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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.62500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02739
-0.02792
2
0.00000
-0.02739
0.02792
3
0.00000
-0.00364
0.00370
4
0.00000
0.01374
-0.06536
5
0.00000
0.01374
0.06536
6
0.00000
-0.00364
-0.00370
7
0.00000
0.04310
-0.01060
8
0.00000
-0.01112
0.06658
9
0.00000
-0.01112
-0.06658
10
0.00000
0.04310
0.01060
11
0.00000
-0.02887
0.05393
12
0.00000
-0.02770
-0.05374
13
0.00000
-0.02770
0.05374
14
0.00000
-0.02887
-0.05393
15
0.00000
0.04086
0.01936
16
0.00000
0.04086
-0.01936
17
0.00000
-0.00682
-0.02839
18
0.00000
-0.02377
-0.01223
19
0.00000
-0.02377
0.01223
20
0.00000
-0.00682
0.02839
21
0.00000
-0.02426
0.00952
22
0.00000
0.03086
0.00922
23
0.00000
0.03086
-0.00922
24
0.00000
-0.02426
-0.00952
25
0.00000
0.03410
-0.04401
26
0.00000
0.03410
0.04401
27
0.00000
-0.03849
-0.02937
28
0.00000
-0.03849
0.02937
29
0.00000
-0.00775
0.14365
30
0.00000
-0.02606
0.01826
31
0.00000
-0.02606
-0.01826
32
0.00000
-0.00775
-0.14365
33
0.00000
-0.01291
0.02355
34
0.00000
-0.00221
-0.00421
35
0.00000
-0.00221
0.00421
36
0.00000
-0.01291
-0.02355
37
0.00000
0.21434
0.11770
38
0.00000
0.14502
0.04880
39
0.00000
0.14502
-0.04880
40
0.00000
0.21434
-0.11770
41
0.00000
0.03942
0.15233
42
0.00000
0.03942
-0.15233