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)
-0.05200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00006
0.00004
2
0.00000
-0.00006
-0.00004
3
0.00000
-0.00014
0.00024
4
0.00000
0.00000
0.00001
5
0.00000
0.00000
-0.00001
6
0.00000
-0.00014
-0.00024
7
0.00000
-0.00141
0.00006
8
0.00000
-0.00003
-0.00002
9
0.00000
-0.00003
0.00002
10
0.00000
-0.00141
-0.00006
11
0.00000
0.00133
-0.00166
12
0.00000
0.00001
0.00001
13
0.00000
0.00001
-0.00001
14
0.00000
0.00133
0.00166
15
0.00000
-0.00016
0.00040
16
0.00000
-0.00016
-0.00040
17
0.00000
0.00692
0.00087
18
0.00000
0.00025
-0.00003
19
0.00000
0.00024
0.00003
20
0.00000
0.00692
-0.00087
21
0.00000
0.01488
-0.02408
22
0.00000
0.00003
0.00003
23
0.00000
0.00003
-0.00003
24
0.00000
0.01488
0.02408
25
0.00000
-0.04801
0.00086
26
0.00000
-0.04801
-0.00086
27
0.00000
-0.00841
0.01836
28
0.00000
-0.00841
-0.01836
29
0.00000
-0.07201
-0.00108
30
0.00000
-0.00274
0.00019
31
0.00000
-0.00274
-0.00019
32
0.00000
-0.07201
0.00108
33
0.00000
-0.16886
0.26729
34
0.00000
-0.00003
0.00015
35
0.00000
-0.00002
-0.00013
36
0.00000
-0.16886
-0.26729
37
0.00000
0.11147
-0.19324
38
0.00000
0.00000
0.00001
39
0.00000
0.00000
-0.00001
40
0.00000
0.11147
0.19324
41
0.00000
0.54643
-0.01027
42
0.00000
0.54643
0.01027