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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00579
0.00000
0.00000
2
-0.00579
0.00000
0.00000
3
0.00845
0.00000
0.00000
4
0.01327
0.00000
0.00000
5
-0.01327
0.00000
0.00000
6
-0.00845
0.00000
0.00000
7
-0.05046
0.00000
0.00000
8
-0.03946
0.00000
0.00000
9
0.03946
0.00000
0.00000
10
0.05046
0.00000
0.00000
11
0.03449
0.00000
0.00000
12
0.01222
0.00000
0.00000
13
-0.01222
0.00000
0.00000
14
-0.03449
0.00000
0.00000
15
-0.01063
0.00000
0.00000
16
0.01062
0.00000
0.00000
17
0.05091
0.00000
0.00000
18
0.04030
0.00000
0.00000
19
-0.04030
0.00000
0.00000
20
-0.05091
0.00000
0.00000
21
0.04678
0.00000
0.00000
22
0.03042
0.00000
0.00000
23
-0.03042
0.00000
0.00000
24
-0.04678
0.00000
0.00000
25
0.00990
0.00000
0.00000
26
-0.00990
0.00000
0.00000
27
0.00581
0.00000
0.00000
28
-0.00581
0.00000
0.00000
29
-0.31996
0.00000
0.00000
30
-0.28301
0.00000
0.00000
31
0.28301
0.00000
0.00000
32
0.31995
0.00000
0.00000
33
-0.30889
0.00000
0.00000
34
-0.20753
0.00000
0.00000
35
0.20753
0.00000
0.00000
36
0.30888
0.00000
0.00000
37
-0.03111
0.00000
0.00000
38
0.06518
0.00000
0.00000
39
-0.06518
0.00000
0.00000
40
0.03111
0.00000
0.00000
41
-0.10786
0.00000
0.00000
42
0.10786
0.00000
0.00000