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)
-1.74200
Diff mu Y
(Debye)
-0.00200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00119
0.00001
0.00000
2
-0.00119
0.00001
0.00000
3
-0.01088
-0.04935
0.00000
4
-0.01091
0.04932
0.00000
5
-0.01091
0.04932
0.00000
6
-0.01088
-0.04935
0.00000
7
-0.00124
0.06172
0.00000
8
-0.00118
-0.06171
0.00000
9
-0.00118
-0.06171
0.00000
10
-0.00124
0.06172
0.00000
11
0.00189
0.05576
0.00000
12
0.00191
-0.05567
0.00000
13
0.00191
-0.05567
0.00000
14
0.00189
0.05576
0.00000
15
-0.00863
-0.00005
0.00000
16
-0.00863
-0.00005
0.00000
17
-0.00639
-0.07563
0.00000
18
-0.00641
0.07557
0.00000
19
-0.00641
0.07557
0.00000
20
-0.00639
-0.07563
0.00000
21
0.01982
0.04512
0.00000
22
0.01985
-0.04510
0.00000
23
0.01985
-0.04510
0.00000
24
0.01982
0.04512
0.00000
25
0.01314
-0.03323
0.00000
26
0.01307
0.03320
0.00000
27
0.01307
0.03320
0.00000
28
0.01314
-0.03323
0.00000
29
-0.01252
0.00010
0.00000
30
-0.01252
0.00010
0.00000
31
-0.01077
0.12215
0.00000
32
-0.01078
-0.12203
0.00000
33
-0.01078
-0.12203
0.00000
34
-0.01077
0.12215
0.00000
35
-0.06245
0.00324
0.00000
36
-0.06246
-0.00318
0.00000
37
-0.06246
-0.00318
0.00000
38
-0.06245
0.00324
0.00000
39
-0.05664
0.00036
0.00000
40
-0.05648
-0.00027
0.00000
41
-0.05648
-0.00027
0.00000
42
-0.05664
0.00036
0.00000