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)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00129
0.00000
0.00000
2
0.00129
0.00000
0.00000
3
0.00250
0.00000
0.00000
4
0.00116
0.00000
0.00000
5
-0.00116
0.00000
0.00000
6
-0.00250
0.00000
0.00000
7
0.00757
0.00000
0.00000
8
0.00806
0.00000
0.00000
9
-0.00806
0.00000
0.00000
10
-0.00757
0.00000
0.00000
11
-0.00374
0.00000
0.00000
12
-0.07137
0.00000
0.00000
13
0.07137
0.00000
0.00000
14
0.00374
0.00000
0.00000
15
-0.02355
0.00000
0.00000
16
0.02356
0.00000
0.00000
17
0.06224
0.00000
0.00000
18
-0.03409
0.00000
0.00000
19
0.03409
0.00000
0.00000
20
-0.06224
0.00000
0.00000
21
-0.04801
0.00000
0.00000
22
0.01380
0.00000
0.00000
23
-0.01380
0.00000
0.00000
24
0.04801
0.00000
0.00000
25
0.00199
0.00000
0.00000
26
-0.00199
0.00000
0.00000
27
-0.01332
0.00000
0.00000
28
0.01332
0.00000
0.00000
29
-0.30819
0.00000
0.00000
30
0.16591
0.00000
0.00000
31
-0.16590
0.00000
0.00000
32
0.30819
0.00000
0.00000
33
0.22116
0.00000
0.00000
34
-0.05837
0.00000
0.00000
35
0.05837
0.00000
0.00000
36
-0.22116
0.00000
0.00000
37
0.06329
0.00000
0.00000
38
0.39539
0.00000
0.00000
39
-0.39539
0.00000
0.00000
40
-0.06328
0.00000
0.00000
41
0.01175
0.00000
0.00000
42
-0.01175
0.00000
0.00000