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)
0.42300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01026
0.00664
2
0.00000
-0.01026
-0.00664
3
0.00000
-0.02061
-0.00729
4
0.00000
-0.00001
-0.02760
5
0.00000
-0.00001
0.02760
6
0.00000
-0.02061
0.00729
7
0.00000
0.03174
-0.01705
8
0.00000
-0.01085
-0.01480
9
0.00000
-0.01085
0.01480
10
0.00000
0.03174
0.01705
11
0.00000
0.00782
0.01768
12
0.00000
0.00381
0.01320
13
0.00000
0.00381
-0.01320
14
0.00000
0.00782
-0.01768
15
0.00000
0.01855
-0.02492
16
0.00000
0.01855
0.02492
17
0.00000
-0.03193
-0.03568
18
0.00000
0.01192
0.02374
19
0.00000
0.01192
-0.02374
20
0.00000
-0.03193
0.03568
21
0.00000
0.01257
0.05578
22
0.00000
-0.01209
-0.03142
23
0.00000
-0.01209
0.03142
24
0.00000
0.01257
-0.05578
25
0.00000
0.01172
0.02994
26
0.00000
0.01172
-0.02994
27
0.00000
-0.01565
-0.02160
28
0.00000
-0.01565
0.02160
29
0.00000
-0.03625
-0.32473
30
0.00000
0.01514
0.11146
31
0.00000
0.01514
-0.11146
32
0.00000
-0.03625
0.32473
33
0.00000
0.23844
0.20171
34
0.00000
-0.09023
-0.07948
35
0.00000
-0.09023
0.07948
36
0.00000
0.23844
-0.20171
37
0.00000
-0.16305
-0.10945
38
0.00000
0.05777
0.04549
39
0.00000
0.05777
-0.04549
40
0.00000
-0.16305
0.10945
41
0.00000
0.01699
0.23948
42
0.00000
0.01699
-0.23948