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)
-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)
-0.00900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00446
-0.00895
2
0.00000
0.00446
0.00895
3
0.00000
-0.03825
-0.00901
4
0.00000
-0.03245
-0.01516
5
0.00000
-0.03245
0.01516
6
0.00000
-0.03825
0.00901
7
0.00000
0.09246
-0.00533
8
0.00000
0.05221
-0.02747
9
0.00000
0.05221
0.02747
10
0.00000
0.09246
0.00533
11
0.00000
-0.04568
0.00760
12
0.00000
0.00231
0.03553
13
0.00000
0.00231
-0.03553
14
0.00000
-0.04568
-0.00760
15
0.00000
0.08642
-0.00595
16
0.00000
0.08642
0.00595
17
0.00000
-0.03992
0.04120
18
0.00000
-0.02768
0.03053
19
0.00000
-0.02768
-0.03053
20
0.00000
-0.03992
-0.04120
21
0.00000
-0.01705
-0.00028
22
0.00000
-0.01882
-0.00446
23
0.00000
-0.01882
0.00446
24
0.00000
-0.01705
0.00028
25
0.00000
0.01535
0.00647
26
0.00000
0.01535
-0.00647
27
0.00000
0.00889
0.00635
28
0.00000
0.00889
-0.00635
29
0.00000
-0.04000
0.00479
30
0.00000
-0.02641
0.06973
31
0.00000
-0.02641
-0.06973
32
0.00000
-0.04000
-0.00479
33
0.00000
-0.19532
-0.10775
34
0.00000
-0.13019
-0.06933
35
0.00000
-0.13019
0.06933
36
0.00000
-0.19532
0.10775
37
0.00000
-0.04916
-0.02877
38
0.00000
-0.07694
-0.01428
39
0.00000
-0.07694
0.01428
40
0.00000
-0.04916
0.02877
41
0.00000
0.01490
-0.16545
42
0.00000
0.01490
0.16545