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)
0.54600
Eigenvectors
#
X
Y
Z
1
0.00000
-0.10542
-0.01504
2
0.00000
0.10542
-0.01504
3
0.00000
-0.03390
-0.05892
4
0.00000
0.03077
0.04088
5
0.00000
-0.03077
0.04088
6
0.00000
0.03390
-0.05892
7
0.00000
0.01207
0.04371
8
0.00000
0.01218
-0.01213
9
0.00000
-0.01218
-0.01213
10
0.00000
-0.01207
0.04371
11
0.00000
0.02631
0.04127
12
0.00000
-0.00118
0.00010
13
0.00000
0.00118
0.00010
14
0.00000
-0.02631
0.04127
15
0.00000
-0.02728
-0.00677
16
0.00000
0.02728
-0.00677
17
0.00000
0.04550
-0.03214
18
0.00000
-0.07268
0.02374
19
0.00000
0.07268
0.02374
20
0.00000
-0.04550
-0.03214
21
0.00000
-0.02144
0.00937
22
0.00000
0.01584
-0.00009
23
0.00000
-0.01584
-0.00009
24
0.00000
0.02144
0.00937
25
0.00000
0.02137
-0.00498
26
0.00000
-0.02137
-0.00498
27
0.00000
0.00317
-0.01789
28
0.00000
-0.00317
-0.01789
29
0.00000
0.04470
-0.08672
30
0.00000
-0.07342
0.04856
31
0.00000
0.07342
0.04856
32
0.00000
-0.04470
-0.08672
33
0.00000
-0.15917
-0.07518
34
0.00000
0.15170
0.07853
35
0.00000
-0.15170
0.07853
36
0.00000
0.15917
-0.07518
37
0.00000
0.00053
-0.02123
38
0.00000
-0.02246
-0.01195
39
0.00000
0.02246
-0.01195
40
0.00000
-0.00053
-0.02123
41
0.00000
0.02350
-0.06426
42
0.00000
-0.02350
-0.06426