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)
2.12500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02356
0.00000
0.00000
2
-0.02356
0.00000
0.00000
3
0.06128
0.00988
0.00000
4
0.06128
-0.00988
0.00000
5
0.06129
-0.00988
0.00000
6
0.06129
0.00988
0.00000
7
-0.03718
-0.00454
0.00000
8
-0.03718
0.00454
0.00000
9
-0.03718
0.00454
0.00000
10
-0.03718
-0.00454
0.00000
11
-0.05570
0.01281
0.00000
12
-0.05570
-0.01281
0.00000
13
-0.05570
-0.01282
0.00000
14
-0.05570
0.01282
0.00000
15
0.01720
0.00000
0.00000
16
0.01720
0.00000
0.00000
17
0.02819
-0.01225
0.00000
18
0.02819
0.01225
0.00000
19
0.02820
0.01226
0.00000
20
0.02820
-0.01226
0.00000
21
-0.06267
-0.00980
0.00000
22
-0.06267
0.00980
0.00000
23
-0.06268
0.00980
0.00000
24
-0.06268
-0.00980
0.00000
25
0.06758
-0.01458
0.00000
26
0.06758
0.01458
0.00000
27
0.06759
0.01458
0.00000
28
0.06759
-0.01458
0.00000
29
0.01760
-0.00001
0.00000
30
0.01760
0.00001
0.00000
31
0.03117
0.03578
0.00000
32
0.03117
-0.03578
0.00000
33
0.03117
-0.03579
0.00000
34
0.03117
0.03579
0.00000
35
0.06918
0.07157
0.00000
36
0.06918
-0.07157
0.00000
37
0.06919
-0.07158
0.00000
38
0.06919
0.07158
0.00000
39
-0.08921
0.07178
0.00000
40
-0.08921
-0.07178
0.00000
41
-0.08922
-0.07179
0.00000
42
-0.08922
0.07179
0.00000