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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00153
2
0.00000
0.00000
0.00153
3
0.00000
0.00000
0.00009
4
0.00000
0.00000
-0.00009
5
0.00000
0.00000
0.00009
6
0.00000
0.00000
-0.00009
7
0.00000
0.00000
0.01729
8
0.00000
0.00000
-0.01729
9
0.00000
0.00000
0.01729
10
0.00000
0.00000
-0.01729
11
0.00000
0.00000
-0.03799
12
0.00000
0.00000
0.03799
13
0.00000
0.00000
-0.03799
14
0.00000
0.00000
0.03799
15
0.00000
0.00000
0.07872
16
0.00000
0.00000
-0.07872
17
0.00000
0.00000
0.03437
18
0.00000
0.00000
-0.03437
19
0.00000
0.00000
0.03437
20
0.00000
0.00000
-0.03437
21
0.00000
0.00000
0.01736
22
0.00000
0.00000
-0.01736
23
0.00000
0.00000
0.01736
24
0.00000
0.00000
-0.01736
25
0.00000
0.00000
-0.04206
26
0.00000
0.00000
0.04206
27
0.00000
0.00000
-0.04206
28
0.00000
0.00000
0.04206
29
0.00000
0.00000
-0.37812
30
0.00000
0.00000
0.37812
31
0.00000
0.00000
-0.16812
32
0.00000
0.00000
0.16812
33
0.00000
0.00000
-0.16812
34
0.00000
0.00000
0.16812
35
0.00000
0.00000
-0.10654
36
0.00000
0.00000
0.10654
37
0.00000
0.00000
-0.10654
38
0.00000
0.00000
0.10654
39
0.00000
0.00000
0.20147
40
0.00000
0.00000
-0.20147
41
0.00000
0.00000
0.20147
42
0.00000
0.00000
-0.20147