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)
0.53500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01065
0.00000
0.00000
2
-0.01065
0.00000
0.00000
3
-0.00297
0.00000
0.00000
4
0.01109
0.00000
0.00000
5
0.01109
0.00000
0.00000
6
-0.00297
0.00000
0.00000
7
0.05428
0.00000
0.00000
8
-0.03838
0.00000
0.00000
9
-0.03838
0.00000
0.00000
10
0.05428
0.00000
0.00000
11
-0.02789
0.00000
0.00000
12
0.03982
0.00000
0.00000
13
0.03982
0.00000
0.00000
14
-0.02789
0.00000
0.00000
15
0.03501
0.00000
0.00000
16
0.03501
0.00000
0.00000
17
-0.05337
0.00000
0.00000
18
0.00978
0.00000
0.00000
19
0.00978
0.00000
0.00000
20
-0.05337
0.00000
0.00000
21
-0.06149
0.00000
0.00000
22
0.00446
0.00000
0.00000
23
0.00446
0.00000
0.00000
24
-0.06149
0.00000
0.00000
25
0.01011
0.00000
0.00000
26
0.01011
0.00000
0.00000
27
0.00061
0.00000
0.00000
28
0.00061
0.00000
0.00000
29
0.31763
0.00000
0.00000
30
-0.12285
0.00000
0.00000
31
-0.12284
0.00000
0.00000
32
0.31764
0.00000
0.00000
33
0.38005
0.00000
0.00000
34
0.03011
0.00000
0.00000
35
0.03011
0.00000
0.00000
36
0.38005
0.00000
0.00000
37
-0.01708
0.00000
0.00000
38
-0.23387
0.00000
0.00000
39
-0.23387
0.00000
0.00000
40
-0.01708
0.00000
0.00000
41
-0.00175
0.00000
0.00000
42
-0.00175
0.00000
0.00000