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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.10437
2
0.00000
0.00000
0.10437
3
0.00000
0.00000
0.06695
4
0.00000
0.00000
-0.06695
5
0.00000
0.00000
0.06695
6
0.00000
0.00000
-0.06695
7
0.00000
0.00000
0.00346
8
0.00000
0.00000
-0.00346
9
0.00000
0.00000
0.00346
10
0.00000
0.00000
-0.00346
11
0.00000
0.00000
-0.01754
12
0.00000
0.00000
0.01754
13
0.00000
0.00000
-0.01754
14
0.00000
0.00000
0.01754
15
0.00000
0.00000
0.01853
16
0.00000
0.00000
-0.01853
17
0.00000
0.00000
-0.02319
18
0.00000
0.00000
0.02319
19
0.00000
0.00000
-0.02319
20
0.00000
0.00000
0.02319
21
0.00000
0.00000
-0.02214
22
0.00000
0.00000
0.02214
23
0.00000
0.00000
-0.02214
24
0.00000
0.00000
0.02214
25
0.00000
0.00000
-0.02505
26
0.00000
0.00000
0.02505
27
0.00000
0.00000
-0.02505
28
0.00000
0.00000
0.02505
29
0.00000
0.00000
-0.03314
30
0.00000
0.00000
0.03314
31
0.00000
0.00000
0.19604
32
0.00000
0.00000
-0.19604
33
0.00000
0.00000
0.19604
34
0.00000
0.00000
-0.19604
35
0.00000
0.00000
0.19904
36
0.00000
0.00000
-0.19904
37
0.00000
0.00000
0.19904
38
0.00000
0.00000
-0.19904
39
0.00000
0.00000
0.16022
40
0.00000
0.00000
-0.16022
41
0.00000
0.00000
0.16022
42
0.00000
0.00000
-0.16022