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)
-0.23900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00423
0.00000
2
0.00000
0.00423
0.00000
3
0.03939
0.02034
0.00000
4
-0.03939
0.02034
0.00000
5
-0.03939
0.02034
0.00000
6
0.03939
0.02034
0.00000
7
0.02226
-0.01686
0.00000
8
-0.02226
-0.01686
0.00000
9
-0.02226
-0.01686
0.00000
10
0.02226
-0.01686
0.00000
11
-0.00925
0.01112
0.00000
12
0.00925
0.01112
0.00000
13
0.00925
0.01112
0.00000
14
-0.00925
0.01112
0.00000
15
0.00000
-0.00608
0.00000
16
0.00000
-0.00608
0.00000
17
0.00181
0.00774
0.00000
18
-0.00181
0.00774
0.00000
19
-0.00181
0.00774
0.00000
20
0.00181
0.00774
0.00000
21
-0.03118
-0.00252
0.00000
22
0.03118
-0.00252
0.00000
23
0.03118
-0.00252
0.00000
24
-0.03118
-0.00252
0.00000
25
0.03480
-0.00358
0.00000
26
-0.03480
-0.00358
0.00000
27
-0.03480
-0.00358
0.00000
28
0.03480
-0.00358
0.00000
29
0.00000
-0.13732
0.00000
30
0.00000
-0.13732
0.00000
31
0.00029
0.12704
0.00000
32
-0.00029
0.12704
0.00000
33
-0.00029
0.12705
0.00000
34
0.00029
0.12705
0.00000
35
-0.31123
-0.16342
0.00000
36
0.31124
-0.16342
0.00000
37
0.31124
-0.16342
0.00000
38
-0.31124
-0.16342
0.00000
39
0.17449
-0.07741
0.00000
40
-0.17449
-0.07741
0.00000
41
-0.17449
-0.07741
0.00000
42
0.17449
-0.07741
0.00000