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)
-1073.55865
Description
S0
Multiplicity
1
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)
0.00795 b
(cm-1)
0.00762 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
-0.04101
0.00000
2
0.00000
0.04101
0.00000
3
-0.03178
-0.05199
0.00000
4
-0.03178
0.05199
0.00000
5
0.03177
-0.05198
0.00000
6
0.03177
0.05198
0.00000
7
-0.01338
-0.05768
0.00000
8
-0.01338
0.05768
0.00000
9
0.01338
-0.05768
0.00000
10
0.01338
0.05768
0.00000
11
-0.04665
0.01189
0.00000
12
-0.04665
-0.01189
0.00000
13
0.04665
0.01189
0.00000
14
0.04665
-0.01189
0.00000
15
0.00000
-0.00404
0.00000
16
0.00000
0.00404
0.00000
17
-0.02906
0.04368
0.00000
18
-0.02906
-0.04368
0.00000
19
0.02906
0.04368
0.00000
20
0.02906
-0.04368
0.00000
21
0.02022
0.01399
0.00000
22
0.02022
-0.01399
0.00000
23
-0.02021
0.01400
0.00000
24
-0.02021
-0.01400
0.00000
25
0.01597
-0.06523
0.00000
26
0.01597
0.06523
0.00000
27
-0.01597
-0.06522
0.00000
28
-0.01597
0.06522
0.00000
29
0.00000
-0.06956
0.00000
30
0.00000
0.06956
0.00000
31
-0.03014
0.07966
0.00000
32
-0.03014
-0.07966
0.00000
33
0.03014
0.07965
0.00000
34
0.03014
-0.07965
0.00000
35
0.07795
0.04743
0.00000
36
0.07795
-0.04743
0.00000
37
-0.07795
0.04743
0.00000
38
-0.07795
-0.04743
0.00000
39
0.06524
-0.09210
0.00000
40
0.06524
0.09210
0.00000
41
-0.06524
-0.09209
0.00000
42
-0.06524
0.09209
0.00000