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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
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)
-0.15400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00753
-0.00559
2
0.00000
0.00753
-0.00559
3
0.00000
0.00573
-0.01614
4
0.00000
-0.00372
0.00111
5
0.00000
0.00372
0.00111
6
0.00000
-0.00573
-0.01614
7
0.00000
0.01372
-0.01086
8
0.00000
-0.01608
0.00098
9
0.00000
0.01608
0.00098
10
0.00000
-0.01372
-0.01086
11
0.00000
-0.02964
0.05465
12
0.00000
0.00399
-0.03752
13
0.00000
-0.00399
-0.03752
14
0.00000
0.02964
0.05465
15
0.00000
-0.01036
0.00588
16
0.00000
0.01036
0.00588
17
0.00000
-0.03800
-0.04015
18
0.00000
0.01383
0.04613
19
0.00000
-0.01383
0.04613
20
0.00000
0.03800
-0.04015
21
0.00000
0.00700
-0.07308
22
0.00000
-0.01557
0.07138
23
0.00000
0.01557
0.07138
24
0.00000
-0.00700
-0.07308
25
0.00000
-0.11899
0.02692
26
0.00000
0.11899
0.02692
27
0.00000
-0.00974
-0.02833
28
0.00000
0.00974
-0.02833
29
0.00000
-0.03831
-0.03193
30
0.00000
0.01413
0.03579
31
0.00000
-0.01413
0.03579
32
0.00000
0.03831
-0.03193
33
0.00000
0.00406
-0.07451
34
0.00000
0.00674
0.08344
35
0.00000
-0.00674
0.08344
36
0.00000
-0.00406
-0.07451
37
0.00000
0.07692
0.02633
38
0.00000
0.02464
-0.02584
39
0.00000
-0.02464
-0.02584
40
0.00000
-0.07692
0.02633
41
0.00000
-0.11908
0.04174
42
0.00000
0.11908
0.04174