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)
0.20200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00779
-0.09016
2
0.00000
-0.00779
0.09016
3
0.00000
-0.05353
-0.05321
4
0.00000
0.07741
0.04222
5
0.00000
0.07741
-0.04222
6
0.00000
-0.05353
0.05321
7
0.00000
-0.00090
-0.02518
8
0.00000
0.02658
0.00451
9
0.00000
0.02658
-0.00451
10
0.00000
-0.00090
0.02518
11
0.00000
-0.02541
-0.00934
12
0.00000
-0.00914
0.02241
13
0.00000
-0.00914
-0.02241
14
0.00000
-0.02541
0.00934
15
0.00000
-0.02284
-0.02283
16
0.00000
-0.02284
0.02283
17
0.00000
0.05197
0.02497
18
0.00000
-0.07586
-0.00950
19
0.00000
-0.07586
0.00950
20
0.00000
0.05197
-0.02497
21
0.00000
0.03048
0.02977
22
0.00000
0.00999
-0.05470
23
0.00000
0.00999
0.05470
24
0.00000
0.03048
-0.02977
25
0.00000
-0.01712
0.00738
26
0.00000
-0.01712
-0.00738
27
0.00000
0.01102
0.00003
28
0.00000
0.01102
-0.00003
29
0.00000
0.05214
0.05436
30
0.00000
-0.07605
0.02523
31
0.00000
-0.07605
-0.02523
32
0.00000
0.05214
-0.05436
33
0.00000
0.03660
0.03239
34
0.00000
0.03803
-0.03828
35
0.00000
0.03803
0.03828
36
0.00000
0.03660
-0.03239
37
0.00000
0.02146
0.00650
38
0.00000
0.00588
0.03053
39
0.00000
0.00588
-0.03053
40
0.00000
0.02146
-0.00650
41
0.00000
-0.01684
0.03895
42
0.00000
-0.01684
-0.03895