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)
0.43300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00004
0.00000
0.00000
2
-0.00004
0.00000
0.00000
3
0.00009
0.00001
0.00000
4
0.00009
-0.00001
0.00000
5
0.00009
-0.00001
0.00000
6
0.00009
0.00001
0.00000
7
-0.00017
0.00003
0.00000
8
-0.00017
-0.00003
0.00000
9
-0.00017
-0.00003
0.00000
10
-0.00017
0.00003
0.00000
11
0.00026
0.00279
0.00000
12
0.00026
-0.00279
0.00000
13
0.00026
-0.00279
0.00000
14
0.00026
0.00279
0.00000
15
-0.04483
0.00000
0.00000
16
-0.04483
0.00000
0.00000
17
0.02408
-0.00002
0.00000
18
0.02408
0.00002
0.00000
19
0.02408
0.00002
0.00000
20
0.02408
-0.00002
0.00000
21
-0.00632
0.00891
0.00000
22
-0.00632
-0.00891
0.00000
23
-0.00632
-0.00891
0.00000
24
-0.00632
0.00891
0.00000
25
-0.00140
-0.00332
0.00000
26
-0.00140
0.00332
0.00000
27
-0.00140
0.00332
0.00000
28
-0.00140
-0.00332
0.00000
29
0.51529
0.00000
0.00000
30
0.51529
0.00000
0.00000
31
-0.27429
-0.00247
0.00000
32
-0.27429
0.00247
0.00000
33
-0.27429
0.00247
0.00000
34
-0.27429
-0.00247
0.00000
35
0.06682
-0.11500
0.00000
36
0.06682
0.11500
0.00000
37
0.06682
0.11500
0.00000
38
0.06682
-0.11500
0.00000
39
0.02001
0.03783
0.00000
40
0.02001
-0.03783
0.00000
41
0.02001
-0.03783
0.00000
42
0.02001
0.03783
0.00000