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)
0.14700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03095
0.00162
2
0.00000
-0.03095
-0.00162
3
0.00000
-0.00226
0.06064
4
0.00000
0.03629
0.04029
5
0.00000
0.03630
-0.04029
6
0.00000
-0.00226
-0.06065
7
0.00000
0.04882
0.01838
8
0.00000
-0.04266
0.01830
9
0.00000
-0.04266
-0.01830
10
0.00000
0.04882
-0.01838
11
0.00000
0.00667
-0.09788
12
0.00000
0.00142
-0.02811
13
0.00000
0.00142
0.02811
14
0.00000
0.00667
0.09788
15
0.00000
-0.02097
0.01957
16
0.00000
-0.02097
-0.01957
17
0.00000
0.01256
0.00345
18
0.00000
0.01014
-0.01904
19
0.00000
0.01014
0.01904
20
0.00000
0.01257
-0.00345
21
0.00000
-0.01433
-0.01114
22
0.00000
0.00302
0.00088
23
0.00000
0.00302
-0.00088
24
0.00000
-0.01433
0.01114
25
0.00000
-0.00163
-0.01053
26
0.00000
-0.00163
0.01053
27
0.00000
-0.01974
0.02194
28
0.00000
-0.01973
-0.02194
29
0.00000
0.01469
-0.10482
30
0.00000
0.00977
0.04787
31
0.00000
0.00977
-0.04788
32
0.00000
0.01469
0.10481
33
0.00000
-0.10604
-0.06669
34
0.00000
0.15766
0.08729
35
0.00000
0.15766
-0.08729
36
0.00000
-0.10605
0.06669
37
0.00000
0.03733
0.05735
38
0.00000
0.05050
0.00133
39
0.00000
0.05051
-0.00134
40
0.00000
0.03733
-0.05734
41
0.00000
-0.00198
0.34874
42
0.00000
-0.00198
-0.34873