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
0.00000
0.00000
0.05849
2
0.00000
0.00000
-0.05849
3
0.00000
0.00000
-0.06290
4
0.00000
0.00000
0.06290
5
0.00000
0.00000
-0.06290
6
0.00000
0.00000
0.06290
7
0.00000
0.00000
0.06779
8
0.00000
0.00000
-0.06779
9
0.00000
0.00000
0.06779
10
0.00000
0.00000
-0.06779
11
0.00000
0.00000
0.03448
12
0.00000
0.00000
-0.03448
13
0.00000
0.00000
0.03448
14
0.00000
0.00000
-0.03448
15
0.00000
0.00000
0.02300
16
0.00000
0.00000
-0.02300
17
0.00000
0.00000
-0.03643
18
0.00000
0.00000
0.03643
19
0.00000
0.00000
-0.03643
20
0.00000
0.00000
0.03643
21
0.00000
0.00000
-0.00838
22
0.00000
0.00000
0.00838
23
0.00000
0.00000
-0.00838
24
0.00000
0.00000
0.00838
25
0.00000
0.00000
-0.01866
26
0.00000
0.00000
0.01866
27
0.00000
0.00000
-0.01866
28
0.00000
0.00000
0.01866
29
0.00000
0.00000
-0.25685
30
0.00000
0.00000
0.25685
31
0.00000
0.00000
0.15551
32
0.00000
0.00000
-0.15551
33
0.00000
0.00000
0.15551
34
0.00000
0.00000
-0.15551
35
0.00000
0.00000
0.17483
36
0.00000
0.00000
-0.17483
37
0.00000
0.00000
0.17483
38
0.00000
0.00000
-0.17483
39
0.00000
0.00000
0.00615
40
0.00000
0.00000
-0.00615
41
0.00000
0.00000
0.00615
42
0.00000
0.00000
-0.00615