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)
-1074.10796
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)
0.00789 b
(cm-1)
0.00764 c
(cm-1)
0.00388
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)
-0.27400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00063
2
0.00000
0.00000
0.00063
3
0.00000
0.00000
-0.00348
4
0.00000
0.00000
-0.00348
5
0.00000
0.00000
-0.00348
6
0.00000
0.00000
-0.00348
7
0.00000
0.00000
-0.00095
8
0.00000
0.00000
-0.00095
9
0.00000
0.00000
-0.00095
10
0.00000
0.00000
-0.00095
11
0.00000
0.00000
-0.00786
12
0.00000
0.00000
-0.00786
13
0.00000
0.00000
-0.00786
14
0.00000
0.00000
-0.00786
15
0.00000
0.00000
0.01441
16
0.00000
0.00000
0.01441
17
0.00000
0.00000
0.04129
18
0.00000
0.00000
0.04129
19
0.00000
0.00000
0.04129
20
0.00000
0.00000
0.04129
21
0.00000
0.00000
-0.05649
22
0.00000
0.00000
-0.05649
23
0.00000
0.00000
-0.05649
24
0.00000
0.00000
-0.05649
25
0.00000
0.00000
0.02731
26
0.00000
0.00000
0.02731
27
0.00000
0.00000
0.02731
28
0.00000
0.00000
0.02731
29
0.00000
0.00000
-0.06129
30
0.00000
0.00000
-0.06130
31
0.00000
0.00000
-0.22743
32
0.00000
0.00000
-0.22743
33
0.00000
0.00000
-0.22743
34
0.00000
0.00000
-0.22743
35
0.00000
0.00000
0.32048
36
0.00000
0.00000
0.32049
37
0.00000
0.00000
0.32048
38
0.00000
0.00000
0.32049
39
0.00000
0.00000
-0.14979
40
0.00000
0.00000
-0.14980
41
0.00000
0.00000
-0.14979
42
0.00000
0.00000
-0.14980