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
0.00000
2
0.00000
0.00000
0.00000
3
0.00000
0.00000
0.01888
4
0.00000
0.00000
-0.01888
5
0.00000
0.00000
-0.01888
6
0.00000
0.00000
0.01888
7
0.00000
0.00000
-0.01033
8
0.00000
0.00000
0.01033
9
0.00000
0.00000
0.01033
10
0.00000
0.00000
-0.01033
11
0.00000
0.00000
0.04924
12
0.00000
0.00000
-0.04924
13
0.00000
0.00000
-0.04924
14
0.00000
0.00000
0.04924
15
0.00000
0.00000
0.00000
16
0.00000
0.00000
0.00000
17
0.00000
0.00000
0.08083
18
0.00000
0.00000
-0.08083
19
0.00000
0.00000
-0.08083
20
0.00000
0.00000
0.08083
21
0.00000
0.00000
-0.01329
22
0.00000
0.00000
0.01329
23
0.00000
0.00000
0.01329
24
0.00000
0.00000
-0.01329
25
0.00000
0.00000
-0.08146
26
0.00000
0.00000
0.08146
27
0.00000
0.00000
0.08146
28
0.00000
0.00000
-0.08146
29
0.00000
0.00000
0.00000
30
0.00000
0.00000
0.00000
31
0.00000
0.00000
0.14020
32
0.00000
0.00000
-0.14020
33
0.00000
0.00000
-0.14020
34
0.00000
0.00000
0.14020
35
0.00000
0.00000
-0.03929
36
0.00000
0.00000
0.03929
37
0.00000
0.00000
0.03929
38
0.00000
0.00000
-0.03929
39
0.00000
0.00000
-0.18325
40
0.00000
0.00000
0.18325
41
0.00000
0.00000
0.18325
42
0.00000
0.00000
-0.18325