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)
-1073.90161
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)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00242
0.00000
0.00000
2
0.00242
0.00000
0.00000
3
0.02460
0.03531
0.00000
4
-0.02460
0.03531
0.00000
5
0.02460
-0.03531
0.00000
6
-0.02460
-0.03531
0.00000
7
0.03111
-0.01452
0.00000
8
-0.03111
-0.01452
0.00000
9
0.03111
0.01452
0.00000
10
-0.03111
0.01452
0.00000
11
-0.00177
0.02963
0.00000
12
0.00177
0.02963
0.00000
13
-0.00177
-0.02963
0.00000
14
0.00177
-0.02963
0.00000
15
-0.02636
0.00000
0.00000
16
0.02636
0.00000
0.00000
17
0.00470
0.00614
0.00000
18
-0.00470
0.00614
0.00000
19
0.00470
-0.00614
0.00000
20
-0.00470
-0.00614
0.00000
21
-0.03329
-0.00489
0.00000
22
0.03329
-0.00489
0.00000
23
-0.03329
0.00489
0.00000
24
0.03329
0.00489
0.00000
25
0.03829
-0.01003
0.00000
26
-0.03829
-0.01003
0.00000
27
0.03829
0.01003
0.00000
28
-0.03829
0.01003
0.00000
29
-0.03055
0.00000
0.00000
30
0.03055
0.00000
0.00000
31
0.00549
0.08428
0.00000
32
-0.00549
0.08428
0.00000
33
0.00549
-0.08428
0.00000
34
-0.00549
-0.08428
0.00000
35
-0.31095
-0.16358
0.00000
36
0.31095
-0.16358
0.00000
37
-0.31095
0.16358
0.00000
38
0.31095
0.16358
0.00000
39
0.16582
-0.07699
0.00000
40
-0.16582
-0.07699
0.00000
41
0.16582
0.07699
0.00000
42
-0.16582
0.07699
0.00000