Charge: 0
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H
Electronic States
Energy
(eV)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
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
-0.00049
0.00000
0.00000
2
0.00049
0.00000
0.00000
3
-0.08126
0.00000
0.00000
4
-0.08608
0.00000
0.00000
5
0.08608
0.00000
0.00000
6
0.08126
0.00000
0.00000
7
-0.04924
0.00000
0.00000
8
-0.05048
0.00000
0.00000
9
0.05048
0.00000
0.00000
10
0.04924
0.00000
0.00000
11
0.05389
0.00000
0.00000
12
0.05646
0.00000
0.00000
13
-0.05646
0.00000
0.00000
14
-0.05389
0.00000
0.00000
15
-0.00419
0.00000
0.00000
16
0.00419
0.00000
0.00000
17
-0.01075
0.00000
0.00000
18
-0.01314
0.00000
0.00000
19
0.01314
0.00000
0.00000
20
0.01075
0.00000
0.00000
21
0.00852
0.00000
0.00000
22
0.00911
0.00000
0.00000
23
-0.00911
0.00000
0.00000
24
-0.00852
0.00000
0.00000
25
0.05239
0.00000
0.00000
26
-0.05239
0.00000
0.00000
27
-0.07959
0.00000
0.00000
28
0.07959
0.00000
0.00000
29
0.02529
0.00000
0.00000
30
0.01352
0.00000
0.00000
31
-0.01352
0.00000
0.00000
32
-0.02529
0.00000
0.00000
33
0.10186
0.00000
0.00000
34
0.10152
0.00000
0.00000
35
-0.10152
0.00000
0.00000
36
-0.10186
0.00000
0.00000
37
-0.19734
0.00000
0.00000
38
0.13642
0.00000
0.00000
39
-0.13642
0.00000
0.00000
40
0.19734
0.00000
0.00000
41
0.06977
0.00000
0.00000
42
-0.06977
0.00000
0.00000