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)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
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
0.00401
0.00000
0.00000
2
-0.00401
0.00000
0.00000
3
-0.01369
0.00000
0.00000
4
-0.00010
0.00000
0.00000
5
0.00010
0.00000
0.00000
6
0.01369
0.00000
0.00000
7
0.03682
0.00000
0.00000
8
0.00240
0.00000
0.00000
9
-0.00240
0.00000
0.00000
10
-0.03682
0.00000
0.00000
11
-0.07041
0.00000
0.00000
12
-0.00045
0.00000
0.00000
13
0.00045
0.00000
0.00000
14
0.07041
0.00000
0.00000
15
-0.00743
0.00000
0.00000
16
0.00743
0.00000
0.00000
17
0.00756
0.00000
0.00000
18
-0.00238
0.00000
0.00000
19
0.00238
0.00000
0.00000
20
-0.00756
0.00000
0.00000
21
-0.01301
0.00000
0.00000
22
-0.00348
0.00000
0.00000
23
0.00348
0.00000
0.00000
24
0.01301
0.00000
0.00000
25
0.09970
0.00000
0.00000
26
-0.09970
0.00000
0.00000
27
0.02656
0.00000
0.00000
28
-0.02656
0.00000
0.00000
29
-0.00495
0.00000
0.00000
30
0.01080
0.00000
0.00000
31
-0.01080
0.00000
0.00000
32
0.00495
0.00000
0.00000
33
-0.01037
0.00000
0.00000
34
0.02291
0.00000
0.00000
35
-0.02291
0.00000
0.00000
36
0.01037
0.00000
0.00000
37
-0.26340
0.00000
0.00000
38
-0.00444
0.00000
0.00000
39
0.00444
0.00000
0.00000
40
0.26340
0.00000
0.00000
41
-0.46686
0.00000
0.00000
42
0.46686
0.00000
0.00000