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)
-1074.10796
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)
0.00789 b
(cm-1)
0.00764 c
(cm-1)
0.00388
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)
0.39600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02884
0.00000
0.00000
2
-0.02884
0.00000
0.00000
3
0.02624
-0.02856
0.00000
4
0.02624
0.02856
0.00000
5
0.02624
0.02856
0.00000
6
0.02624
-0.02856
0.00000
7
0.00406
0.04673
0.00000
8
0.00407
-0.04673
0.00000
9
0.00406
-0.04673
0.00000
10
0.00407
0.04673
0.00000
11
-0.02566
-0.05107
0.00000
12
-0.02566
0.05106
0.00000
13
-0.02566
0.05107
0.00000
14
-0.02566
-0.05106
0.00000
15
0.02868
0.00000
0.00000
16
0.02868
0.00000
0.00000
17
-0.01930
0.04419
0.00000
18
-0.01929
-0.04418
0.00000
19
-0.01930
-0.04419
0.00000
20
-0.01929
0.04418
0.00000
21
0.05778
0.01135
0.00000
22
0.05777
-0.01134
0.00000
23
0.05778
-0.01135
0.00000
24
0.05777
0.01134
0.00000
25
-0.03310
-0.01622
0.00000
26
-0.03309
0.01622
0.00000
27
-0.03310
0.01622
0.00000
28
-0.03309
-0.01622
0.00000
29
0.03168
0.00000
0.00000
30
0.03168
0.00000
0.00000
31
-0.01936
-0.18517
0.00000
32
-0.01936
0.18515
0.00000
33
-0.01936
0.18517
0.00000
34
-0.01936
-0.18515
0.00000
35
-0.14194
-0.10569
0.00000
36
-0.14192
0.10568
0.00000
37
-0.14195
0.10570
0.00000
38
-0.14192
-0.10568
0.00000
39
0.02691
-0.05369
0.00000
40
0.02692
0.05369
0.00000
41
0.02691
0.05369
0.00000
42
0.02692
-0.05369
0.00000