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)
4.24300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06193
0.02133
2
0.00000
-0.06193
-0.02133
3
0.00000
0.01812
0.00960
4
0.00000
0.02587
0.04821
5
0.00000
0.02587
-0.04821
6
0.00000
0.01812
-0.00960
7
0.00000
-0.02976
-0.01926
8
0.00000
-0.05207
-0.04556
9
0.00000
-0.05207
0.04556
10
0.00000
-0.02976
0.01926
11
0.00000
0.00631
0.01874
12
0.00000
0.01873
0.02407
13
0.00000
0.01873
-0.02407
14
0.00000
0.00631
-0.01874
15
0.00000
0.05382
-0.00903
16
0.00000
0.05382
0.00903
17
0.00000
-0.02842
-0.03070
18
0.00000
-0.03417
-0.04890
19
0.00000
-0.03417
0.04890
20
0.00000
-0.02842
0.03070
21
0.00000
0.04880
0.03838
22
0.00000
0.06869
0.05459
23
0.00000
0.06869
-0.05459
24
0.00000
0.04880
-0.03838
25
0.00000
-0.00826
-0.03063
26
0.00000
-0.00826
0.03063
27
0.00000
0.01133
0.02441
28
0.00000
0.01133
-0.02441
29
0.00000
-0.03144
0.04643
30
0.00000
-0.03786
0.07131
31
0.00000
-0.03786
-0.07131
32
0.00000
-0.03144
-0.04643
33
0.00000
-0.10773
-0.05687
34
0.00000
-0.13827
-0.06397
35
0.00000
-0.13827
0.06397
36
0.00000
-0.10773
0.05687
37
0.00000
-0.05165
-0.01036
38
0.00000
-0.06753
-0.02588
39
0.00000
-0.06753
0.02588
40
0.00000
-0.05165
0.01036
41
0.00000
-0.00687
0.06398
42
0.00000
-0.00687
-0.06398