Charge: 0
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
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00005
0.00000
0.00000
2
0.00005
0.00000
0.00000
3
0.00003
0.00003
0.00000
4
-0.00003
0.00003
0.00000
5
0.00003
-0.00003
0.00000
6
-0.00003
-0.00003
0.00000
7
0.00005
-0.00007
0.00000
8
-0.00005
-0.00007
0.00000
9
0.00005
0.00007
0.00000
10
-0.00005
0.00007
0.00000
11
0.00037
0.00302
0.00000
12
-0.00037
0.00302
0.00000
13
0.00037
-0.00302
0.00000
14
-0.00037
-0.00302
0.00000
15
-0.05147
0.00000
0.00000
16
0.05147
0.00000
0.00000
17
0.01926
0.00008
0.00000
18
-0.01926
0.00008
0.00000
19
0.01926
-0.00008
0.00000
20
-0.01926
-0.00008
0.00000
21
-0.00405
0.00495
0.00000
22
0.00405
0.00495
0.00000
23
-0.00405
-0.00495
0.00000
24
0.00405
-0.00495
0.00000
25
0.00053
0.00089
0.00000
26
-0.00053
0.00089
0.00000
27
0.00053
-0.00089
0.00000
28
-0.00053
-0.00089
0.00000
29
0.58864
0.00000
0.00000
30
-0.58864
0.00000
0.00000
31
-0.21855
-0.00256
0.00000
32
0.21855
-0.00256
0.00000
33
-0.21855
0.00256
0.00000
34
0.21855
0.00256
0.00000
35
0.03964
-0.06775
0.00000
36
-0.03964
-0.06775
0.00000
37
0.03964
0.06775
0.00000
38
-0.03964
0.06775
0.00000
39
-0.00414
-0.00796
0.00000
40
0.00414
-0.00796
0.00000
41
-0.00414
0.00796
0.00000
42
0.00414
0.00796
0.00000