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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04503
0.00000
0.00000
2
0.04503
0.00000
0.00000
3
-0.04139
0.04918
0.00000
4
0.04139
0.04918
0.00000
5
-0.04139
-0.04918
0.00000
6
0.04139
-0.04918
0.00000
7
-0.00764
0.02739
0.00000
8
0.00764
0.02739
0.00000
9
-0.00764
-0.02739
0.00000
10
0.00764
-0.02739
0.00000
11
-0.01438
0.02425
0.00000
12
0.01438
0.02425
0.00000
13
-0.01438
-0.02425
0.00000
14
0.01438
-0.02425
0.00000
15
0.01391
0.00000
0.00000
16
-0.01391
0.00000
0.00000
17
0.06827
0.01856
0.00000
18
-0.06827
0.01856
0.00000
19
0.06827
-0.01856
0.00000
20
-0.06827
-0.01856
0.00000
21
0.01237
-0.02869
0.00000
22
-0.01237
-0.02869
0.00000
23
0.01237
0.02869
0.00000
24
-0.01237
0.02869
0.00000
25
-0.05096
-0.04707
0.00000
26
0.05096
-0.04707
0.00000
27
-0.05096
0.04707
0.00000
28
0.05096
0.04707
0.00000
29
0.01179
0.00000
0.00000
30
-0.01179
0.00000
0.00000
31
0.07108
0.13768
0.00000
32
-0.07108
0.13768
0.00000
33
0.07108
-0.13768
0.00000
34
-0.07108
-0.13768
0.00000
35
-0.01227
-0.04728
0.00000
36
0.01227
-0.04728
0.00000
37
-0.01227
0.04728
0.00000
38
0.01227
0.04728
0.00000
39
-0.10570
-0.01966
0.00000
40
0.10570
-0.01966
0.00000
41
-0.10570
0.01966
0.00000
42
0.10570
0.01966
0.00000