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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
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)
-0.15700
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04374
-0.02041
2
0.00000
0.04374
-0.02041
3
0.00000
-0.04945
0.06465
4
0.00000
0.02104
-0.02978
5
0.00000
-0.02104
-0.02978
6
0.00000
0.04946
0.06465
7
0.00000
0.01677
-0.07032
8
0.00000
-0.02970
0.04668
9
0.00000
0.02969
0.04668
10
0.00000
-0.01679
-0.07032
11
0.00000
0.07951
0.01137
12
0.00000
-0.03389
-0.01369
13
0.00000
0.03389
-0.01369
14
0.00000
-0.07950
0.01136
15
0.00000
0.05846
0.01487
16
0.00000
-0.05848
0.01487
17
0.00000
0.01274
0.04007
18
0.00000
0.00784
-0.01080
19
0.00000
-0.00784
-0.01080
20
0.00000
-0.01273
0.04008
21
0.00000
-0.03433
-0.03869
22
0.00000
0.02236
-0.00277
23
0.00000
-0.02236
-0.00277
24
0.00000
0.03433
-0.03869
25
0.00000
0.00261
0.04893
26
0.00000
-0.00261
0.04893
27
0.00000
-0.02408
-0.03010
28
0.00000
0.02408
-0.03010
29
0.00000
0.01705
0.05113
30
0.00000
0.00915
-0.14167
31
0.00000
-0.00914
-0.14165
32
0.00000
-0.01704
0.05114
33
0.00000
0.00755
-0.01668
34
0.00000
0.07121
0.02383
35
0.00000
-0.07119
0.02382
36
0.00000
-0.00750
-0.01670
37
0.00000
-0.02011
-0.03045
38
0.00000
-0.03252
-0.01034
39
0.00000
0.03253
-0.01035
40
0.00000
0.02012
-0.03046
41
0.00000
0.00356
0.00511
42
0.00000
-0.00356
0.00510