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)
-0.19900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00014
0.00003
2
0.00000
0.00014
-0.00003
3
0.00000
0.00008
0.00009
4
0.00000
-0.00003
0.00037
5
0.00000
-0.00003
-0.00037
6
0.00000
0.00008
-0.00009
7
0.00000
0.00011
0.00020
8
0.00000
0.00044
-0.00002
9
0.00000
0.00044
0.00002
10
0.00000
0.00011
-0.00020
11
0.00000
-0.00003
-0.00016
12
0.00000
-0.00924
0.01526
13
0.00000
-0.00924
-0.01526
14
0.00000
-0.00003
0.00016
15
0.00000
-0.00040
0.00074
16
0.00000
-0.00040
-0.00074
17
0.00000
0.03844
0.00064
18
0.00000
0.01555
-0.00036
19
0.00000
0.01555
0.00036
20
0.00000
0.03844
-0.00064
21
0.00000
-0.00568
0.00677
22
0.00000
-0.01396
0.02505
23
0.00000
-0.01396
-0.02505
24
0.00000
-0.00568
-0.00677
25
0.00000
-0.00560
0.00079
26
0.00000
-0.00560
-0.00079
27
0.00000
0.00893
-0.01614
28
0.00000
0.00893
0.01614
29
0.00000
-0.44756
-0.00217
30
0.00000
-0.18942
0.00086
31
0.00000
-0.18942
-0.00086
32
0.00000
-0.44756
0.00217
33
0.00000
0.05878
-0.09385
34
0.00000
0.16747
-0.28921
35
0.00000
0.16747
0.28921
36
0.00000
0.05878
0.09385
37
0.00000
-0.10871
0.18667
38
0.00000
0.10670
-0.18321
39
0.00000
0.10670
0.18321
40
0.00000
-0.10871
-0.18667
41
0.00000
0.07011
-0.00143
42
0.00000
0.07011
0.00143