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
-0.03180
0.00000
0.00000
2
0.03180
0.00000
0.00000
3
-0.07651
-0.02642
0.00000
4
0.07651
-0.02642
0.00000
5
-0.07651
0.02642
0.00000
6
0.07651
0.02642
0.00000
7
-0.03537
-0.04541
0.00000
8
0.03537
-0.04541
0.00000
9
-0.03537
0.04541
0.00000
10
0.03537
0.04541
0.00000
11
-0.01539
-0.00308
0.00000
12
0.01539
-0.00308
0.00000
13
-0.01539
0.00308
0.00000
14
0.01539
0.00308
0.00000
15
0.09120
0.00000
0.00000
16
-0.09120
0.00000
0.00000
17
0.00836
-0.01928
0.00000
18
-0.00836
-0.01928
0.00000
19
0.00836
0.01928
0.00000
20
-0.00836
0.01928
0.00000
21
-0.01105
0.00397
0.00000
22
0.01105
0.00397
0.00000
23
-0.01105
-0.00397
0.00000
24
0.01105
-0.00397
0.00000
25
0.01966
0.05403
0.00000
26
-0.01966
0.05403
0.00000
27
0.01966
-0.05403
0.00000
28
-0.01966
-0.05403
0.00000
29
0.09743
0.00000
0.00000
30
-0.09743
0.00000
0.00000
31
0.00911
-0.03674
0.00000
32
-0.00911
-0.03674
0.00000
33
0.00911
0.03675
0.00000
34
-0.00911
0.03675
0.00000
35
-0.11395
-0.05411
0.00000
36
0.11395
-0.05411
0.00000
37
-0.11395
0.05411
0.00000
38
0.11395
0.05411
0.00000
39
0.04275
0.04418
0.00000
40
-0.04275
0.04418
0.00000
41
0.04275
-0.04418
0.00000
42
-0.04275
-0.04418
0.00000