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)
-0.70100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.08294
2
0.00000
0.00000
-0.08294
3
0.00000
0.00000
0.04300
4
0.00000
0.00000
0.04300
5
0.00000
0.00000
0.04300
6
0.00000
0.00000
0.04300
7
0.00000
0.00000
-0.04590
8
0.00000
0.00000
-0.04590
9
0.00000
0.00000
-0.04590
10
0.00000
0.00000
-0.04590
11
0.00000
0.00000
0.08708
12
0.00000
0.00000
0.08708
13
0.00000
0.00000
0.08708
14
0.00000
0.00000
0.08708
15
0.00000
0.00000
-0.04402
16
0.00000
0.00000
-0.04402
17
0.00000
0.00000
-0.02160
18
0.00000
0.00000
-0.02160
19
0.00000
0.00000
-0.02160
20
0.00000
0.00000
-0.02160
21
0.00000
0.00000
0.01020
22
0.00000
0.00000
0.01020
23
0.00000
0.00000
0.01020
24
0.00000
0.00000
0.01020
25
0.00000
0.00000
0.01113
26
0.00000
0.00000
0.01113
27
0.00000
0.00000
0.01113
28
0.00000
0.00000
0.01113
29
0.00000
0.00000
-0.26283
30
0.00000
0.00000
-0.26283
31
0.00000
0.00000
-0.12232
32
0.00000
0.00000
-0.12232
33
0.00000
0.00000
-0.12232
34
0.00000
0.00000
-0.12232
35
0.00000
0.00000
-0.00799
36
0.00000
0.00000
-0.00799
37
0.00000
0.00000
-0.00799
38
0.00000
0.00000
-0.00799
39
0.00000
0.00000
0.01837
40
0.00000
0.00000
0.01837
41
0.00000
0.00000
0.01837
42
0.00000
0.00000
0.01837