Charge: 2
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+2
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)
0.00000
Diff mu Z
(Debye)
0.10200
Eigenvectors
#
X
Y
Z
1
0.00000
0.01005
0.00121
2
0.00000
-0.01005
0.00121
3
0.00000
-0.00641
0.01458
4
0.00000
0.00275
-0.00494
5
0.00000
-0.00275
-0.00494
6
0.00000
0.00641
0.01458
7
0.00000
-0.01947
0.01297
8
0.00000
0.01659
-0.00152
9
0.00000
-0.01659
-0.00152
10
0.00000
0.01947
0.01297
11
0.00000
0.02563
-0.05465
12
0.00000
-0.00370
0.04040
13
0.00000
0.00370
0.04040
14
0.00000
-0.02563
-0.05465
15
0.00000
0.01177
-0.00491
16
0.00000
-0.01177
-0.00491
17
0.00000
0.03867
0.04259
18
0.00000
-0.01374
-0.04754
19
0.00000
0.01374
-0.04754
20
0.00000
-0.03867
0.04259
21
0.00000
-0.01292
0.07867
22
0.00000
0.01737
-0.07132
23
0.00000
-0.01737
-0.07132
24
0.00000
0.01292
0.07867
25
0.00000
0.11151
-0.02923
26
0.00000
-0.11151
-0.02923
27
0.00000
0.01139
0.02790
28
0.00000
-0.01139
0.02790
29
0.00000
0.03932
0.03827
30
0.00000
-0.01403
-0.04164
31
0.00000
0.01403
-0.04164
32
0.00000
-0.03932
0.03827
33
0.00000
-0.01800
0.07642
34
0.00000
-0.00130
-0.08244
35
0.00000
0.00130
-0.08244
36
0.00000
0.01800
0.07642
37
0.00000
-0.06729
-0.02024
38
0.00000
-0.02570
0.02840
39
0.00000
0.02570
0.02840
40
0.00000
0.06729
-0.02024
41
0.00000
0.11241
-0.04882
42
0.00000
-0.11241
-0.04882