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)
0.15100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.05059
-0.00833
2
0.00000
0.05059
0.00833
3
0.00000
0.03639
-0.00106
4
0.00000
0.03035
-0.00013
5
0.00000
0.03035
0.00013
6
0.00000
0.03639
0.00106
7
0.00000
-0.00665
-0.01926
8
0.00000
-0.03025
-0.02461
9
0.00000
-0.03025
0.02461
10
0.00000
-0.00665
0.01926
11
0.00000
-0.05304
0.01029
12
0.00000
-0.08875
-0.01076
13
0.00000
-0.08875
0.01076
14
0.00000
-0.05304
-0.01029
15
0.00000
0.05462
-0.03839
16
0.00000
0.05462
0.03839
17
0.00000
0.02960
-0.07706
18
0.00000
-0.00128
-0.00091
19
0.00000
-0.00128
0.00091
20
0.00000
0.02960
0.07706
21
0.00000
0.00052
-0.06471
22
0.00000
-0.02934
-0.00393
23
0.00000
-0.02934
0.00393
24
0.00000
0.00052
0.06471
25
0.00000
-0.01884
0.03941
26
0.00000
-0.01884
-0.03941
27
0.00000
0.03278
0.01962
28
0.00000
0.03278
-0.01962
29
0.00000
0.02930
-0.11528
30
0.00000
-0.00115
-0.05653
31
0.00000
-0.00115
0.05653
32
0.00000
0.02930
0.11528
33
0.00000
-0.01750
-0.07444
34
0.00000
-0.01758
0.00318
35
0.00000
-0.01758
-0.00318
36
0.00000
-0.01750
0.07444
37
0.00000
0.06611
0.03959
38
0.00000
-0.11861
-0.02706
39
0.00000
-0.11861
0.02706
40
0.00000
0.06611
-0.03959
41
0.00000
-0.02039
0.07624
42
0.00000
-0.02039
-0.07624