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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00006
0.00000
0.00000
2
-0.00006
0.00000
0.00000
3
-0.00013
-0.00007
0.00000
4
0.00013
-0.00007
0.00000
5
-0.00013
0.00007
0.00000
6
0.00013
0.00007
0.00000
7
0.00002
-0.00012
0.00000
8
-0.00002
-0.00012
0.00000
9
0.00002
0.00012
0.00000
10
-0.00002
0.00012
0.00000
11
-0.00028
0.00070
0.00000
12
0.00028
0.00070
0.00000
13
-0.00028
-0.00070
0.00000
14
0.00028
-0.00070
0.00000
15
0.00075
0.00000
0.00000
16
-0.00075
0.00000
0.00000
17
0.01302
0.00153
0.00000
18
-0.01302
0.00153
0.00000
19
0.01301
-0.00153
0.00000
20
-0.01301
-0.00153
0.00000
21
0.01756
-0.03218
0.00000
22
-0.01756
-0.03218
0.00000
23
0.01756
0.03218
0.00000
24
-0.01756
0.03218
0.00000
25
0.00607
0.01467
0.00000
26
-0.00607
0.01467
0.00000
27
0.00607
-0.01467
0.00000
28
-0.00607
-0.01467
0.00000
29
-0.00831
0.00000
0.00000
30
0.00831
0.00000
0.00000
31
-0.14027
-0.00345
0.00000
32
0.14027
-0.00345
0.00000
33
-0.14025
0.00345
0.00000
34
0.14025
0.00345
0.00000
35
-0.20704
0.35774
0.00000
36
0.20704
0.35774
0.00000
37
-0.20701
-0.35769
0.00000
38
0.20701
-0.35769
0.00000
39
-0.08892
-0.16899
0.00000
40
0.08892
-0.16899
0.00000
41
-0.08891
0.16897
0.00000
42
0.08891
0.16897
0.00000