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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05743
0.00000
0.00000
2
0.05743
0.00000
0.00000
3
-0.01617
0.03748
0.00000
4
0.01617
0.03748
0.00000
5
-0.01617
-0.03748
0.00000
6
0.01617
-0.03748
0.00000
7
-0.02786
-0.04557
0.00000
8
0.02786
-0.04557
0.00000
9
-0.02786
0.04557
0.00000
10
0.02786
0.04557
0.00000
11
0.09097
0.00011
0.00000
12
-0.09097
0.00011
0.00000
13
0.09097
-0.00011
0.00000
14
-0.09097
-0.00011
0.00000
15
-0.05709
0.00000
0.00000
16
0.05709
0.00000
0.00000
17
-0.01633
-0.00215
0.00000
18
0.01633
-0.00215
0.00000
19
-0.01633
0.00215
0.00000
20
0.01633
0.00215
0.00000
21
-0.02325
-0.01330
0.00000
22
0.02325
-0.01330
0.00000
23
-0.02325
0.01330
0.00000
24
0.02325
0.01330
0.00000
25
0.00850
0.02276
0.00000
26
-0.00850
0.02276
0.00000
27
0.00850
-0.02276
0.00000
28
-0.00850
-0.02276
0.00000
29
-0.06202
0.00000
0.00000
30
0.06202
0.00000
0.00000
31
-0.01836
0.15563
0.00000
32
0.01836
0.15563
0.00000
33
-0.01836
-0.15563
0.00000
34
0.01836
-0.15563
0.00000
35
0.08403
0.04847
0.00000
36
-0.08403
0.04847
0.00000
37
0.08403
-0.04847
0.00000
38
-0.08403
-0.04847
0.00000
39
-0.02066
0.03958
0.00000
40
0.02066
0.03958
0.00000
41
-0.02066
-0.03958
0.00000
42
0.02066
-0.03958
0.00000