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)
-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)
0.41600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.05178
2
0.00000
0.00000
0.05178
3
0.00000
0.00000
-0.08356
4
0.00000
0.00000
-0.08356
5
0.00000
0.00000
-0.08356
6
0.00000
0.00000
-0.08356
7
0.00000
0.00000
0.03814
8
0.00000
0.00000
0.03814
9
0.00000
0.00000
0.03814
10
0.00000
0.00000
0.03814
11
0.00000
0.00000
0.06343
12
0.00000
0.00000
0.06343
13
0.00000
0.00000
0.06343
14
0.00000
0.00000
0.06343
15
0.00000
0.00000
0.00670
16
0.00000
0.00000
0.00670
17
0.00000
0.00000
-0.03147
18
0.00000
0.00000
-0.03147
19
0.00000
0.00000
-0.03147
20
0.00000
0.00000
-0.03147
21
0.00000
0.00000
0.00654
22
0.00000
0.00000
0.00654
23
0.00000
0.00000
0.00654
24
0.00000
0.00000
0.00654
25
0.00000
0.00000
-0.02766
26
0.00000
0.00000
-0.02766
27
0.00000
0.00000
-0.02766
28
0.00000
0.00000
-0.02766
29
0.00000
0.00000
-0.29259
30
0.00000
0.00000
-0.29259
31
0.00000
0.00000
0.05644
32
0.00000
0.00000
0.05644
33
0.00000
0.00000
0.05644
34
0.00000
0.00000
0.05644
35
0.00000
0.00000
0.12302
36
0.00000
0.00000
0.12302
37
0.00000
0.00000
0.12302
38
0.00000
0.00000
0.12302
39
0.00000
0.00000
0.03039
40
0.00000
0.00000
0.03039
41
0.00000
0.00000
0.03039
42
0.00000
0.00000
0.03039