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
0.04970
0.00000
2
0.00000
-0.04970
0.00000
3
0.00120
-0.02085
0.00000
4
0.00120
0.02085
0.00000
5
-0.00120
-0.02085
0.00000
6
-0.00120
0.02085
0.00000
7
0.02009
-0.03345
0.00000
8
0.02009
0.03345
0.00000
9
-0.02009
-0.03345
0.00000
10
-0.02009
0.03345
0.00000
11
0.00849
0.02111
0.00000
12
0.00849
-0.02111
0.00000
13
-0.00849
0.02111
0.00000
14
-0.00849
-0.02111
0.00000
15
0.00000
-0.06812
0.00000
16
0.00000
0.06812
0.00000
17
0.01263
0.05850
0.00000
18
0.01263
-0.05850
0.00000
19
-0.01263
0.05850
0.00000
20
-0.01263
-0.05850
0.00000
21
-0.01590
-0.05477
0.00000
22
-0.01590
0.05477
0.00000
23
0.01590
-0.05477
0.00000
24
0.01590
0.05477
0.00000
25
-0.03817
0.04477
0.00000
26
-0.03817
-0.04477
0.00000
27
0.03817
0.04477
0.00000
28
0.03817
-0.04477
0.00000
29
0.00000
0.13334
0.00000
30
0.00000
-0.13334
0.00000
31
0.01957
-0.10273
0.00000
32
0.01957
0.10273
0.00000
33
-0.01957
-0.10273
0.00000
34
-0.01957
0.10273
0.00000
35
0.10672
0.00820
0.00000
36
0.10672
-0.00820
0.00000
37
-0.10672
0.00820
0.00000
38
-0.10672
-0.00820
0.00000
39
0.14180
-0.04748
0.00000
40
0.14180
0.04748
0.00000
41
-0.14180
-0.04748
0.00000
42
-0.14180
0.04748
0.00000