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)
-0.26500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.08583
2
0.00000
0.00000
-0.08583
3
0.00000
0.00000
-0.00248
4
0.00000
0.00000
-0.00248
5
0.00000
0.00000
-0.00248
6
0.00000
0.00000
-0.00248
7
0.00000
0.00000
0.07730
8
0.00000
0.00000
0.07730
9
0.00000
0.00000
0.07730
10
0.00000
0.00000
0.07730
11
0.00000
0.00000
0.00510
12
0.00000
0.00000
0.00510
13
0.00000
0.00000
0.00510
14
0.00000
0.00000
0.00510
15
0.00000
0.00000
-0.06454
16
0.00000
0.00000
-0.06454
17
0.00000
0.00000
0.06020
18
0.00000
0.00000
0.06020
19
0.00000
0.00000
0.06020
20
0.00000
0.00000
0.06020
21
0.00000
0.00000
-0.04183
22
0.00000
0.00000
-0.04183
23
0.00000
0.00000
-0.04183
24
0.00000
0.00000
-0.04183
25
0.00000
0.00000
-0.01327
26
0.00000
0.00000
-0.01327
27
0.00000
0.00000
-0.01327
28
0.00000
0.00000
-0.01327
29
0.00000
0.00000
-0.13032
30
0.00000
0.00000
-0.13032
31
0.00000
0.00000
0.12717
32
0.00000
0.00000
0.12717
33
0.00000
0.00000
0.12717
34
0.00000
0.00000
0.12717
35
0.00000
0.00000
-0.11294
36
0.00000
0.00000
-0.11294
37
0.00000
0.00000
-0.11294
38
0.00000
0.00000
-0.11294
39
0.00000
0.00000
-0.06615
40
0.00000
0.00000
-0.06615
41
0.00000
0.00000
-0.06615
42
0.00000
0.00000
-0.06615