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)
-1073.55865
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)
3.07400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01730
0.00000
0.00000
2
0.01730
0.00000
0.00000
3
-0.04644
-0.03031
0.00000
4
-0.04645
0.03031
0.00000
5
-0.04644
0.03031
0.00000
6
-0.04644
-0.03031
0.00000
7
-0.00356
0.06502
0.00000
8
-0.00356
-0.06502
0.00000
9
-0.00356
-0.06502
0.00000
10
-0.00356
0.06502
0.00000
11
0.04931
-0.01933
0.00000
12
0.04931
0.01933
0.00000
13
0.04931
0.01933
0.00000
14
0.04931
-0.01933
0.00000
15
-0.01828
0.00000
0.00000
16
-0.01828
0.00000
0.00000
17
0.00024
0.05756
0.00000
18
0.00024
-0.05756
0.00000
19
0.00024
-0.05756
0.00000
20
0.00024
0.05756
0.00000
21
-0.04670
-0.02755
0.00000
22
-0.04670
0.02755
0.00000
23
-0.04670
0.02755
0.00000
24
-0.04670
-0.02755
0.00000
25
0.05241
-0.03092
0.00000
26
0.05241
0.03092
0.00000
27
0.05241
0.03092
0.00000
28
0.05241
-0.03092
0.00000
29
-0.01831
0.00000
0.00000
30
-0.01831
0.00000
0.00000
31
0.00307
-0.05328
0.00000
32
0.00307
0.05328
0.00000
33
0.00307
0.05329
0.00000
34
0.00307
-0.05328
0.00000
35
-0.00896
-0.00584
0.00000
36
-0.00897
0.00584
0.00000
37
-0.00896
0.00584
0.00000
38
-0.00896
-0.00584
0.00000
39
-0.04176
0.01868
0.00000
40
-0.04176
-0.01868
0.00000
41
-0.04176
-0.01868
0.00000
42
-0.04176
0.01868
0.00000