
0.00000
31
-0.01598
0.06150
0.00000
32
0.01598
0.06150
0.00000
33
-0.01598
-0.06150
0.00000
34
0.01598
-0.06150
0.00000
35
0.12726
0.05937
0.00000
36
-0.12726
0.05937
0.00000
37
0.12726
-0.05937
0.00000
38
-0.12726
-0.05937
0.00000
39
-0.04833
-0.02713
0.00000
40
0.04833
-0.02713
0.00000
41
-0.04833
0.02713
0.00000
42
0.04833
0.02713
0.00000