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)
-1073.90161
Description
D0
Multiplicity
2
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)
0.00793 b
(cm-1)
0.00763 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)
-1.65800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00010
0.00000
0.00000
2
0.00010
0.00000
0.00000
3
0.00027
0.00019
0.00000
4
0.00027
-0.00019
0.00000
5
0.00027
-0.00019
0.00000
6
0.00027
0.00019
0.00000
7
-0.00054
0.00116
0.00000
8
-0.00054
-0.00116
0.00000
9
-0.00054
-0.00116
0.00000
10
-0.00054
0.00116
0.00000
11
0.00012
-0.00087
0.00000
12
0.00012
0.00087
0.00000
13
0.00012
0.00087
0.00000
14
0.00012
-0.00087
0.00000
15
0.01140
0.00000
0.00000
16
0.01140
0.00000
0.00000
17
-0.00753
-0.00091
0.00000
18
-0.00753
0.00091
0.00000
19
-0.00753
0.00091
0.00000
20
-0.00753
-0.00091
0.00000
21
-0.01216
0.02442
0.00000
22
-0.01216
-0.02442
0.00000
23
-0.01216
-0.02442
0.00000
24
-0.01216
0.02442
0.00000
25
-0.01272
-0.02630
0.00000
26
-0.01272
0.02630
0.00000
27
-0.01272
0.02630
0.00000
28
-0.01272
-0.02630
0.00000
29
-0.13565
0.00000
0.00000
30
-0.13565
0.00000
0.00000
31
0.07535
0.00151
0.00000
32
0.07535
-0.00151
0.00000
33
0.07535
-0.00151
0.00000
34
0.07535
0.00151
0.00000
35
0.15427
-0.27200
0.00000
36
0.15427
0.27200
0.00000
37
0.15427
0.27200
0.00000
38
0.15427
-0.27200
0.00000
39
0.15752
0.30011
0.00000
40
0.15752
-0.30011
0.00000
41
0.15752
-0.30011
0.00000
42
0.15752
0.30011
0.00000