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)
1.06800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00022
2
0.00000
0.00000
-0.00022
3
0.00000
0.00000
-0.00231
4
0.00000
0.00000
-0.00231
5
0.00000
0.00000
-0.00231
6
0.00000
0.00000
-0.00231
7
0.00000
0.00000
0.01205
8
0.00000
0.00000
0.01205
9
0.00000
0.00000
0.01205
10
0.00000
0.00000
0.01205
11
0.00000
0.00000
0.03223
12
0.00000
0.00000
0.03223
13
0.00000
0.00000
0.03223
14
0.00000
0.00000
0.03223
15
0.00000
0.00000
-0.08273
16
0.00000
0.00000
-0.08273
17
0.00000
0.00000
0.01634
18
0.00000
0.00000
0.01634
19
0.00000
0.00000
0.01634
20
0.00000
0.00000
0.01634
21
0.00000
0.00000
-0.00938
22
0.00000
0.00000
-0.00938
23
0.00000
0.00000
-0.00938
24
0.00000
0.00000
-0.00938
25
0.00000
0.00000
-0.03996
26
0.00000
0.00000
-0.03996
27
0.00000
0.00000
-0.03996
28
0.00000
0.00000
-0.03996
29
0.00000
0.00000
0.42776
30
0.00000
0.00000
0.42776
31
0.00000
0.00000
-0.14643
32
0.00000
0.00000
-0.14643
33
0.00000
0.00000
-0.14643
34
0.00000
0.00000
-0.14643
35
0.00000
0.00000
0.10529
36
0.00000
0.00000
0.10529
37
0.00000
0.00000
0.10529
38
0.00000
0.00000
0.10529
39
0.00000
0.00000
0.21423
40
0.00000
0.00000
0.21423
41
0.00000
0.00000
0.21423
42
0.00000
0.00000
0.21423