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)
-1073.55865
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)
0.00795 b
(cm-1)
0.00762 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
0.00001
0.00000
-0.11370
2
0.00001
0.00000
0.11370
3
0.00001
0.00000
0.07628
4
0.00001
0.00000
-0.07628
5
0.00001
0.00000
0.07628
6
0.00001
0.00000
-0.07628
7
0.00001
0.00000
-0.01011
8
0.00001
0.00000
0.01011
9
0.00001
0.00000
-0.01011
10
0.00001
0.00000
0.01011
11
0.00000
0.00000
-0.02221
12
0.00000
0.00000
0.02221
13
0.00000
0.00000
-0.02221
14
0.00000
0.00000
0.02221
15
-0.00001
0.00000
0.01576
16
-0.00001
0.00000
-0.01576
17
-0.00001
0.00000
-0.01841
18
-0.00001
0.00000
0.01841
19
-0.00001
0.00000
-0.01841
20
-0.00001
0.00000
0.01841
21
0.00000
0.00000
-0.01790
22
0.00000
0.00000
0.01790
23
0.00000
0.00000
-0.01790
24
0.00000
0.00000
0.01790
25
0.00000
0.00000
-0.02311
26
0.00000
0.00000
0.02311
27
0.00000
0.00000
-0.02311
28
0.00000
0.00000
0.02311
29
-0.00001
0.00000
0.00102
30
-0.00001
0.00000
-0.00102
31
-0.00001
0.00000
0.16196
32
-0.00001
0.00000
-0.16196
33
-0.00001
0.00000
0.16196
34
-0.00001
0.00000
-0.16196
35
0.00000
0.00000
0.17718
36
0.00000
0.00000
-0.17718
37
0.00000
0.00000
0.17718
38
0.00000
0.00000
-0.17718
39
-0.00001
0.00001
0.14638
40
-0.00001
-0.00001
-0.14638
41
-0.00001
-0.00001
0.14638
42
-0.00001
0.00001
-0.14638