Charge: 0
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
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)
-0.56000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.07331
2
0.00000
0.00000
-0.07331
3
0.00000
0.00000
0.04413
4
0.00000
0.00000
0.04413
5
0.00000
0.00000
0.04413
6
0.00000
0.00000
0.04413
7
0.00000
0.00000
-0.05329
8
0.00000
0.00000
-0.05329
9
0.00000
0.00000
-0.05329
10
0.00000
0.00000
-0.05329
11
0.00000
0.00000
0.08502
12
0.00000
0.00000
0.08502
13
0.00000
0.00000
0.08502
14
0.00000
0.00000
0.08502
15
0.00000
0.00000
-0.04482
16
0.00000
0.00000
-0.04482
17
0.00000
0.00000
-0.02173
18
0.00000
0.00000
-0.02173
19
0.00000
0.00000
-0.02173
20
0.00000
0.00000
-0.02173
21
0.00000
0.00000
0.01133
22
0.00000
0.00000
0.01133
23
0.00000
0.00000
0.01133
24
0.00000
0.00000
0.01133
25
0.00000
0.00000
0.01383
26
0.00000
0.00000
0.01383
27
0.00000
0.00000
0.01383
28
0.00000
0.00000
0.01383
29
0.00000
0.00000
-0.26548
30
0.00000
0.00000
-0.26548
31
0.00000
0.00000
-0.12467
32
0.00000
0.00000
-0.12467
33
0.00000
0.00000
-0.12467
34
0.00000
0.00000
-0.12467
35
0.00000
0.00000
-0.01020
36
0.00000
0.00000
-0.01020
37
0.00000
0.00000
-0.01020
38
0.00000
0.00000
-0.01020
39
0.00000
0.00000
0.02676
40
0.00000
0.00000
0.02676
41
0.00000
0.00000
0.02676
42
0.00000
0.00000
0.02676