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)
-0.08400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08413
0.00000
0.00000
2
-0.08413
0.00000
0.00000
3
0.05969
-0.03753
0.00000
4
0.05969
0.03753
0.00000
5
0.05969
0.03753
0.00000
6
0.05969
-0.03753
0.00000
7
-0.01436
-0.00432
0.00000
8
-0.01436
0.00432
0.00000
9
-0.01436
0.00432
0.00000
10
-0.01436
-0.00432
0.00000
11
0.05627
-0.03588
0.00000
12
0.05627
0.03588
0.00000
13
0.05627
0.03588
0.00000
14
0.05627
-0.03588
0.00000
15
-0.03221
0.00000
0.00000
16
-0.03221
0.00000
0.00000
17
-0.03570
0.00968
0.00000
18
-0.03570
-0.00968
0.00000
19
-0.03570
-0.00968
0.00000
20
-0.03570
0.00968
0.00000
21
-0.00252
-0.00709
0.00000
22
-0.00252
0.00709
0.00000
23
-0.00252
0.00710
0.00000
24
-0.00252
-0.00710
0.00000
25
-0.00493
0.01796
0.00000
26
-0.00493
-0.01796
0.00000
27
-0.00493
-0.01796
0.00000
28
-0.00493
0.01796
0.00000
29
-0.03180
0.00001
0.00000
30
-0.03180
0.00000
0.00000
31
-0.04355
0.24426
0.00000
32
-0.04355
-0.24426
0.00000
33
-0.04355
-0.24426
0.00000
34
-0.04355
0.24426
0.00000
35
0.02307
0.00893
0.00000
36
0.02307
-0.00893
0.00000
37
0.02307
-0.00893
0.00000
38
0.02307
0.00893
0.00000
39
0.03296
-0.00088
0.00000
40
0.03296
0.00088
0.00000
41
0.03296
0.00088
0.00000
42
0.03296
-0.00088
0.00000