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)
-0.38900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01774
0.00000
0.00000
2
-0.01774
0.00000
0.00000
3
-0.02106
-0.06855
0.00000
4
-0.02106
0.06855
0.00000
5
-0.02106
0.06855
0.00000
6
-0.02106
-0.06855
0.00000
7
0.02955
-0.03407
0.00000
8
0.02955
0.03407
0.00000
9
0.02955
0.03407
0.00000
10
0.02955
-0.03407
0.00000
11
-0.00345
-0.01453
0.00000
12
-0.00345
0.01453
0.00000
13
-0.00345
0.01453
0.00000
14
-0.00345
-0.01453
0.00000
15
0.02556
0.00000
0.00000
16
0.02556
0.00000
0.00000
17
-0.00458
0.00112
0.00000
18
-0.00458
-0.00112
0.00000
19
-0.00458
-0.00112
0.00000
20
-0.00458
0.00112
0.00000
21
0.01116
0.01274
0.00000
22
0.01116
-0.01274
0.00000
23
0.01116
-0.01274
0.00000
24
0.01116
0.01274
0.00000
25
-0.00466
0.02832
0.00000
26
-0.00466
-0.02832
0.00000
27
-0.00466
-0.02832
0.00000
28
-0.00466
0.02832
0.00000
29
0.02865
0.00000
0.00000
30
0.02865
0.00000
0.00000
31
-0.00439
-0.08867
0.00000
32
-0.00439
0.08867
0.00000
33
-0.00439
0.08867
0.00000
34
-0.00439
-0.08868
0.00000
35
0.13557
0.08684
0.00000
36
0.13558
-0.08685
0.00000
37
0.13557
-0.08685
0.00000
38
0.13558
0.08685
0.00000
39
-0.27497
0.17572
0.00000
40
-0.27497
-0.17572
0.00000
41
-0.27497
-0.17572
0.00000
42
-0.27498
0.17572
0.00000