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)
0.80800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00035
0.00034
2
0.00000
-0.00035
0.00034
3
0.00000
0.00016
0.00020
4
0.00000
0.00017
0.00033
5
0.00000
-0.00017
0.00033
6
0.00000
-0.00016
0.00020
7
0.00000
-0.00068
-0.00057
8
0.00000
0.00035
-0.00026
9
0.00000
-0.00035
-0.00026
10
0.00000
0.00068
-0.00057
11
0.00000
0.00039
-0.00068
12
0.00000
-0.01427
0.02062
13
0.00000
0.01427
0.02062
14
0.00000
-0.00039
-0.00068
15
0.00000
-0.00006
-0.00052
16
0.00000
0.00006
-0.00052
17
0.00000
0.01595
0.00140
18
0.00000
-0.02898
-0.00141
19
0.00000
0.02898
-0.00141
20
0.00000
-0.01595
0.00140
21
0.00000
0.00876
-0.01416
22
0.00000
-0.01571
0.03035
23
0.00000
0.01571
0.03035
24
0.00000
-0.00876
-0.01416
25
0.00000
-0.01910
-0.00011
26
0.00000
0.01910
-0.00011
27
0.00000
0.00315
-0.00452
28
0.00000
-0.00315
-0.00452
29
0.00000
-0.17843
-0.00198
30
0.00000
0.32657
0.00025
31
0.00000
-0.32657
0.00025
32
0.00000
0.17843
-0.00198
33
0.00000
-0.09455
0.15323
34
0.00000
0.19306
-0.33593
35
0.00000
-0.19306
-0.33593
36
0.00000
0.09455
0.15323
37
0.00000
-0.03487
0.05841
38
0.00000
0.14152
-0.24069
39
0.00000
-0.14152
-0.24069
40
0.00000
0.03487
0.05841
41
0.00000
0.22358
-0.00243
42
0.00000
-0.22358
-0.00243