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)
1.25100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02777
2
0.00000
0.00000
0.02777
3
0.00000
0.00000
-0.05001
4
0.00000
0.00000
-0.05001
5
0.00000
0.00000
-0.05001
6
0.00000
0.00000
-0.05001
7
0.00000
0.00000
0.03431
8
0.00000
0.00000
0.03431
9
0.00000
0.00000
0.03431
10
0.00000
0.00000
0.03431
11
0.00000
0.00000
0.04665
12
0.00000
0.00000
0.04665
13
0.00000
0.00000
0.04665
14
0.00000
0.00000
0.04665
15
0.00000
0.00000
0.01600
16
0.00000
0.00000
0.01600
17
0.00000
0.00000
-0.04076
18
0.00000
0.00000
-0.04076
19
0.00000
0.00000
-0.04076
20
0.00000
0.00000
-0.04076
21
0.00000
0.00000
-0.01160
22
0.00000
0.00000
-0.01160
23
0.00000
0.00000
-0.01160
24
0.00000
0.00000
-0.01160
25
0.00000
0.00000
-0.03506
26
0.00000
0.00000
-0.03506
27
0.00000
0.00000
-0.03506
28
0.00000
0.00000
-0.03506
29
0.00000
0.00000
-0.25649
30
0.00000
0.00000
-0.25649
31
0.00000
0.00000
0.16923
32
0.00000
0.00000
0.16923
33
0.00000
0.00000
0.16923
34
0.00000
0.00000
0.16923
35
0.00000
0.00000
0.23987
36
0.00000
0.00000
0.23987
37
0.00000
0.00000
0.23987
38
0.00000
0.00000
0.23987
39
0.00000
0.00000
0.13094
40
0.00000
0.00000
0.13094
41
0.00000
0.00000
0.13094
42
0.00000
0.00000
0.13094