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)
-0.03200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.08012
2
0.00000
0.00000
0.08012
3
0.00000
0.00000
0.03448
4
0.00000
0.00000
0.03448
5
0.00000
0.00000
0.03448
6
0.00000
0.00000
0.03448
7
0.00000
0.00000
-0.01974
8
0.00000
0.00000
-0.01974
9
0.00000
0.00000
-0.01974
10
0.00000
0.00000
-0.01974
11
0.00000
0.00000
-0.02635
12
0.00000
0.00000
-0.02635
13
0.00000
0.00000
-0.02635
14
0.00000
0.00000
-0.02635
15
0.00000
0.00000
-0.10623
16
0.00000
0.00000
-0.10623
17
0.00000
0.00000
0.04138
18
0.00000
0.00000
0.04138
19
0.00000
0.00000
0.04138
20
0.00000
0.00000
0.04138
21
0.00000
0.00000
0.03899
22
0.00000
0.00000
0.03899
23
0.00000
0.00000
0.03899
24
0.00000
0.00000
0.03899
25
0.00000
0.00000
-0.05364
26
0.00000
0.00000
-0.05364
27
0.00000
0.00000
-0.05364
28
0.00000
0.00000
-0.05364
29
0.00000
0.00000
-0.17233
30
0.00000
0.00000
-0.17233
31
0.00000
0.00000
0.08629
32
0.00000
0.00000
0.08629
33
0.00000
0.00000
0.08629
34
0.00000
0.00000
0.08629
35
0.00000
0.00000
0.08830
36
0.00000
0.00000
0.08830
37
0.00000
0.00000
0.08830
38
0.00000
0.00000
0.08830
39
0.00000
0.00000
-0.11295
40
0.00000
0.00000
-0.11295
41
0.00000
0.00000
-0.11295
42
0.00000
0.00000
-0.11295