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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04463
0.00000
2
0.00000
0.04463
0.00000
3
-0.01152
0.01832
0.00000
4
-0.01152
-0.01832
0.00000
5
0.01152
0.01832
0.00000
6
0.01152
-0.01832
0.00000
7
-0.00865
0.03405
0.00000
8
-0.00865
-0.03405
0.00000
9
0.00865
0.03405
0.00000
10
0.00865
-0.03405
0.00000
11
-0.00159
-0.04054
0.00000
12
-0.00159
0.04055
0.00000
13
0.00160
-0.04054
0.00000
14
0.00160
0.04055
0.00000
15
0.00000
0.08711
0.00000
16
0.00000
-0.08711
0.00000
17
-0.02602
-0.04910
0.00000
18
-0.02602
0.04910
0.00000
19
0.02602
-0.04910
0.00000
20
0.02602
0.04910
0.00000
21
0.04449
0.05783
0.00000
22
0.04449
-0.05783
0.00000
23
-0.04448
0.05783
0.00000
24
-0.04449
-0.05783
0.00000
25
0.00826
-0.03619
0.00000
26
0.00826
0.03619
0.00000
27
-0.00826
-0.03619
0.00000
28
-0.00826
0.03619
0.00000
29
0.00000
-0.14173
0.00000
30
0.00000
0.14174
0.00000
31
-0.03464
0.04371
0.00000
32
-0.03464
-0.04371
0.00000
33
0.03464
0.04371
0.00000
34
0.03464
-0.04371
0.00000
35
-0.11609
-0.02706
0.00000
36
-0.11610
0.02706
0.00000
37
0.11609
-0.02705
0.00000
38
0.11610
0.02706
0.00000
39
-0.08451
0.00894
0.00000
40
-0.08452
-0.00894
0.00000
41
0.08452
0.00894
0.00000
42
0.08452
-0.00894
0.00000