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
0.00000
0.00000
0.00145
2
0.00000
0.00000
-0.00145
3
0.00000
0.00000
-0.00671
4
0.00000
0.00000
0.00671
5
0.00000
0.00000
-0.00671
6
0.00000
0.00000
0.00671
7
0.00000
0.00000
0.03156
8
0.00000
0.00000
-0.03156
9
0.00000
0.00000
0.03156
10
0.00000
0.00000
-0.03156
11
0.00000
0.00000
0.02276
12
0.00000
0.00000
-0.02276
13
0.00000
0.00000
0.02276
14
0.00000
0.00000
-0.02276
15
0.00000
0.00000
-0.07045
16
0.00000
0.00000
0.07045
17
0.00000
0.00000
0.03019
18
0.00000
0.00000
-0.03019
19
0.00000
0.00000
0.03019
20
0.00000
0.00000
-0.03019
21
0.00000
0.00000
-0.00840
22
0.00000
0.00000
0.00840
23
0.00000
0.00000
-0.00840
24
0.00000
0.00000
0.00840
25
0.00000
0.00000
-0.04777
26
0.00000
0.00000
0.04777
27
0.00000
0.00000
-0.04777
28
0.00000
0.00000
0.04777
29
0.00000
0.00000
0.35595
30
0.00000
0.00000
-0.35595
31
0.00000
0.00000
-0.20244
32
0.00000
0.00000
0.20244
33
0.00000
0.00000
-0.20244
34
0.00000
0.00000
0.20244
35
0.00000
0.00000
0.08619
36
0.00000
0.00000
-0.08619
37
0.00000
0.00000
0.08619
38
0.00000
0.00000
-0.08619
39
0.00000
0.00000
0.22206
40
0.00000
0.00000
-0.22206
41
0.00000
0.00000
0.22206
42
0.00000
0.00000
-0.22206