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)
-1073.90161
Description
D0
Multiplicity
2
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)
0.00793 b
(cm-1)
0.00763 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)
0.05700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03930
0.00000
0.00000
2
0.03930
0.00000
0.00000
3
-0.04789
0.03940
0.00000
4
-0.04789
-0.03940
0.00000
5
-0.04789
-0.03940
0.00000
6
-0.04789
0.03940
0.00000
7
0.00283
-0.05589
0.00000
8
0.00283
0.05589
0.00000
9
0.00283
0.05589
0.00000
10
0.00283
-0.05589
0.00000
11
0.04505
0.03320
0.00000
12
0.04505
-0.03320
0.00000
13
0.04505
-0.03320
0.00000
14
0.04505
0.03320
0.00000
15
-0.02877
0.00000
0.00000
16
-0.02877
0.00000
0.00000
17
0.00675
-0.04615
0.00000
18
0.00675
0.04615
0.00000
19
0.00675
0.04615
0.00000
20
0.00675
-0.04615
0.00000
21
-0.04150
0.00080
0.00000
22
-0.04150
-0.00080
0.00000
23
-0.04150
-0.00080
0.00000
24
-0.04150
0.00080
0.00000
25
0.02497
0.01615
0.00000
26
0.02497
-0.01615
0.00000
27
0.02497
-0.01615
0.00000
28
0.02497
0.01615
0.00000
29
-0.03656
0.00000
0.00000
30
-0.03656
0.00000
0.00000
31
0.00443
0.18636
0.00000
32
0.00443
-0.18636
0.00000
33
0.00443
-0.18636
0.00000
34
0.00443
0.18636
0.00000
35
0.10030
0.08575
0.00000
36
0.10030
-0.08575
0.00000
37
0.10030
-0.08575
0.00000
38
0.10030
0.08575
0.00000
39
-0.03258
0.05216
0.00000
40
-0.03258
-0.05216
0.00000
41
-0.03258
-0.05216
0.00000
42
-0.03258
0.05216
0.00000