Charge: 0
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
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)
0.53500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05648
0.02279
2
0.00000
-0.05648
-0.02279
3
0.00000
0.01440
0.01016
4
0.00000
0.02249
0.01914
5
0.00000
0.02249
-0.01914
6
0.00000
0.01440
-0.01016
7
0.00000
0.00968
-0.00482
8
0.00000
0.08936
0.05864
9
0.00000
0.08936
-0.05864
10
0.00000
0.00968
0.00482
11
0.00000
-0.00911
0.00167
12
0.00000
-0.00815
-0.01003
13
0.00000
-0.00815
0.01003
14
0.00000
-0.00911
-0.00167
15
0.00000
-0.02058
0.06047
16
0.00000
-0.02058
-0.06047
17
0.00000
0.01692
-0.02450
18
0.00000
-0.02728
-0.01133
19
0.00000
-0.02728
0.01133
20
0.00000
0.01692
0.02450
21
0.00000
0.00712
0.01234
22
0.00000
-0.01772
0.03877
23
0.00000
-0.01772
-0.03877
24
0.00000
0.00712
-0.01234
25
0.00000
0.00138
-0.00901
26
0.00000
0.00138
0.00901
27
0.00000
0.00135
0.00610
28
0.00000
0.00135
-0.00610
29
0.00000
0.02104
-0.29969
30
0.00000
-0.03043
-0.15731
31
0.00000
-0.03043
0.15731
32
0.00000
0.02104
0.29969
33
0.00000
0.01513
0.01738
34
0.00000
-0.07737
0.01157
35
0.00000
-0.07737
-0.01157
36
0.00000
0.01513
-0.01738
37
0.00000
0.02559
0.02093
38
0.00000
-0.23386
-0.14912
39
0.00000
-0.23386
0.14912
40
0.00000
0.02559
-0.02093
41
0.00000
0.00110
-0.04251
42
0.00000
0.00110
0.04251