Charge: 0
Inchi:1S/C28H14/c1-5-15-13-16-6-3-11-21-22-12-4-8-18-14-17-7-2-10-20-19(9-1)23(15)27(25(16)21)28(24(17)20)26(18)22/h1-14H
Electronic States
Energy
(eV)
-1073.90161
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.00793 b
(cm-1)
0.00763 c
(cm-1)
0.00389
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00019
0.00000
2
0.00000
-0.00019
0.00000
3
-0.00010
-0.00012
0.00000
4
-0.00010
0.00012
0.00000
5
0.00010
-0.00012
0.00000
6
0.00010
0.00012
0.00000
7
0.00060
-0.00110
0.00000
8
0.00060
0.00110
0.00000
9
-0.00060
-0.00110
0.00000
10
-0.00060
0.00110
0.00000
11
-0.00019
0.00082
0.00000
12
-0.00019
-0.00082
0.00000
13
0.00019
0.00082
0.00000
14
0.00019
-0.00082
0.00000
15
0.00000
-0.00040
0.00000
16
0.00000
0.00040
0.00000
17
0.02358
0.00124
0.00000
18
0.02358
-0.00124
0.00000
19
-0.02358
0.00124
0.00000
20
-0.02358
-0.00124
0.00000
21
0.00697
-0.01593
0.00000
22
0.00697
0.01593
0.00000
23
-0.00697
-0.01593
0.00000
24
-0.00697
0.01593
0.00000
25
0.01321
0.02667
0.00000
26
0.01321
-0.02667
0.00000
27
-0.01321
0.02667
0.00000
28
-0.01321
-0.02667
0.00000
29
0.00000
-0.00135
0.00000
30
0.00000
0.00135
0.00000
31
-0.26557
-0.00438
0.00000
32
-0.26557
0.00438
0.00000
33
0.26557
-0.00438
0.00000
34
0.26557
0.00438
0.00000
35
-0.09646
0.17143
0.00000
36
-0.09646
-0.17143
0.00000
37
0.09646
0.17143
0.00000
38
0.09646
-0.17143
0.00000
39
-0.16021
-0.30388
0.00000
40
-0.16021
0.30388
0.00000
41
0.16021
-0.30388
0.00000
42
0.16021
0.30388
0.00000