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)
0.76700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00151
2
0.00000
0.00000
-0.00151
3
0.00000
0.00000
0.00004
4
0.00000
0.00000
0.00004
5
0.00000
0.00000
0.00004
6
0.00000
0.00000
0.00004
7
0.00000
0.00000
0.01114
8
0.00000
0.00000
0.01114
9
0.00000
0.00000
0.01114
10
0.00000
0.00000
0.01114
11
0.00000
0.00000
0.02191
12
0.00000
0.00000
0.02191
13
0.00000
0.00000
0.02191
14
0.00000
0.00000
0.02191
15
0.00000
0.00000
-0.07478
16
0.00000
0.00000
-0.07478
17
0.00000
0.00000
0.03193
18
0.00000
0.00000
0.03193
19
0.00000
0.00000
0.03193
20
0.00000
0.00000
0.03193
21
0.00000
0.00000
-0.01024
22
0.00000
0.00000
-0.01024
23
0.00000
0.00000
-0.01024
24
0.00000
0.00000
-0.01024
25
0.00000
0.00000
-0.04143
26
0.00000
0.00000
-0.04143
27
0.00000
0.00000
-0.04143
28
0.00000
0.00000
-0.04143
29
0.00000
0.00000
0.38533
30
0.00000
0.00000
0.38533
31
0.00000
0.00000
-0.20570
32
0.00000
0.00000
-0.20570
33
0.00000
0.00000
-0.20570
34
0.00000
0.00000
-0.20570
35
0.00000
0.00000
0.08458
36
0.00000
0.00000
0.08458
37
0.00000
0.00000
0.08458
38
0.00000
0.00000
0.08458
39
0.00000
0.00000
0.22366
40
0.00000
0.00000
0.22366
41
0.00000
0.00000
0.22366
42
0.00000
0.00000
0.22366