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
-0.00615
0.00000
0.00000
2
0.00615
0.00000
0.00000
3
0.01007
-0.02145
0.00000
4
-0.01007
-0.02145
0.00000
5
0.01007
0.02145
0.00000
6
-0.01007
0.02145
0.00000
7
-0.04162
0.02662
0.00000
8
0.04162
0.02662
0.00000
9
-0.04162
-0.02662
0.00000
10
0.04162
-0.02662
0.00000
11
-0.00925
0.05203
0.00000
12
0.00925
0.05203
0.00000
13
-0.00925
-0.05202
0.00000
14
0.00925
-0.05202
0.00000
15
-0.00692
0.00000
0.00000
16
0.00692
0.00000
0.00000
17
0.00336
-0.07204
0.00000
18
-0.00336
-0.07204
0.00000
19
0.00336
0.07203
0.00000
20
-0.00336
0.07203
0.00000
21
-0.01009
0.03829
0.00000
22
0.01009
0.03829
0.00000
23
-0.01009
-0.03829
0.00000
24
0.01009
-0.03829
0.00000
25
0.05171
-0.03574
0.00000
26
-0.05171
-0.03574
0.00000
27
0.05171
0.03574
0.00000
28
-0.05171
0.03574
0.00000
29
-0.01042
0.00000
0.00000
30
0.01042
0.00000
0.00000
31
0.00003
0.13599
0.00000
32
-0.00003
0.13599
0.00000
33
0.00003
-0.13599
0.00000
34
-0.00003
-0.13599
0.00000
35
-0.03249
0.03376
0.00000
36
0.03250
0.03376
0.00000
37
-0.03249
-0.03376
0.00000
38
0.03249
-0.03376
0.00000
39
-0.15681
0.07475
0.00000
40
0.15681
0.07475
0.00000
41
-0.15681
-0.07475
0.00000
42
0.15681
-0.07475
0.00000