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)
0.13400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00018
0.00003
2
0.00000
-0.00018
0.00003
3
0.00000
-0.00001
0.00010
4
0.00000
-0.00015
-0.00019
5
0.00000
0.00015
-0.00019
6
0.00000
0.00001
0.00010
7
0.00000
0.00037
0.00005
8
0.00000
-0.00148
-0.00075
9
0.00000
0.00148
-0.00075
10
0.00000
-0.00037
0.00005
11
0.00000
-0.00010
0.00034
12
0.00000
-0.00934
0.01364
13
0.00000
0.00934
0.01364
14
0.00000
0.00010
0.00034
15
0.00000
-0.00042
0.00110
16
0.00000
0.00042
0.00110
17
0.00000
0.04236
0.00044
18
0.00000
-0.01264
0.00049
19
0.00000
0.01264
0.00049
20
0.00000
-0.04236
0.00044
21
0.00000
-0.00825
0.01086
22
0.00000
0.01477
-0.02572
23
0.00000
-0.01477
-0.02572
24
0.00000
0.00825
0.01086
25
0.00000
0.00858
-0.00051
26
0.00000
-0.00858
-0.00051
27
0.00000
-0.00327
0.00459
28
0.00000
0.00327
0.00459
29
0.00000
-0.49117
-0.00148
30
0.00000
0.15650
-0.00174
31
0.00000
-0.15650
-0.00174
32
0.00000
0.49117
-0.00148
33
0.00000
0.08820
-0.14061
34
0.00000
-0.17105
0.29667
35
0.00000
0.17105
0.29667
36
0.00000
-0.08820
-0.14061
37
0.00000
0.03355
-0.05628
38
0.00000
0.09096
-0.15234
39
0.00000
-0.09096
-0.15234
40
0.00000
-0.03355
-0.05628
41
0.00000
-0.09621
0.00249
42
0.00000
0.09621
0.00249