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)
-0.51300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.04045
-0.01945
2
0.00000
0.04045
0.01945
3
0.00000
-0.01181
0.03418
4
0.00000
-0.02122
0.00919
5
0.00000
-0.02122
-0.00919
6
0.00000
-0.01181
-0.03418
7
0.00000
-0.00775
-0.01686
8
0.00000
0.00702
-0.00533
9
0.00000
0.00702
0.00533
10
0.00000
-0.00775
0.01686
11
0.00000
0.01160
-0.01242
12
0.00000
-0.04203
-0.05550
13
0.00000
-0.04203
0.05550
14
0.00000
0.01160
0.01242
15
0.00000
-0.02291
0.01767
16
0.00000
-0.02291
-0.01767
17
0.00000
0.00309
0.04111
18
0.00000
-0.02495
0.03971
19
0.00000
-0.02495
-0.03971
20
0.00000
0.00309
-0.04111
21
0.00000
0.01351
-0.01599
22
0.00000
0.06502
0.01987
23
0.00000
0.06502
-0.01987
24
0.00000
0.01351
0.01599
25
0.00000
-0.00965
0.01155
26
0.00000
-0.00965
-0.01155
27
0.00000
0.01080
0.00991
28
0.00000
0.01080
-0.00991
29
0.00000
0.00607
-0.14345
30
0.00000
-0.02697
-0.22090
31
0.00000
-0.02697
0.22090
32
0.00000
0.00607
0.14345
33
0.00000
-0.08080
-0.07651
34
0.00000
-0.22966
-0.14881
35
0.00000
-0.22966
0.14881
36
0.00000
-0.08080
0.07651
37
0.00000
-0.07189
-0.03848
38
0.00000
0.28238
0.13474
39
0.00000
0.28238
-0.13474
40
0.00000
-0.07189
0.03848
41
0.00000
-0.01218
-0.00404
42
0.00000
-0.01218
0.00404