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
0.00000
0.05152
0.00000
2
0.00000
-0.05152
0.00000
3
-0.01041
0.05447
0.00000
4
-0.01041
-0.05447
0.00000
5
0.01041
0.05447
0.00000
6
0.01041
-0.05447
0.00000
7
0.05908
0.01982
0.00000
8
0.05908
-0.01982
0.00000
9
-0.05908
0.01982
0.00000
10
-0.05908
-0.01982
0.00000
11
-0.04569
0.01383
0.00000
12
-0.04569
-0.01383
0.00000
13
0.04569
0.01383
0.00000
14
0.04569
-0.01383
0.00000
15
0.00000
-0.01308
0.00000
16
0.00000
0.01308
0.00000
17
-0.07040
-0.00302
0.00000
18
-0.07040
0.00302
0.00000
19
0.07040
-0.00302
0.00000
20
0.07040
0.00302
0.00000
21
0.01729
-0.05270
0.00000
22
0.01729
0.05270
0.00000
23
-0.01729
-0.05270
0.00000
24
-0.01729
0.05270
0.00000
25
0.02675
-0.01489
0.00000
26
0.02675
0.01489
0.00000
27
-0.02675
-0.01489
0.00000
28
-0.02675
0.01489
0.00000
29
0.00000
-0.06135
0.00000
30
0.00000
0.06135
0.00000
31
-0.07097
0.04425
0.00000
32
-0.07097
-0.04425
0.00000
33
0.07097
0.04425
0.00000
34
0.07097
-0.04425
0.00000
35
0.05583
-0.03020
0.00000
36
0.05583
0.03020
0.00000
37
-0.05583
-0.03020
0.00000
38
-0.05583
0.03020
0.00000
39
-0.03408
0.01686
0.00000
40
-0.03408
-0.01686
0.00000
41
0.03408
0.01686
0.00000
42
0.03408
-0.01686
0.00000