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)
-1073.90161
Description
D0
Multiplicity
2
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)
0.00793 b
(cm-1)
0.00763 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)
1.30100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05674
2
0.00000
0.00000
-0.05674
3
0.00000
0.00000
0.08579
4
0.00000
0.00000
0.08579
5
0.00000
0.00000
0.08579
6
0.00000
0.00000
0.08579
7
0.00000
0.00000
-0.02375
8
0.00000
0.00000
-0.02375
9
0.00000
0.00000
-0.02375
10
0.00000
0.00000
-0.02375
11
0.00000
0.00000
-0.04744
12
0.00000
0.00000
-0.04744
13
0.00000
0.00000
-0.04744
14
0.00000
0.00000
-0.04744
15
0.00000
0.00000
0.02016
16
0.00000
0.00000
0.02016
17
0.00000
0.00000
-0.00748
18
0.00000
0.00000
-0.00748
19
0.00000
0.00000
-0.00748
20
0.00000
0.00000
-0.00748
21
0.00000
0.00000
-0.03306
22
0.00000
0.00000
-0.03306
23
0.00000
0.00000
-0.03306
24
0.00000
0.00000
-0.03306
25
0.00000
0.00000
-0.00116
26
0.00000
0.00000
-0.00116
27
0.00000
0.00000
-0.00116
28
0.00000
0.00000
-0.00116
29
0.00000
0.00000
0.04717
30
0.00000
0.00000
0.04717
31
0.00000
0.00000
0.20315
32
0.00000
0.00000
0.20315
33
0.00000
0.00000
0.20315
34
0.00000
0.00000
0.20315
35
0.00000
0.00000
0.15158
36
0.00000
0.00000
0.15158
37
0.00000
0.00000
0.15158
38
0.00000
0.00000
0.15158
39
0.00000
0.00000
0.16211
40
0.00000
0.00000
0.16211
41
0.00000
0.00000
0.16211
42
0.00000
0.00000
0.16211