Charge: -1
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/q-1
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)
-0.68600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00144
2
0.00000
0.00000
-0.00144
3
0.00000
0.00000
0.00066
4
0.00000
0.00000
0.00066
5
0.00000
0.00000
0.00066
6
0.00000
0.00000
0.00066
7
0.00000
0.00000
0.00802
8
0.00000
0.00000
0.00802
9
0.00000
0.00000
0.00802
10
0.00000
0.00000
0.00802
11
0.00000
0.00000
-0.03771
12
0.00000
0.00000
-0.03771
13
0.00000
0.00000
-0.03771
14
0.00000
0.00000
-0.03771
15
0.00000
0.00000
0.07639
16
0.00000
0.00000
0.07639
17
0.00000
0.00000
0.03991
18
0.00000
0.00000
0.03991
19
0.00000
0.00000
0.03991
20
0.00000
0.00000
0.03991
21
0.00000
0.00000
0.01152
22
0.00000
0.00000
0.01152
23
0.00000
0.00000
0.01152
24
0.00000
0.00000
0.01152
25
0.00000
0.00000
-0.03916
26
0.00000
0.00000
-0.03916
27
0.00000
0.00000
-0.03916
28
0.00000
0.00000
-0.03916
29
0.00000
0.00000
-0.36730
30
0.00000
0.00000
-0.36730
31
0.00000
0.00000
-0.19371
32
0.00000
0.00000
-0.19371
33
0.00000
0.00000
-0.19371
34
0.00000
0.00000
-0.19371
35
0.00000
0.00000
-0.08172
36
0.00000
0.00000
-0.08172
37
0.00000
0.00000
-0.08172
38
0.00000
0.00000
-0.08172
39
0.00000
0.00000
0.21245
40
0.00000
0.00000
0.21245
41
0.00000
0.00000
0.21245
42
0.00000
0.00000
0.21245