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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
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)
0.93200
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00002
-0.00032
2
0.00000
0.00002
-0.00032
3
0.00000
0.00005
-0.00012
4
0.00000
-0.00004
-0.00005
5
0.00000
0.00004
-0.00005
6
0.00000
-0.00005
-0.00012
7
0.00000
-0.00135
-0.00054
8
0.00000
-0.00001
0.00018
9
0.00000
0.00001
0.00018
10
0.00000
0.00135
-0.00054
11
0.00000
0.00009
-0.00102
12
0.00000
0.00182
-0.00281
13
0.00000
-0.00182
-0.00281
14
0.00000
-0.00009
-0.00102
15
0.00000
-0.00002
0.00067
16
0.00000
0.00002
0.00067
17
0.00000
0.01742
0.00130
18
0.00000
-0.00015
-0.00020
19
0.00000
0.00015
-0.00020
20
0.00000
-0.01742
0.00130
21
0.00000
0.02158
-0.03699
22
0.00000
0.00161
-0.00347
23
0.00000
-0.00161
-0.00347
24
0.00000
-0.02158
-0.03699
25
0.00000
-0.01976
-0.00048
26
0.00000
0.01976
-0.00048
27
0.00000
-0.01602
0.02667
28
0.00000
0.01602
0.02667
29
0.00000
-0.19045
-0.00058
30
0.00000
0.00177
-0.00013
31
0.00000
-0.00177
-0.00013
32
0.00000
0.19045
-0.00058
33
0.00000
-0.25802
0.42677
34
0.00000
-0.02338
0.04127
35
0.00000
0.02338
0.04127
36
0.00000
0.25802
0.42677
37
0.00000
0.17642
-0.29732
38
0.00000
-0.02086
0.03577
39
0.00000
0.02086
0.03577
40
0.00000
-0.17642
-0.29732
41
0.00000
0.21366
-0.00118
42
0.00000
-0.21366
-0.00118