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)
-0.21200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06848
0.00000
0.00000
2
-0.06848
0.00000
0.00000
3
0.01455
0.01902
0.00000
4
0.01455
-0.01902
0.00000
5
0.01455
-0.01902
0.00000
6
0.01455
0.01902
0.00000
7
0.07227
0.00240
0.00000
8
0.07227
-0.00240
0.00000
9
0.07227
-0.00240
0.00000
10
0.07227
0.00240
0.00000
11
0.01120
-0.01097
0.00000
12
0.01120
0.01097
0.00000
13
0.01120
0.01097
0.00000
14
0.01120
-0.01097
0.00000
15
-0.07437
0.00000
0.00000
16
-0.07437
0.00000
0.00000
17
0.05171
-0.00175
0.00000
18
0.05171
0.00175
0.00000
19
0.05171
0.00175
0.00000
20
0.05171
-0.00175
0.00000
21
-0.04372
0.04350
0.00000
22
-0.04372
-0.04350
0.00000
23
-0.04372
-0.04350
0.00000
24
-0.04372
0.04350
0.00000
25
-0.02696
-0.03217
0.00000
26
-0.02696
0.03217
0.00000
27
-0.02696
0.03217
0.00000
28
-0.02696
-0.03217
0.00000
29
-0.07555
0.00000
0.00000
30
-0.07555
0.00000
0.00000
31
0.05387
-0.06191
0.00000
32
0.05387
0.06191
0.00000
33
0.05387
0.06191
0.00000
34
0.05387
-0.06191
0.00000
35
-0.06163
0.03429
0.00000
36
-0.06163
-0.03429
0.00000
37
-0.06163
-0.03429
0.00000
38
-0.06163
0.03429
0.00000
39
-0.04534
-0.02111
0.00000
40
-0.04534
0.02111
0.00000
41
-0.04534
0.02111
0.00000
42
-0.04534
-0.02111
0.00000