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
0.00003
0.00000
0.00000
2
-0.00003
0.00000
0.00000
3
-0.00043
0.00007
0.00000
4
0.00043
0.00007
0.00000
5
-0.00043
-0.00007
0.00000
6
0.00043
-0.00007
0.00000
7
0.00001
0.00000
0.00000
8
-0.00001
0.00000
0.00000
9
0.00001
0.00000
0.00000
10
-0.00001
0.00000
0.00000
11
-0.00061
0.00105
0.00000
12
0.00061
0.00105
0.00000
13
-0.00061
-0.00105
0.00000
14
0.00061
-0.00105
0.00000
15
0.00656
0.00000
0.00000
16
-0.00656
0.00000
0.00000
17
0.03959
0.00044
0.00000
18
-0.03959
0.00044
0.00000
19
0.03959
-0.00044
0.00000
20
-0.03960
-0.00044
0.00000
21
-0.00730
0.00969
0.00000
22
0.00731
0.00969
0.00000
23
-0.00731
-0.00969
0.00000
24
0.00731
-0.00969
0.00000
25
-0.00060
-0.00173
0.00000
26
0.00060
-0.00173
0.00000
27
-0.00060
0.00173
0.00000
28
0.00060
0.00173
0.00000
29
-0.07512
0.00000
0.00000
30
0.07513
0.00000
0.00000
31
-0.45039
-0.00625
0.00000
32
0.45046
-0.00625
0.00000
33
-0.45042
0.00625
0.00000
34
0.45047
0.00625
0.00000
35
0.07434
-0.12485
0.00000
36
-0.07436
-0.12487
0.00000
37
0.07435
0.12486
0.00000
38
-0.07436
0.12488
0.00000
39
0.00987
0.01878
0.00000
40
-0.00988
0.01878
0.00000
41
0.00987
-0.01878
0.00000
42
-0.00988
-0.01878
0.00000