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)
0.58600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02400
0.00000
2
0.00000
0.02400
0.00000
3
-0.00939
0.00315
0.00000
4
0.00939
0.00315
0.00000
5
0.00939
0.00315
0.00000
6
-0.00939
0.00315
0.00000
7
0.00199
-0.03057
0.00000
8
-0.00199
-0.03057
0.00000
9
-0.00199
-0.03057
0.00000
10
0.00199
-0.03057
0.00000
11
0.02611
-0.01021
0.00000
12
-0.02611
-0.01021
0.00000
13
-0.02611
-0.01021
0.00000
14
0.02611
-0.01021
0.00000
15
0.00000
0.00070
0.00000
16
0.00000
0.00070
0.00000
17
-0.05188
-0.03277
0.00000
18
0.05188
-0.03277
0.00000
19
0.05188
-0.03277
0.00000
20
-0.05188
-0.03277
0.00000
21
-0.02025
0.04093
0.00000
22
0.02025
0.04093
0.00000
23
0.02025
0.04093
0.00000
24
-0.02025
0.04093
0.00000
25
0.06133
0.03141
0.00000
26
-0.06133
0.03141
0.00000
27
-0.06133
0.03141
0.00000
28
0.06133
0.03141
0.00000
29
0.00000
0.08051
0.00000
30
0.00000
0.08051
0.00000
31
-0.05331
-0.25308
0.00000
32
0.05331
-0.25308
0.00000
33
0.05331
-0.25308
0.00000
34
-0.05331
-0.25308
0.00000
35
0.00294
0.05958
0.00000
36
-0.00294
0.05958
0.00000
37
-0.00294
0.05958
0.00000
38
0.00294
0.05958
0.00000
39
0.15081
-0.01693
0.00000
40
-0.15081
-0.01693
0.00000
41
-0.15081
-0.01693
0.00000
42
0.15081
-0.01693
0.00000