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
0.01267
0.00000
0.00000
2
-0.01267
0.00000
0.00000
3
0.02102
-0.02523
0.00000
4
-0.02102
-0.02523
0.00000
5
0.02102
0.02523
0.00000
6
-0.02102
0.02523
0.00000
7
0.01005
-0.04226
0.00000
8
-0.01005
-0.04226
0.00000
9
0.01005
0.04226
0.00000
10
-0.01005
0.04226
0.00000
11
0.03890
-0.03067
0.00000
12
-0.03890
-0.03067
0.00000
13
0.03890
0.03067
0.00000
14
-0.03890
0.03067
0.00000
15
0.03409
0.00000
0.00000
16
-0.03409
0.00000
0.00000
17
0.02424
-0.06325
0.00000
18
-0.02424
-0.06325
0.00000
19
0.02424
0.06325
0.00000
20
-0.02424
0.06325
0.00000
21
0.01535
-0.07008
0.00000
22
-0.01535
-0.07008
0.00000
23
0.01535
0.07008
0.00000
24
-0.01535
0.07008
0.00000
25
0.00802
-0.05947
0.00000
26
-0.00802
-0.05947
0.00000
27
0.00802
0.05947
0.00000
28
-0.00802
0.05947
0.00000
29
0.03701
0.00000
0.00000
30
-0.03701
0.00000
0.00000
31
0.02665
-0.08060
0.00000
32
-0.02665
-0.08060
0.00000
33
0.02665
0.08060
0.00000
34
-0.02665
0.08060
0.00000
35
0.01342
-0.07435
0.00000
36
-0.01342
-0.07435
0.00000
37
0.01342
0.07435
0.00000
38
-0.01342
0.07435
0.00000
39
-0.00041
-0.05719
0.00000
40
0.00041
-0.05719
0.00000
41
-0.00041
0.05719
0.00000
42
0.00041
0.05719
0.00000