Charge: -1
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/q-1
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)
0.49800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06776
0.00000
0.00000
2
0.06776
0.00000
0.00000
3
0.00099
-0.03783
0.00000
4
0.00099
0.03783
0.00000
5
0.00099
0.03783
0.00000
6
0.00099
-0.03783
0.00000
7
-0.05405
-0.00218
0.00000
8
-0.05405
0.00218
0.00000
9
-0.05405
0.00218
0.00000
10
-0.05405
-0.00218
0.00000
11
-0.00834
-0.04735
0.00000
12
-0.00834
0.04735
0.00000
13
-0.00834
0.04735
0.00000
14
-0.00834
-0.04735
0.00000
15
-0.09705
0.00000
0.00000
16
-0.09705
0.00000
0.00000
17
0.06471
-0.01965
0.00000
18
0.06471
0.01965
0.00000
19
0.06471
0.01965
0.00000
20
0.06471
-0.01965
0.00000
21
0.01336
0.01144
0.00000
22
0.01336
-0.01144
0.00000
23
0.01336
-0.01144
0.00000
24
0.01336
0.01144
0.00000
25
-0.00227
0.03512
0.00000
26
-0.00227
-0.03512
0.00000
27
-0.00227
-0.03512
0.00000
28
-0.00227
0.03512
0.00000
29
-0.09743
0.00000
0.00000
30
-0.09743
0.00000
0.00000
31
0.06419
-0.01245
0.00000
32
0.06419
0.01245
0.00000
33
0.06419
0.01245
0.00000
34
0.06419
-0.01245
0.00000
35
-0.04155
-0.02064
0.00000
36
-0.04155
0.02064
0.00000
37
-0.04155
0.02064
0.00000
38
-0.04155
-0.02064
0.00000
39
0.02900
0.01830
0.00000
40
0.02900
-0.01830
0.00000
41
0.02900
-0.01830
0.00000
42
0.02900
0.01830
0.00000