Charge: 2
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+2
Electronic States
Energy
(eV)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.83700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00089
-0.03600
2
0.00000
0.00089
0.03600
3
0.00000
-0.03982
-0.00196
4
0.00000
0.03362
0.03188
5
0.00000
0.03362
-0.03188
6
0.00000
-0.03982
0.00196
7
0.00000
0.05240
0.07997
8
0.00000
-0.02234
-0.01183
9
0.00000
-0.02234
0.01183
10
0.00000
0.05240
-0.07997
11
0.00000
0.02116
0.01609
12
0.00000
0.00215
-0.02298
13
0.00000
0.00215
0.02298
14
0.00000
0.02116
-0.01609
15
0.00000
-0.00393
-0.03263
16
0.00000
-0.00393
0.03263
17
0.00000
-0.04401
0.02063
18
0.00000
0.03016
-0.03995
19
0.00000
0.03016
0.03995
20
0.00000
-0.04401
-0.02063
21
0.00000
0.00927
-0.05740
22
0.00000
-0.00869
0.03909
23
0.00000
-0.00869
-0.03909
24
0.00000
0.00927
0.05740
25
0.00000
-0.05504
0.01144
26
0.00000
-0.05504
-0.01144
27
0.00000
0.03543
-0.07654
28
0.00000
0.03543
0.07654
29
0.00000
-0.04640
0.09916
30
0.00000
0.03170
-0.11424
31
0.00000
0.03170
0.11425
32
0.00000
-0.04640
-0.09916
33
0.00000
-0.01622
-0.07442
34
0.00000
-0.03385
0.02669
35
0.00000
-0.03385
-0.02669
36
0.00000
-0.01622
0.07442
37
0.00000
0.00146
-0.10064
38
0.00000
-0.01578
-0.03335
39
0.00000
-0.01578
0.03335
40
0.00000
0.00146
0.10064
41
0.00000
-0.05512
0.06519
42
0.00000
-0.05512
-0.06519