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)
-1073.55865
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)
-0.16800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06522
0.00000
0.00000
2
-0.06522
0.00000
0.00000
3
-0.02005
0.03763
0.00000
4
-0.02005
-0.03764
0.00000
5
-0.02005
-0.03763
0.00000
6
-0.02005
0.03763
0.00000
7
0.01403
0.04947
0.00000
8
0.01403
-0.04947
0.00000
9
0.01403
-0.04947
0.00000
10
0.01403
0.04947
0.00000
11
-0.00569
-0.02202
0.00000
12
-0.00569
0.02202
0.00000
13
-0.00569
0.02202
0.00000
14
-0.00569
-0.02202
0.00000
15
-0.02092
0.00000
0.00000
16
-0.02092
0.00000
0.00000
17
0.01730
-0.04983
0.00000
18
0.01730
0.04983
0.00000
19
0.01730
0.04983
0.00000
20
0.01730
-0.04983
0.00000
21
0.02064
-0.05435
0.00000
22
0.02064
0.05435
0.00000
23
0.02064
0.05435
0.00000
24
0.02064
-0.05435
0.00000
25
0.02312
0.06926
0.00000
26
0.02312
-0.06926
0.00000
27
0.02312
-0.06926
0.00000
28
0.02312
0.06926
0.00000
29
-0.02065
0.00000
0.00000
30
-0.02065
0.00000
0.00000
31
0.01805
-0.02832
0.00000
32
0.01805
0.02832
0.00000
33
0.01805
0.02832
0.00000
34
0.01805
-0.02832
0.00000
35
-0.04165
-0.09145
0.00000
36
-0.04165
0.09145
0.00000
37
-0.04165
0.09145
0.00000
38
-0.04165
-0.09145
0.00000
39
-0.04092
0.10422
0.00000
40
-0.04092
-0.10422
0.00000
41
-0.04092
-0.10422
0.00000
42
-0.04092
0.10422
0.00000