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)
-2.46000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02662
0.00000
0.00000
2
0.02662
0.00000
0.00000
3
-0.06027
-0.00767
0.00000
4
-0.06027
0.00767
0.00000
5
-0.06027
0.00767
0.00000
6
-0.06027
-0.00767
0.00000
7
0.03484
0.00409
0.00000
8
0.03484
-0.00409
0.00000
9
0.03484
-0.00409
0.00000
10
0.03484
0.00409
0.00000
11
0.06026
-0.00285
0.00000
12
0.06026
0.00285
0.00000
13
0.06026
0.00285
0.00000
14
0.06026
-0.00285
0.00000
15
-0.02539
0.00000
0.00000
16
-0.02539
0.00000
0.00000
17
-0.03390
-0.00348
0.00000
18
-0.03390
0.00348
0.00000
19
-0.03390
0.00348
0.00000
20
-0.03390
-0.00348
0.00000
21
0.06552
0.02182
0.00000
22
0.06552
-0.02182
0.00000
23
0.06552
-0.02182
0.00000
24
0.06552
0.02182
0.00000
25
-0.06092
0.00990
0.00000
26
-0.06092
-0.00990
0.00000
27
-0.06092
-0.00990
0.00000
28
-0.06092
0.00990
0.00000
29
-0.02203
0.00000
0.00000
30
-0.02203
0.00000
0.00000
31
-0.03543
-0.01022
0.00000
32
-0.03543
0.01022
0.00000
33
-0.03543
0.01022
0.00000
34
-0.03543
-0.01022
0.00000
35
-0.09055
-0.06893
0.00000
36
-0.09055
0.06893
0.00000
37
-0.09055
0.06893
0.00000
38
-0.09055
-0.06893
0.00000
39
0.06374
-0.05905
0.00000
40
0.06374
0.05905
0.00000
41
0.06374
0.05905
0.00000
42
0.06374
-0.05905
0.00000