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)
3.12300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00037
0.00011
2
0.00000
-0.00037
-0.00011
3
0.00000
-0.00023
-0.00054
4
0.00000
-0.00056
0.00021
5
0.00000
-0.00056
-0.00021
6
0.00000
-0.00023
0.00054
7
0.00000
-0.00022
-0.00025
8
0.00000
0.00037
0.00009
9
0.00000
0.00037
-0.00009
10
0.00000
-0.00022
0.00025
11
0.00000
0.00000
0.00034
12
0.00000
-0.01221
0.01896
13
0.00000
-0.01221
-0.01896
14
0.00000
0.00000
-0.00034
15
0.00000
0.00026
0.00047
16
0.00000
0.00026
-0.00047
17
0.00000
-0.01659
-0.00073
18
0.00000
-0.03115
-0.00139
19
0.00000
-0.03115
0.00139
20
0.00000
-0.01659
0.00073
21
0.00000
0.00676
-0.01087
22
0.00000
-0.01491
0.02887
23
0.00000
-0.01491
-0.02887
24
0.00000
0.00676
0.01087
25
0.00000
0.01630
-0.00017
26
0.00000
0.01630
0.00017
27
0.00000
0.00089
-0.00257
28
0.00000
0.00089
0.00257
29
0.00000
0.20599
0.00246
30
0.00000
0.36542
0.00083
31
0.00000
0.36542
-0.00083
32
0.00000
0.20599
-0.00246
33
0.00000
-0.07980
0.13143
34
0.00000
0.19027
-0.32938
35
0.00000
0.19027
0.32938
36
0.00000
-0.07980
-0.13143
37
0.00000
-0.01348
0.02364
38
0.00000
0.13900
-0.23686
39
0.00000
0.13900
0.23686
40
0.00000
-0.01348
-0.02364
41
0.00000
-0.19221
0.00204
42
0.00000
-0.19221
-0.00204