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
0.00000
0.02499
0.00000
2
0.00000
-0.02499
0.00000
3
0.03967
0.00517
0.00000
4
0.03967
-0.00517
0.00000
5
-0.03967
0.00517
0.00000
6
-0.03967
-0.00517
0.00000
7
-0.01645
0.00315
0.00000
8
-0.01645
-0.00315
0.00000
9
0.01645
0.00315
0.00000
10
0.01645
-0.00315
0.00000
11
0.00871
-0.04270
0.00000
12
0.00871
0.04270
0.00000
13
-0.00871
-0.04270
0.00000
14
-0.00871
0.04270
0.00000
15
0.00000
0.00081
0.00000
16
0.00000
-0.00081
0.00000
17
-0.01515
0.02405
0.00000
18
-0.01515
-0.02405
0.00000
19
0.01515
0.02405
0.00000
20
0.01515
-0.02405
0.00000
21
-0.01798
-0.01349
0.00000
22
-0.01798
0.01349
0.00000
23
0.01798
-0.01349
0.00000
24
0.01798
0.01349
0.00000
25
0.00678
-0.00405
0.00000
26
0.00678
0.00405
0.00000
27
-0.00678
-0.00405
0.00000
28
-0.00678
0.00405
0.00000
29
0.00000
0.18780
0.00000
30
0.00000
-0.18780
0.00000
31
-0.02070
0.31676
0.00000
32
-0.02070
-0.31676
0.00000
33
0.02070
0.31676
0.00000
34
0.02070
-0.31676
0.00000
35
-0.15891
-0.09443
0.00000
36
-0.15891
0.09443
0.00000
37
0.15891
-0.09443
0.00000
38
0.15891
0.09443
0.00000
39
0.15340
-0.08270
0.00000
40
0.15340
0.08270
0.00000
41
-0.15340
-0.08270
0.00000
42
-0.15340
0.08270
0.00000