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)
-0.37800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00308
0.00261
2
0.00000
0.00308
0.00260
3
0.00000
-0.02569
-0.00842
4
0.00000
0.00729
0.00682
5
0.00000
-0.00729
0.00682
6
0.00000
0.02569
-0.00842
7
0.00000
-0.02050
0.00029
8
0.00000
0.03828
0.00421
9
0.00000
-0.03828
0.00421
10
0.00000
0.02050
0.00029
11
0.00000
-0.03398
-0.01224
12
0.00000
0.02815
-0.00109
13
0.00000
-0.02815
-0.00109
14
0.00000
0.03398
-0.01224
15
0.00000
0.03451
0.00298
16
0.00000
-0.03451
0.00298
17
0.00000
-0.01916
0.06568
18
0.00000
0.02538
-0.06533
19
0.00000
-0.02538
-0.06533
20
0.00000
0.01916
0.06568
21
0.00000
0.04385
-0.01444
22
0.00000
-0.06097
0.00539
23
0.00000
0.06097
0.00539
24
0.00000
-0.04385
-0.01445
25
0.00000
0.00989
0.05368
26
0.00000
-0.00989
0.05368
27
0.00000
0.00682
-0.02181
28
0.00000
-0.00682
-0.02181
29
0.00000
-0.01925
-0.19573
30
0.00000
0.02592
0.21505
31
0.00000
-0.02592
0.21505
32
0.00000
0.01925
-0.19573
33
0.00000
-0.12444
-0.12017
34
0.00000
0.16691
0.13871
35
0.00000
-0.16691
0.13871
36
0.00000
0.12444
-0.12017
37
0.00000
-0.04163
-0.05601
38
0.00000
-0.01053
-0.02712
39
0.00000
0.01053
-0.02713
40
0.00000
0.04162
-0.05600
41
0.00000
0.00731
-0.17266
42
0.00000
-0.00731
-0.17266