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)
0.06300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.01705
2
0.00000
0.00000
-0.01705
3
0.00000
0.00000
-0.01508
4
0.00000
0.00000
-0.01508
5
0.00000
0.00000
-0.01508
6
0.00000
0.00000
-0.01508
7
0.00000
0.00000
0.03847
8
0.00000
0.00000
0.03847
9
0.00000
0.00000
0.03847
10
0.00000
0.00000
0.03847
11
0.00000
0.00000
-0.05497
12
0.00000
0.00000
-0.05497
13
0.00000
0.00000
-0.05497
14
0.00000
0.00000
-0.05497
15
0.00000
0.00000
-0.09150
16
0.00000
0.00000
-0.09150
17
0.00000
0.00000
-0.03619
18
0.00000
0.00000
-0.03619
19
0.00000
0.00000
-0.03619
20
0.00000
0.00000
-0.03619
21
0.00000
0.00000
0.03957
22
0.00000
0.00000
0.03957
23
0.00000
0.00000
0.03957
24
0.00000
0.00000
0.03957
25
0.00000
0.00000
0.07721
26
0.00000
0.00000
0.07721
27
0.00000
0.00000
0.07721
28
0.00000
0.00000
0.07721
29
0.00000
0.00000
-0.12786
30
0.00000
0.00000
-0.12786
31
0.00000
0.00000
-0.07143
32
0.00000
0.00000
-0.07143
33
0.00000
0.00000
-0.07143
34
0.00000
0.00000
-0.07143
35
0.00000
0.00000
0.06668
36
0.00000
0.00000
0.06668
37
0.00000
0.00000
0.06668
38
0.00000
0.00000
0.06668
39
0.00000
0.00000
0.13133
40
0.00000
0.00000
0.13133
41
0.00000
0.00000
0.13133
42
0.00000
0.00000
0.13133