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)
0.37500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07298
-0.00001
0.00000
2
-0.07298
0.00001
0.00000
3
-0.00236
0.04317
0.00000
4
-0.00236
-0.04317
0.00000
5
-0.00236
-0.04319
0.00000
6
-0.00236
0.04319
0.00000
7
0.05718
0.00881
0.00000
8
0.05718
-0.00881
0.00000
9
0.05720
-0.00882
0.00000
10
0.05720
0.00882
0.00000
11
0.00675
0.04673
0.00000
12
0.00675
-0.04673
0.00000
13
0.00674
-0.04673
0.00000
14
0.00674
0.04673
0.00000
15
0.09189
0.00000
0.00000
16
0.09189
0.00000
0.00000
17
-0.06392
0.01439
0.00000
18
-0.06392
-0.01439
0.00000
19
-0.06394
-0.01438
0.00000
20
-0.06394
0.01438
0.00000
21
-0.01055
-0.01809
0.00000
22
-0.01055
0.01809
0.00000
23
-0.01054
0.01811
0.00000
24
-0.01054
-0.01811
0.00000
25
0.00470
-0.02824
0.00000
26
0.00470
0.02824
0.00000
27
0.00471
0.02824
0.00000
28
0.00471
-0.02824
0.00000
29
0.09274
0.00001
0.00000
30
0.09274
-0.00001
0.00000
31
-0.06439
0.00897
0.00000
32
-0.06439
-0.00897
0.00000
33
-0.06441
-0.00898
0.00000
34
-0.06441
0.00898
0.00000
35
0.03768
0.01039
0.00000
36
0.03768
-0.01039
0.00000
37
0.03770
-0.01038
0.00000
38
0.03770
0.01038
0.00000
39
-0.03461
-0.00753
0.00000
40
-0.03461
0.00753
0.00000
41
-0.03462
0.00752
0.00000
42
-0.03462
-0.00752
0.00000