Charge: 1
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+1
Electronic States
Energy
(eV)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
1.97500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.07831
0.00141
2
0.00000
-0.07831
-0.00141
3
0.00000
0.01610
0.09094
4
0.00000
0.02481
0.06381
5
0.00000
0.02481
-0.06381
6
0.00000
0.01610
-0.09094
7
0.00000
0.00144
-0.07325
8
0.00000
-0.00054
-0.01603
9
0.00000
-0.00054
0.01603
10
0.00000
0.00144
0.07325
11
0.00000
0.01654
0.04313
12
0.00000
-0.00470
-0.01322
13
0.00000
-0.00470
0.01322
14
0.00000
0.01654
-0.04313
15
0.00000
0.03295
-0.00480
16
0.00000
0.03295
0.00480
17
0.00000
0.02836
0.03787
18
0.00000
0.01643
0.02987
19
0.00000
0.01643
-0.02987
20
0.00000
0.02836
-0.03787
21
0.00000
-0.04935
-0.02989
22
0.00000
-0.02676
-0.02705
23
0.00000
-0.02676
0.02705
24
0.00000
-0.04935
0.02989
25
0.00000
-0.00817
0.01975
26
0.00000
-0.00817
-0.01975
27
0.00000
0.01360
-0.00464
28
0.00000
0.01360
0.00464
29
0.00000
0.03144
0.04001
30
0.00000
0.01799
0.00295
31
0.00000
0.01799
-0.00295
32
0.00000
0.03144
-0.04001
33
0.00000
0.09932
0.05775
34
0.00000
0.07396
0.02896
35
0.00000
0.07396
-0.02896
36
0.00000
0.09932
-0.05775
37
0.00000
-0.08221
-0.06102
38
0.00000
0.07806
0.03679
39
0.00000
0.07806
-0.03679
40
0.00000
-0.08221
0.06102
41
0.00000
-0.00902
-0.10997
42
0.00000
-0.00902
0.10997