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)
0.00000
Diff mu Z
(Debye)
-1.13100
Eigenvectors
#
X
Y
Z
1
0.00000
0.05720
0.02796
2
0.00000
-0.05720
0.02796
3
0.00000
0.00570
0.00895
4
0.00000
-0.03065
-0.05234
5
0.00000
0.03065
-0.05234
6
0.00000
-0.00570
0.00895
7
0.00000
-0.00051
-0.03416
8
0.00000
-0.00630
0.07054
9
0.00000
0.00630
0.07054
10
0.00000
0.00051
-0.03416
11
0.00000
-0.00699
0.01509
12
0.00000
-0.01823
-0.01882
13
0.00000
0.01823
-0.01882
14
0.00000
0.00699
0.01509
15
0.00000
-0.12039
-0.00148
16
0.00000
0.12039
-0.00148
17
0.00000
0.01983
-0.02418
18
0.00000
-0.02112
0.01208
19
0.00000
0.02112
0.01208
20
0.00000
-0.01983
-0.02418
21
0.00000
0.02105
0.03211
22
0.00000
-0.01457
-0.03092
23
0.00000
0.01457
-0.03092
24
0.00000
-0.02105
0.03212
25
0.00000
0.00042
-0.00492
26
0.00000
-0.00042
-0.00492
27
0.00000
0.01431
0.00278
28
0.00000
-0.01431
0.00278
29
0.00000
0.01975
-0.14759
30
0.00000
-0.02020
0.15817
31
0.00000
0.02020
0.15816
32
0.00000
-0.01974
-0.14759
33
0.00000
-0.09776
-0.04232
34
0.00000
0.15269
0.06778
35
0.00000
-0.15268
0.06778
36
0.00000
0.09777
-0.04232
37
0.00000
-0.01828
-0.01782
38
0.00000
-0.05356
-0.03952
39
0.00000
0.05355
-0.03951
40
0.00000
0.01828
-0.01782
41
0.00000
0.00066
-0.01076
42
0.00000
-0.00066
-0.01076