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)
-1074.10796
Description
S0
Multiplicity
1
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)
0.00789 b
(cm-1)
0.00764 c
(cm-1)
0.00388
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
-0.06843
0.00000
2
0.00000
0.06843
0.00000
3
-0.02997
-0.00131
0.00000
4
-0.02997
0.00131
0.00000
5
0.02997
-0.00131
0.00000
6
0.02997
0.00131
0.00000
7
0.01942
0.07919
0.00000
8
0.01942
-0.07919
0.00000
9
-0.01942
0.07919
0.00000
10
-0.01942
-0.07919
0.00000
11
-0.00614
0.00955
0.00000
12
-0.00614
-0.00955
0.00000
13
0.00614
0.00955
0.00000
14
0.00613
-0.00955
0.00000
15
0.00000
0.00689
0.00000
16
0.00000
-0.00689
0.00000
17
0.01721
-0.01698
0.00000
18
0.01721
0.01698
0.00000
19
-0.01721
-0.01698
0.00000
20
-0.01721
0.01698
0.00000
21
-0.01646
-0.01715
0.00000
22
-0.01646
0.01715
0.00000
23
0.01646
-0.01715
0.00000
24
0.01646
0.01715
0.00000
25
-0.03111
-0.00836
0.00000
26
-0.03111
0.00836
0.00000
27
0.03111
-0.00836
0.00000
28
0.03111
0.00836
0.00000
29
0.00000
0.00644
0.00000
30
0.00000
-0.00643
0.00000
31
0.01856
0.07123
0.00000
32
0.01856
-0.07123
0.00000
33
-0.01856
0.07123
0.00000
34
-0.01856
-0.07123
0.00000
35
0.13094
0.06318
0.00000
36
0.13094
-0.06318
0.00000
37
-0.13094
0.06318
0.00000
38
-0.13094
-0.06317
0.00000
39
0.23153
-0.14921
0.00000
40
0.23153
0.14921
0.00000
41
-0.23153
-0.14921
0.00000
42
-0.23153
0.14921
0.00000