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)
-0.49200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02745
0.00000
0.00000
2
-0.02745
0.00000
0.00000
3
0.04925
0.01646
0.00000
4
0.04925
-0.01646
0.00000
5
0.04925
-0.01646
0.00000
6
0.04925
0.01646
0.00000
7
0.01076
-0.06258
0.00000
8
0.01076
0.06258
0.00000
9
0.01076
0.06258
0.00000
10
0.01076
-0.06258
0.00000
11
-0.05335
-0.00333
0.00000
12
-0.05335
0.00333
0.00000
13
-0.05335
0.00333
0.00000
14
-0.05335
-0.00333
0.00000
15
0.03143
0.00000
0.00000
16
0.03143
0.00000
0.00000
17
-0.00385
-0.05742
0.00000
18
-0.00385
0.05742
0.00000
19
-0.00385
0.05742
0.00000
20
-0.00385
-0.05742
0.00000
21
0.03968
0.03386
0.00000
22
0.03968
-0.03386
0.00000
23
0.03968
-0.03386
0.00000
24
0.03968
0.03386
0.00000
25
-0.04858
0.03493
0.00000
26
-0.04858
-0.03493
0.00000
27
-0.04858
-0.03493
0.00000
28
-0.04858
0.03493
0.00000
29
0.03131
0.00000
0.00000
30
0.03131
0.00000
0.00000
31
-0.01021
0.08310
0.00000
32
-0.01021
-0.08310
0.00000
33
-0.01021
-0.08310
0.00000
34
-0.01021
0.08310
0.00000
35
0.00964
0.01748
0.00000
36
0.00964
-0.01748
0.00000
37
0.00964
-0.01748
0.00000
38
0.00964
0.01748
0.00000
39
0.03382
-0.00706
0.00000
40
0.03382
0.00706
0.00000
41
0.03382
0.00706
0.00000
42
0.03382
-0.00706
0.00000