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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.04733
2
0.00000
0.00000
0.04733
3
0.00000
0.00000
-0.06992
4
0.00000
0.00000
0.06992
5
0.00000
0.00000
-0.06992
6
0.00000
0.00000
0.06992
7
0.00000
0.00000
-0.04124
8
0.00000
0.00000
0.04124
9
0.00000
0.00000
-0.04124
10
0.00000
0.00000
0.04124
11
0.00000
0.00000
-0.03545
12
0.00000
0.00000
0.03545
13
0.00000
0.00000
-0.03545
14
0.00000
0.00000
0.03545
15
0.00000
0.00000
-0.01501
16
0.00000
0.00000
0.01501
17
0.00000
0.00000
0.06141
18
0.00000
0.00000
-0.06141
19
0.00000
0.00000
0.06141
20
0.00000
0.00000
-0.06141
21
0.00000
0.00000
0.02484
22
0.00000
0.00000
-0.02484
23
0.00000
0.00000
0.02484
24
0.00000
0.00000
-0.02484
25
0.00000
0.00000
-0.06312
26
0.00000
0.00000
0.06312
27
0.00000
0.00000
-0.06312
28
0.00000
0.00000
0.06312
29
0.00000
0.00000
0.04245
30
0.00000
0.00000
-0.04245
31
0.00000
0.00000
0.15071
32
0.00000
0.00000
-0.15071
33
0.00000
0.00000
0.15071
34
0.00000
0.00000
-0.15071
35
0.00000
0.00000
0.06613
36
0.00000
0.00000
-0.06613
37
0.00000
0.00000
0.06613
38
0.00000
0.00000
-0.06613
39
0.00000
0.00000
-0.11081
40
0.00000
0.00000
0.11081
41
0.00000
0.00000
-0.11081
42
0.00000
0.00000
0.11081