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
0.00000
2
0.00000
0.00000
0.00000
3
0.00000
0.00000
0.08683
4
0.00000
0.00000
0.08683
5
0.00000
0.00000
-0.08683
6
0.00000
0.00000
-0.08683
7
0.00000
0.00000
-0.04506
8
0.00000
0.00000
-0.04506
9
0.00000
0.00000
0.04506
10
0.00000
0.00000
0.04506
11
0.00000
0.00000
-0.06098
12
0.00000
0.00000
-0.06098
13
0.00000
0.00000
0.06098
14
0.00000
0.00000
0.06098
15
0.00000
0.00000
0.00000
16
0.00000
0.00000
0.00000
17
0.00000
0.00000
0.01494
18
0.00000
0.00000
0.01494
19
0.00000
0.00000
-0.01494
20
0.00000
0.00000
-0.01494
21
0.00000
0.00000
-0.03703
22
0.00000
0.00000
-0.03703
23
0.00000
0.00000
0.03703
24
0.00000
0.00000
0.03703
25
0.00000
0.00000
0.01241
26
0.00000
0.00000
0.01241
27
0.00000
0.00000
-0.01241
28
0.00000
0.00000
-0.01241
29
0.00000
0.00000
0.00000
30
0.00000
0.00000
0.00000
31
0.00000
0.00000
0.18999
32
0.00000
0.00000
0.18999
33
0.00000
0.00000
-0.18999
34
0.00000
0.00000
-0.18999
35
0.00000
0.00000
0.07642
36
0.00000
0.00000
0.07642
37
0.00000
0.00000
-0.07642
38
0.00000
0.00000
-0.07642
39
0.00000
0.00000
0.16460
40
0.00000
0.00000
0.16460
41
0.00000
0.00000
-0.16460
42
0.00000
0.00000
-0.16460