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)
-2.21700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00009
-0.00003
2
0.00000
0.00009
0.00003
3
0.00000
0.00026
-0.00017
4
0.00000
0.00019
0.00008
5
0.00000
0.00019
-0.00008
6
0.00000
0.00026
0.00017
7
0.00000
-0.00050
-0.00024
8
0.00000
-0.00011
-0.00021
9
0.00000
-0.00011
0.00021
10
0.00000
-0.00050
0.00024
11
0.00000
0.00088
0.00016
12
0.00000
0.00445
-0.00680
13
0.00000
0.00445
0.00680
14
0.00000
0.00088
-0.00016
15
0.00000
-0.00009
0.00009
16
0.00000
-0.00009
-0.00009
17
0.00000
0.01521
0.00138
18
0.00000
0.01093
0.00026
19
0.00000
0.01093
-0.00026
20
0.00000
0.01521
-0.00138
21
0.00000
0.01976
-0.03293
22
0.00000
0.00418
-0.00772
23
0.00000
0.00418
0.00772
24
0.00000
0.01976
0.03293
25
0.00000
0.03328
0.00001
26
0.00000
0.03328
-0.00001
27
0.00000
0.00561
-0.01058
28
0.00000
0.00561
0.01058
29
0.00000
-0.17655
-0.00159
30
0.00000
-0.13141
-0.00062
31
0.00000
-0.13141
0.00062
32
0.00000
-0.17655
0.00159
33
0.00000
-0.23644
0.38814
34
0.00000
-0.05223
0.08940
35
0.00000
-0.05223
-0.08940
36
0.00000
-0.23644
-0.38814
37
0.00000
-0.06966
0.11930
38
0.00000
-0.05093
0.08615
39
0.00000
-0.05093
-0.08615
40
0.00000
-0.06966
-0.11930
41
0.00000
-0.40363
-0.00323
42
0.00000
-0.40363
0.00323