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)
-1073.55865
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)
0.00795 b
(cm-1)
0.00762 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
0.12899
0.00000
0.00000
2
-0.12899
0.00000
0.00000
3
-0.01889
0.02232
0.00000
4
0.01889
0.02232
0.00000
5
-0.01889
-0.02232
0.00000
6
0.01889
-0.02232
0.00000
7
0.00039
0.00817
0.00000
8
-0.00039
0.00817
0.00000
9
0.00039
-0.00817
0.00000
10
-0.00039
-0.00817
0.00000
11
-0.02596
-0.04243
0.00000
12
0.02596
-0.04243
0.00000
13
-0.02596
0.04243
0.00000
14
0.02596
0.04243
0.00000
15
0.02545
0.00000
0.00000
16
-0.02545
0.00000
0.00000
17
0.00527
0.03403
0.00000
18
-0.00527
0.03403
0.00000
19
0.00527
-0.03403
0.00000
20
-0.00527
-0.03403
0.00000
21
-0.01370
0.00674
0.00000
22
0.01370
0.00674
0.00000
23
-0.01370
-0.00674
0.00000
24
0.01370
-0.00674
0.00000
25
0.04275
-0.02880
0.00000
26
-0.04275
-0.02880
0.00000
27
0.04275
0.02880
0.00000
28
-0.04275
0.02880
0.00000
29
0.02953
0.00000
0.00000
30
-0.02953
0.00000
0.00000
31
0.00655
-0.10668
0.00000
32
-0.00655
-0.10668
0.00000
33
0.00655
0.10668
0.00000
34
-0.00655
0.10668
0.00000
35
-0.07872
-0.02907
0.00000
36
0.07872
-0.02907
0.00000
37
-0.07872
0.02907
0.00000
38
0.07872
0.02907
0.00000
39
-0.17284
0.08601
0.00000
40
0.17284
0.08601
0.00000
41
-0.17284
-0.08601
0.00000
42
0.17284
-0.08601
0.00000