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)
-0.00300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00011
-0.00003
2
0.00000
0.00011
0.00003
3
0.00000
0.00015
-0.00039
4
0.00000
-0.00001
0.00005
5
0.00000
-0.00001
-0.00005
6
0.00000
0.00015
0.00039
7
0.00000
0.00154
0.00021
8
0.00000
0.00003
0.00000
9
0.00000
0.00003
0.00000
10
0.00000
0.00154
-0.00021
11
0.00000
-0.00098
0.00161
12
0.00000
-0.00001
0.00001
13
0.00000
-0.00001
-0.00001
14
0.00000
-0.00098
-0.00161
15
0.00000
0.00024
-0.00072
16
0.00000
0.00024
0.00072
17
0.00000
-0.01306
-0.00130
18
0.00000
-0.00109
-0.00010
19
0.00000
-0.00109
0.00010
20
0.00000
-0.01306
0.00130
21
0.00000
-0.01853
0.03190
22
0.00000
-0.00009
0.00030
23
0.00000
-0.00009
-0.00030
24
0.00000
-0.01853
-0.03190
25
0.00000
0.04260
0.00005
26
0.00000
0.04260
-0.00005
27
0.00000
0.00546
-0.01355
28
0.00000
0.00546
0.01355
29
0.00000
0.13729
0.00170
30
0.00000
0.01183
-0.00036
31
0.00000
0.01183
0.00036
32
0.00000
0.13729
-0.00170
33
0.00000
0.21645
-0.35668
34
0.00000
0.00178
-0.00353
35
0.00000
0.00178
0.00354
36
0.00000
0.21646
0.35668
37
0.00000
-0.07634
0.13629
38
0.00000
0.00000
-0.00005
39
0.00000
0.00001
0.00006
40
0.00000
-0.07634
-0.13629
41
0.00000
-0.48591
0.00500
42
0.00000
-0.48592
-0.00500