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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
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)
-0.42200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00095
-0.03008
2
0.00000
-0.00095
-0.03008
3
0.00000
0.01281
0.02854
4
0.00000
0.05649
0.02032
5
0.00000
-0.05649
0.02032
6
0.00000
-0.01281
0.02855
7
0.00000
-0.03103
-0.03075
8
0.00000
-0.04053
-0.02448
9
0.00000
0.04054
-0.02449
10
0.00000
0.03103
-0.03075
11
0.00000
0.01173
-0.01096
12
0.00000
-0.00489
0.00628
13
0.00000
0.00488
0.00629
14
0.00000
-0.01173
-0.01096
15
0.00000
0.01407
-0.03034
16
0.00000
-0.01407
-0.03035
17
0.00000
-0.04414
-0.01480
18
0.00000
-0.02843
-0.00841
19
0.00000
0.02843
-0.00840
20
0.00000
0.04414
-0.01479
21
0.00000
0.08013
0.05892
22
0.00000
0.06387
0.04619
23
0.00000
-0.06387
0.04619
24
0.00000
-0.08013
0.05892
25
0.00000
-0.01432
0.02173
26
0.00000
0.01432
0.02173
27
0.00000
0.03644
0.00142
28
0.00000
-0.03644
0.00142
29
0.00000
-0.05163
-0.03782
30
0.00000
-0.03399
-0.05788
31
0.00000
0.03398
-0.05790
32
0.00000
0.05163
-0.03785
33
0.00000
-0.21711
-0.11989
34
0.00000
-0.15973
-0.07820
35
0.00000
0.15973
-0.07820
36
0.00000
0.21713
-0.11991
37
0.00000
-0.06076
-0.05837
38
0.00000
-0.00741
0.00721
39
0.00000
0.00744
0.00720
40
0.00000
0.06076
-0.05837
41
0.00000
-0.01647
-0.05509
42
0.00000
0.01647
-0.05509