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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01750
0.00000
0.00000
2
-0.01750
0.00000
0.00000
3
0.04747
0.02623
0.00000
4
-0.04747
0.02623
0.00000
5
0.04747
-0.02623
0.00000
6
-0.04747
-0.02623
0.00000
7
0.00349
0.05918
0.00000
8
-0.00349
0.05918
0.00000
9
0.00349
-0.05918
0.00000
10
-0.00349
-0.05918
0.00000
11
0.06424
0.00581
0.00000
12
-0.06424
0.00581
0.00000
13
0.06424
-0.00581
0.00000
14
-0.06424
-0.00581
0.00000
15
0.08552
0.00000
0.00000
16
-0.08552
0.00000
0.00000
17
0.02172
-0.02014
0.00000
18
-0.02172
-0.02014
0.00000
19
0.02172
0.02014
0.00000
20
-0.02172
0.02014
0.00000
21
-0.03095
0.00754
0.00000
22
0.03095
0.00754
0.00000
23
-0.03095
-0.00754
0.00000
24
0.03095
-0.00754
0.00000
25
-0.02908
0.04565
0.00000
26
0.02908
0.04565
0.00000
27
-0.02908
-0.04565
0.00000
28
0.02908
-0.04565
0.00000
29
0.08574
0.00000
0.00000
30
-0.08574
0.00000
0.00000
31
0.02227
-0.06894
0.00000
32
-0.02227
-0.06894
0.00000
33
0.02227
0.06894
0.00000
34
-0.02227
0.06894
0.00000
35
-0.06715
-0.01349
0.00000
36
0.06715
-0.01349
0.00000
37
-0.06715
0.01349
0.00000
38
0.06715
0.01349
0.00000
39
-0.04627
0.05584
0.00000
40
0.04627
0.05584
0.00000
41
-0.04627
-0.05584
0.00000
42
0.04627
-0.05584
0.00000