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)
-1074.10796
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)
0.00789 b
(cm-1)
0.00764 c
(cm-1)
0.00388
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
0.00832
0.00000
0.00000
2
-0.00832
0.00000
0.00000
3
-0.02564
-0.03473
0.00000
4
0.02564
-0.03473
0.00000
5
-0.02564
0.03473
0.00000
6
0.02564
0.03473
0.00000
7
-0.03255
0.01003
0.00000
8
0.03255
0.01003
0.00000
9
-0.03255
-0.01003
0.00000
10
0.03255
-0.01003
0.00000
11
0.00709
-0.02338
0.00000
12
-0.00709
-0.02338
0.00000
13
0.00709
0.02338
0.00000
14
-0.00709
0.02338
0.00000
15
0.01879
0.00000
0.00000
16
-0.01879
0.00000
0.00000
17
-0.00885
-0.00676
0.00000
18
0.00885
-0.00676
0.00000
19
-0.00885
0.00676
0.00000
20
0.00885
0.00676
0.00000
21
0.03019
0.00455
0.00000
22
-0.03019
0.00455
0.00000
23
0.03019
-0.00455
0.00000
24
-0.03019
-0.00455
0.00000
25
-0.03069
0.01397
0.00000
26
0.03069
0.01397
0.00000
27
-0.03069
-0.01397
0.00000
28
0.03069
-0.01397
0.00000
29
0.02119
0.00000
0.00000
30
-0.02119
0.00000
0.00000
31
-0.00706
-0.13691
0.00000
32
0.00706
-0.13691
0.00000
33
-0.00706
0.13690
0.00000
34
0.00706
0.13690
0.00000
35
0.31756
0.16737
0.00000
36
-0.31756
0.16737
0.00000
37
0.31755
-0.16737
0.00000
38
-0.31755
-0.16737
0.00000
39
-0.14959
0.07793
0.00000
40
0.14959
0.07793
0.00000
41
-0.14958
-0.07793
0.00000
42
0.14958
-0.07793
0.00000