Charge: 0
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
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)
-0.91300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00932
-0.01233
2
0.00000
0.00932
0.01233
3
0.00000
-0.02238
-0.00488
4
0.00000
-0.03833
0.01255
5
0.00000
-0.03833
-0.01255
6
0.00000
-0.02238
0.00488
7
0.00000
0.00737
0.01091
8
0.00000
0.01113
-0.01633
9
0.00000
0.01113
0.01633
10
0.00000
0.00737
-0.01091
11
0.00000
-0.00641
0.01715
12
0.00000
-0.00626
0.01781
13
0.00000
-0.00626
-0.01781
14
0.00000
-0.00641
-0.01715
15
0.00000
0.04365
0.00251
16
0.00000
0.04365
-0.00251
17
0.00000
-0.02570
0.00913
18
0.00000
-0.04399
-0.03282
19
0.00000
-0.04399
0.03282
20
0.00000
-0.02570
-0.00913
21
0.00000
0.00735
-0.01537
22
0.00000
0.02918
0.03741
23
0.00000
0.02918
-0.03741
24
0.00000
0.00735
0.01537
25
0.00000
0.02265
0.02105
26
0.00000
0.02265
-0.02105
27
0.00000
-0.01042
-0.01813
28
0.00000
-0.01042
0.01813
29
0.00000
-0.02582
0.00250
30
0.00000
-0.04632
-0.33373
31
0.00000
-0.04632
0.33373
32
0.00000
-0.02582
-0.00250
33
0.00000
0.09212
0.03917
34
0.00000
0.35074
0.22502
35
0.00000
0.35074
-0.22502
36
0.00000
0.09212
-0.03917
37
0.00000
-0.13432
-0.09239
38
0.00000
0.01100
0.02912
39
0.00000
0.01100
-0.02912
40
0.00000
-0.13432
0.09239
41
0.00000
0.02470
0.11109
42
0.00000
0.02470
-0.11109