Charge: -1
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/q-1
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
0.07023
0.00000
0.00000
2
-0.07023
0.00000
0.00000
3
-0.06913
-0.01176
0.00000
4
0.06913
-0.01176
0.00000
5
-0.06913
0.01176
0.00000
6
0.06913
0.01176
0.00000
7
0.05698
0.01039
0.00000
8
-0.05698
0.01039
0.00000
9
0.05698
-0.01039
0.00000
10
-0.05698
-0.01039
0.00000
11
0.04892
0.01074
0.00000
12
-0.04892
0.01074
0.00000
13
0.04892
-0.01074
0.00000
14
-0.04892
-0.01074
0.00000
15
-0.01932
0.00000
0.00000
16
0.01932
0.00000
0.00000
17
-0.02284
-0.01984
0.00000
18
0.02284
-0.01984
0.00000
19
-0.02284
0.01984
0.00000
20
0.02284
0.01984
0.00000
21
0.04633
0.02088
0.00000
22
-0.04633
0.02088
0.00000
23
0.04633
-0.02088
0.00000
24
-0.04633
-0.02088
0.00000
25
-0.04859
0.00652
0.00000
26
0.04859
0.00652
0.00000
27
-0.04859
-0.00652
0.00000
28
0.04859
-0.00652
0.00000
29
-0.02144
0.00000
0.00000
30
0.02144
0.00000
0.00000
31
-0.02706
0.03337
0.00000
32
0.02706
0.03337
0.00000
33
-0.02706
-0.03337
0.00000
34
0.02706
-0.03337
0.00000
35
-0.05939
-0.03948
0.00000
36
0.05939
-0.03948
0.00000
37
-0.05939
0.03948
0.00000
38
0.05939
0.03948
0.00000
39
0.08172
-0.06327
0.00000
40
-0.08172
-0.06327
0.00000
41
0.08172
0.06327
0.00000
42
-0.08172
0.06327
0.00000