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)
0.00000
Diff mu Z
(Debye)
-1.95400
Eigenvectors
#
X
Y
Z
1
0.00000
0.04564
0.02545
2
0.00000
-0.04564
0.02545
3
0.00000
0.00874
-0.04646
4
0.00000
-0.05012
0.03091
5
0.00000
0.05012
0.03091
6
0.00000
-0.00874
-0.04646
7
0.00000
-0.03069
-0.02244
8
0.00000
-0.08252
-0.05402
9
0.00000
0.08252
-0.05402
10
0.00000
0.03069
-0.02244
11
0.00000
-0.00117
0.05147
12
0.00000
-0.01415
0.02904
13
0.00000
0.01415
0.02904
14
0.00000
0.00117
0.05147
15
0.00000
0.00480
0.04570
16
0.00000
-0.00480
0.04570
17
0.00000
0.01301
0.00492
18
0.00000
0.03676
-0.01033
19
0.00000
-0.03676
-0.01033
20
0.00000
-0.01301
0.00492
21
0.00000
-0.00628
-0.01786
22
0.00000
0.02550
-0.02021
23
0.00000
-0.02550
-0.02021
24
0.00000
0.00628
-0.01786
25
0.00000
0.01498
0.00275
26
0.00000
-0.01498
0.00275
27
0.00000
0.00310
-0.01503
28
0.00000
-0.00310
-0.01503
29
0.00000
0.01642
0.10390
30
0.00000
0.04073
-0.12951
31
0.00000
-0.04073
-0.12951
32
0.00000
-0.01642
0.10390
33
0.00000
-0.08908
-0.07034
34
0.00000
0.26771
0.11308
35
0.00000
-0.26771
0.11308
36
0.00000
0.08908
-0.07034
37
0.00000
-0.11501
-0.08642
38
0.00000
0.00976
0.05214
39
0.00000
-0.00976
0.05214
40
0.00000
0.11501
-0.08642
41
0.00000
0.01588
-0.02938
42
0.00000
-0.01588
-0.02938