Charge: 2
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+2
Electronic States
Energy
(eV)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.42300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02012
-0.00651
2
0.00000
0.02012
0.00651
3
0.00000
-0.03789
0.00736
4
0.00000
-0.04682
0.01325
5
0.00000
-0.04682
-0.01325
6
0.00000
-0.03789
-0.00736
7
0.00000
0.01649
-0.01013
8
0.00000
0.01747
-0.00702
9
0.00000
0.01747
0.00702
10
0.00000
0.01649
0.01012
11
0.00000
0.00416
0.03471
12
0.00000
-0.00415
0.01213
13
0.00000
-0.00415
-0.01213
14
0.00000
0.00416
-0.03471
15
0.00000
0.06220
0.00969
16
0.00000
0.06220
-0.00970
17
0.00000
-0.04916
-0.01811
18
0.00000
-0.04770
-0.00694
19
0.00000
-0.04770
0.00694
20
0.00000
-0.04916
0.01810
21
0.00000
0.02309
0.02556
22
0.00000
0.02174
0.01108
23
0.00000
0.02174
-0.01108
24
0.00000
0.02309
-0.02556
25
0.00000
0.01034
0.02057
26
0.00000
0.01034
-0.02057
27
0.00000
-0.01101
-0.02133
28
0.00000
-0.01101
0.02133
29
0.00000
-0.05304
-0.23525
30
0.00000
-0.05280
-0.16047
31
0.00000
-0.05280
0.16045
32
0.00000
-0.05303
0.23524
33
0.00000
0.22908
0.15726
34
0.00000
0.23736
0.13922
35
0.00000
0.23735
-0.13921
36
0.00000
0.22907
-0.15725
37
0.00000
-0.11344
-0.08328
38
0.00000
-0.01059
0.00905
39
0.00000
-0.01058
-0.00905
40
0.00000
-0.11344
0.08328
41
0.00000
0.01490
0.13392
42
0.00000
0.01490
-0.13392