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)
-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)
-0.35400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02826
0.01028
2
0.00000
0.02826
-0.01028
3
0.00000
-0.01236
0.01049
4
0.00000
-0.01511
0.02653
5
0.00000
-0.01511
-0.02653
6
0.00000
-0.01236
-0.01049
7
0.00000
-0.00300
-0.01155
8
0.00000
0.02254
0.00379
9
0.00000
0.02254
-0.00379
10
0.00000
-0.00300
0.01155
11
0.00000
0.00666
-0.01016
12
0.00000
-0.05529
-0.07352
13
0.00000
-0.05529
0.07352
14
0.00000
0.00666
0.01016
15
0.00000
-0.01080
0.01754
16
0.00000
-0.01080
-0.01754
17
0.00000
-0.00462
0.01154
18
0.00000
-0.02863
0.03333
19
0.00000
-0.02863
-0.03333
20
0.00000
-0.00462
-0.01154
21
0.00000
0.01793
0.00307
22
0.00000
0.05532
0.01882
23
0.00000
0.05532
-0.01882
24
0.00000
0.01793
-0.00307
25
0.00000
-0.00789
0.00947
26
0.00000
-0.00789
-0.00947
27
0.00000
0.00941
0.00868
28
0.00000
0.00941
-0.00868
29
0.00000
-0.00322
-0.08951
30
0.00000
-0.03181
-0.19884
31
0.00000
-0.03181
0.19884
32
0.00000
-0.00322
0.08951
33
0.00000
-0.07501
-0.05581
34
0.00000
-0.20974
-0.13253
35
0.00000
-0.20974
0.13253
36
0.00000
-0.07501
0.05581
37
0.00000
-0.05974
-0.03154
38
0.00000
0.36041
0.16963
39
0.00000
0.36041
-0.16963
40
0.00000
-0.05974
0.03154
41
0.00000
-0.00955
-0.01610
42
0.00000
-0.00955
0.01610