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)
0.09200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.08014
2
0.00000
0.00000
0.08014
3
0.00000
0.00000
0.03508
4
0.00000
0.00000
0.03508
5
0.00000
0.00000
0.03508
6
0.00000
0.00000
0.03508
7
0.00000
0.00000
-0.02095
8
0.00000
0.00000
-0.02095
9
0.00000
0.00000
-0.02095
10
0.00000
0.00000
-0.02095
11
0.00000
0.00000
-0.02364
12
0.00000
0.00000
-0.02364
13
0.00000
0.00000
-0.02364
14
0.00000
0.00000
-0.02364
15
0.00000
0.00000
-0.10536
16
0.00000
0.00000
-0.10536
17
0.00000
0.00000
0.03841
18
0.00000
0.00000
0.03841
19
0.00000
0.00000
0.03841
20
0.00000
0.00000
0.03841
21
0.00000
0.00000
0.04195
22
0.00000
0.00000
0.04195
23
0.00000
0.00000
0.04195
24
0.00000
0.00000
0.04195
25
0.00000
0.00000
-0.05356
26
0.00000
0.00000
-0.05356
27
0.00000
0.00000
-0.05356
28
0.00000
0.00000
-0.05356
29
0.00000
0.00000
-0.18863
30
0.00000
0.00000
-0.18863
31
0.00000
0.00000
0.07066
32
0.00000
0.00000
0.07066
33
0.00000
0.00000
0.07066
34
0.00000
0.00000
0.07066
35
0.00000
0.00000
0.08702
36
0.00000
0.00000
0.08702
37
0.00000
0.00000
0.08702
38
0.00000
0.00000
0.08702
39
0.00000
0.00000
-0.11900
40
0.00000
0.00000
-0.11900
41
0.00000
0.00000
-0.11900
42
0.00000
0.00000
-0.11900