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)
0.16100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00874
-0.00287
2
0.00000
0.00874
0.00287
3
0.00000
-0.00344
-0.05543
4
0.00000
0.00810
-0.01054
5
0.00000
0.00810
0.01054
6
0.00000
-0.00344
0.05543
7
0.00000
-0.02717
-0.01211
8
0.00000
-0.02094
-0.02952
9
0.00000
-0.02094
0.02952
10
0.00000
-0.02717
0.01211
11
0.00000
0.00669
0.06221
12
0.00000
-0.00202
0.00983
13
0.00000
-0.00202
-0.00983
14
0.00000
0.00669
-0.06221
15
0.00000
-0.00313
0.11912
16
0.00000
-0.00313
-0.11912
17
0.00000
0.02528
-0.00555
18
0.00000
-0.00926
0.00903
19
0.00000
-0.00926
-0.00903
20
0.00000
0.02528
0.00555
21
0.00000
0.01626
-0.02172
22
0.00000
-0.01543
0.01649
23
0.00000
-0.01543
-0.01649
24
0.00000
0.01626
0.02172
25
0.00000
0.00380
0.01786
26
0.00000
0.00380
-0.01786
27
0.00000
0.00829
-0.01741
28
0.00000
0.00829
0.01741
29
0.00000
0.03172
-0.15829
30
0.00000
-0.01452
0.25947
31
0.00000
-0.01452
-0.25947
32
0.00000
0.03172
0.15829
33
0.00000
-0.10996
-0.10193
34
0.00000
0.12194
0.09567
35
0.00000
0.12194
-0.09567
36
0.00000
-0.10996
0.10193
37
0.00000
-0.09101
-0.07611
38
0.00000
0.10978
0.07592
39
0.00000
0.10978
-0.07592
40
0.00000
-0.09101
0.07611
41
0.00000
0.00243
-0.08982
42
0.00000
0.00243
0.08982