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
0.00000
0.00011
0.00000
2
0.00000
-0.00011
0.00000
3
-0.00031
0.00008
0.00000
4
-0.00031
-0.00008
0.00000
5
0.00031
0.00008
0.00000
6
0.00031
-0.00008
0.00000
7
-0.00001
0.00010
0.00000
8
-0.00001
-0.00010
0.00000
9
0.00001
0.00010
0.00000
10
0.00001
-0.00010
0.00000
11
-0.00046
0.00114
0.00000
12
-0.00046
-0.00114
0.00000
13
0.00046
0.00114
0.00000
14
0.00046
-0.00114
0.00000
15
0.00000
-0.00007
0.00000
16
0.00000
0.00007
0.00000
17
0.03953
0.00040
0.00000
18
0.03953
-0.00040
0.00000
19
-0.03953
0.00040
0.00000
20
-0.03953
-0.00040
0.00000
21
-0.00743
0.01007
0.00000
22
-0.00743
-0.01007
0.00000
23
0.00743
0.01007
0.00000
24
0.00743
-0.01007
0.00000
25
-0.00164
-0.00366
0.00000
26
-0.00164
0.00366
0.00000
27
0.00164
-0.00366
0.00000
28
0.00164
0.00366
0.00000
29
0.00000
-0.00250
0.00000
30
0.00000
0.00250
0.00000
31
-0.45011
-0.00644
0.00000
32
-0.45010
0.00644
0.00000
33
0.45010
-0.00644
0.00000
34
0.45009
0.00644
0.00000
35
0.07689
-0.12945
0.00000
36
0.07689
0.12945
0.00000
37
-0.07689
-0.12945
0.00000
38
-0.07688
0.12945
0.00000
39
0.02113
0.04031
0.00000
40
0.02113
-0.04031
0.00000
41
-0.02113
0.04031
0.00000
42
-0.02113
-0.04031
0.00000