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)
-1074.10796
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)
0.00789 b
(cm-1)
0.00764 c
(cm-1)
0.00388
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
0.05157
0.00000
0.00000
2
-0.05157
0.00000
0.00000
3
-0.02188
-0.01414
0.00000
4
0.02188
-0.01413
0.00000
5
-0.02188
0.01414
0.00000
6
0.02188
0.01413
0.00000
7
0.02278
0.00177
0.00000
8
-0.02278
0.00177
0.00000
9
0.02278
-0.00177
0.00000
10
-0.02278
-0.00177
0.00000
11
-0.00357
0.05927
0.00000
12
0.00357
0.05928
0.00000
13
-0.00357
-0.05927
0.00000
14
0.00357
-0.05928
0.00000
15
-0.01062
0.00000
0.00000
16
0.01063
0.00000
0.00000
17
0.03307
-0.03144
0.00000
18
-0.03307
-0.03144
0.00000
19
0.03307
0.03144
0.00000
20
-0.03307
0.03144
0.00000
21
-0.06829
-0.02956
0.00000
22
0.06830
-0.02956
0.00000
23
-0.06829
0.02956
0.00000
24
0.06830
0.02956
0.00000
25
0.01954
0.01629
0.00000
26
-0.01955
0.01629
0.00000
27
0.01954
-0.01629
0.00000
28
-0.01955
-0.01629
0.00000
29
-0.01412
0.00000
0.00000
30
0.01412
0.00000
0.00000
31
0.03665
0.14370
0.00000
32
-0.03665
0.14372
0.00000
33
0.03665
-0.14370
0.00000
34
-0.03665
-0.14372
0.00000
35
0.18399
0.11383
0.00000
36
-0.18400
0.11384
0.00000
37
0.18399
-0.11383
0.00000
38
-0.18401
-0.11384
0.00000
39
0.08758
-0.01577
0.00000
40
-0.08758
-0.01576
0.00000
41
0.08758
0.01577
0.00000
42
-0.08757
0.01576
0.00000