Charge: 2
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q+2
Electronic States
Energy
(eV)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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
0.08583
2
0.00000
0.00000
-0.08583
3
0.00000
0.00000
0.01371
4
0.00000
0.00000
-0.04766
5
0.00000
0.00000
0.04766
6
0.00000
0.00000
-0.01371
7
0.00000
0.00000
-0.07766
8
0.00000
0.00000
0.04314
9
0.00000
0.00000
-0.04314
10
0.00000
0.00000
0.07766
11
0.00000
0.00000
0.01257
12
0.00000
0.00000
0.04385
13
0.00000
0.00000
-0.04385
14
0.00000
0.00000
-0.01257
15
0.00000
0.00000
0.05268
16
0.00000
0.00000
-0.05268
17
0.00000
0.00000
-0.06935
18
0.00000
0.00000
0.06935
19
0.00000
0.00000
0.06188
20
0.00000
0.00000
-0.06188
21
0.00000
0.00000
-0.03806
22
0.00000
0.00000
0.03806
23
0.00000
0.00000
0.03581
24
0.00000
0.00000
-0.03581
25
0.00000
0.00000
-0.09737
26
0.00000
0.00000
0.09737
27
0.00000
0.00000
0.17912
28
0.00000
0.00000
-0.17912
29
0.00000
0.00000
-0.15573
30
0.00000
0.00000
0.15573
31
0.00000
0.00000
-0.19731
32
0.00000
0.00000
0.19731
33
0.00000
0.00000
0.03449
34
0.00000
0.00000
-0.03449