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)
-0.08100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00331
0.00000
0.00000
2
0.00331
0.00000
0.00000
3
-0.00226
0.00000
0.00000
4
-0.00149
0.00000
0.00000
5
-0.00149
0.00000
0.00000
6
-0.00226
0.00000
0.00000
7
-0.00494
0.00000
0.00000
8
-0.01372
0.00000
0.00000
9
-0.01372
0.00000
0.00000
10
-0.00494
0.00000
0.00000
11
-0.00081
0.00000
0.00000
12
0.00684
0.00000
0.00000
13
0.00683
0.00000
0.00000
14
-0.00081
0.00000
0.00000
15
0.02919
0.00000
0.00000
16
0.02919
0.00000
0.00000
17
-0.06227
0.00000
0.00000
18
-0.06729
0.00000
0.00000
19
-0.06729
0.00000
0.00000
20
-0.06227
0.00000
0.00000
21
0.04439
0.00000
0.00000
22
0.05735
0.00000
0.00000
23
0.05735
0.00000
0.00000
24
0.04439
0.00000
0.00000
25
0.00895
0.00000
0.00000
26
0.00895
0.00000
0.00000
27
-0.00565
0.00000
0.00000
28
-0.00565
0.00000
0.00000
29
0.30657
0.00000
0.00000
30
0.32383
0.00000
0.00000
31
0.32383
0.00000
0.00000
32
0.30658
0.00000
0.00000
33
-0.20458
0.00000
0.00000
34
-0.27030
0.00000
0.00000
35
-0.27030
0.00000
0.00000
36
-0.20458
0.00000
0.00000
37
0.02989
0.00000
0.00000
38
-0.03064
0.00000
0.00000
39
-0.03063
0.00000
0.00000
40
0.02989
0.00000
0.00000
41
-0.05480
0.00000
0.00000
42
-0.05480
0.00000
0.00000