Charge: 1
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+1
Electronic States
Energy
(eV)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
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
0.00173
0.00000
0.00000
2
-0.00173
0.00000
0.00000
3
-0.00358
0.00000
0.00000
4
-0.00046
0.00000
0.00000
5
0.00046
0.00000
0.00000
6
0.00358
0.00000
0.00000
7
-0.00020
0.00000
0.00000
8
-0.00063
0.00000
0.00000
9
0.00063
0.00000
0.00000
10
0.00020
0.00000
0.00000
11
0.00496
0.00000
0.00000
12
0.00565
0.00000
0.00000
13
-0.00565
0.00000
0.00000
14
-0.00496
0.00000
0.00000
15
-0.00091
0.00000
0.00000
16
0.00091
0.00000
0.00000
17
-0.00960
0.00000
0.00000
18
0.00049
0.00000
0.00000
19
-0.00049
0.00000
0.00000
20
0.00960
0.00000
0.00000
21
0.01788
0.00000
0.00000
22
0.00071
0.00000
0.00000
23
-0.00071
0.00000
0.00000
24
-0.01788
0.00000
0.00000
25
0.04755
0.00000
0.00000
26
-0.04755
0.00000
0.00000
27
-0.08240
0.00000
0.00000
28
0.08240
0.00000
0.00000
29
0.06188
0.00000
0.00000
30
-0.00186
0.00000
0.00000
31
0.00186
0.00000
0.00000
32
-0.06188
0.00000
0.00000
33
-0.12892
0.00000
0.00000
34
-0.00285
0.00000
0.00000
35
0.00285
0.00000
0.00000
36
0.12892
0.00000
0.00000
37
0.51151
0.00000
0.00000
38
-0.03494
0.00000
0.00000
39
0.03494
0.00000
0.00000
40
-0.51151
0.00000
0.00000
41
-0.31502
0.00000
0.00000
42
0.31502
0.00000
0.00000