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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06293
0.00000
0.00000
2
0.06293
0.00000
0.00000
3
-0.02457
0.06208
0.00000
4
0.02457
0.06208
0.00000
5
-0.02457
-0.06208
0.00000
6
0.02457
-0.06208
0.00000
7
0.03160
0.01531
0.00000
8
-0.03160
0.01531
0.00000
9
0.03160
-0.01531
0.00000
10
-0.03160
-0.01531
0.00000
11
0.00574
0.00736
0.00000
12
-0.00574
0.00736
0.00000
13
0.00574
-0.00736
0.00000
14
-0.00574
-0.00736
0.00000
15
-0.02753
0.00000
0.00000
16
0.02753
0.00000
0.00000
17
0.00381
-0.02862
0.00000
18
-0.00381
-0.02862
0.00000
19
0.00381
0.02862
0.00000
20
-0.00381
0.02862
0.00000
21
-0.01746
0.03050
0.00000
22
0.01746
0.03050
0.00000
23
-0.01746
-0.03050
0.00000
24
0.01746
-0.03050
0.00000
25
0.03245
-0.02615
0.00000
26
-0.03245
-0.02615
0.00000
27
0.03245
0.02615
0.00000
28
-0.03245
0.02615
0.00000
29
-0.02988
0.00000
0.00000
30
0.02988
0.00000
0.00000
31
0.00714
-0.28726
0.00000
32
-0.00714
-0.28726
0.00000
33
0.00714
0.28726
0.00000
34
-0.00714
0.28726
0.00000
35
0.06664
0.08065
0.00000
36
-0.06664
0.08065
0.00000
37
0.06663
-0.08064
0.00000
38
-0.06663
-0.08064
0.00000
39
0.09220
-0.05829
0.00000
40
-0.09220
-0.05829
0.00000
41
0.09220
0.05829
0.00000
42
-0.09220
0.05829
0.00000