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)
1.21300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00010
-0.00035
2
0.00000
0.00010
-0.00035
3
0.00000
-0.00035
-0.00014
4
0.00000
-0.00021
-0.00014
5
0.00000
0.00021
-0.00014
6
0.00000
0.00035
-0.00014
7
0.00000
-0.00106
-0.00002
8
0.00000
-0.00003
0.00014
9
0.00000
0.00003
0.00014
10
0.00000
0.00106
-0.00002
11
0.00000
-0.00007
-0.00121
12
0.00000
0.00532
-0.00795
13
0.00000
-0.00532
-0.00795
14
0.00000
0.00007
-0.00121
15
0.00000
-0.00013
0.00058
16
0.00000
0.00013
0.00058
17
0.00000
0.00524
0.00036
18
0.00000
0.00527
0.00009
19
0.00000
-0.00527
0.00009
20
0.00000
-0.00524
0.00036
21
0.00000
0.01110
-0.01895
22
0.00000
0.00502
-0.00978
23
0.00000
-0.00502
-0.00978
24
0.00000
-0.01110
-0.01895
25
0.00000
-0.03085
-0.00021
26
0.00000
0.03085
-0.00021
27
0.00000
-0.02251
0.03783
28
0.00000
0.02251
0.03783
29
0.00000
-0.05619
-0.00005
30
0.00000
-0.05788
0.00027
31
0.00000
0.05788
0.00027
32
0.00000
0.05619
-0.00005
33
0.00000
-0.13318
0.21660
34
0.00000
-0.06355
0.11089
35
0.00000
0.06355
0.11089
36
0.00000
0.13318
0.21660
37
0.00000
0.24688
-0.42039
38
0.00000
-0.05530
0.09455
39
0.00000
0.05530
0.09455
40
0.00000
-0.24688
-0.42039
41
0.00000
0.33993
-0.00466
42
0.00000
-0.33993
-0.00466