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)
0.00000
Diff mu Z
(Debye)
0.16600
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05862
0.00240
2
0.00000
0.05862
0.00240
3
0.00000
-0.00220
-0.03414
4
0.00000
0.00030
0.03068
5
0.00000
-0.00030
0.03068
6
0.00000
0.00220
-0.03414
7
0.00000
0.04557
-0.01263
8
0.00000
-0.06196
-0.00084
9
0.00000
0.06196
-0.00084
10
0.00000
-0.04557
-0.01263
11
0.00000
0.00903
0.00420
12
0.00000
-0.00576
-0.04179
13
0.00000
0.00576
-0.04179
14
0.00000
-0.00903
0.00420
15
0.00000
-0.07423
0.01428
16
0.00000
0.07423
0.01428
17
0.00000
-0.02297
0.06558
18
0.00000
-0.00385
-0.04297
19
0.00000
0.00385
-0.04297
20
0.00000
0.02297
0.06558
21
0.00000
0.05364
0.02825
22
0.00000
-0.07722
-0.01223
23
0.00000
0.07722
-0.01223
24
0.00000
-0.05364
0.02825
25
0.00000
-0.00196
0.00095
26
0.00000
0.00196
0.00095
27
0.00000
-0.00024
-0.00325
28
0.00000
0.00024
-0.00325
29
0.00000
-0.02295
0.14946
30
0.00000
-0.00377
-0.14286
31
0.00000
0.00377
-0.14286
32
0.00000
0.02295
0.14946
33
0.00000
0.09888
0.05557
34
0.00000
-0.10988
-0.03141
35
0.00000
0.10988
-0.03141
36
0.00000
-0.09888
0.05557
37
0.00000
0.00138
-0.00272
38
0.00000
0.03555
-0.01729
39
0.00000
-0.03555
-0.01729
40
0.00000
-0.00138
-0.00272
41
0.00000
-0.00095
0.00709
42
0.00000
0.00095
0.00709