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
-0.00703
0.05515
0.00000
2
0.00703
-0.05515
0.00000
3
-0.04270
0.09122
0.00000
4
0.03129
-0.02555
0.00000
5
-0.03129
0.02555
0.00000
6
0.04270
-0.09122
0.00000
7
-0.01510
-0.00654
0.00000
8
0.04214
-0.02705
0.00000
9
-0.04214
0.02705
0.00000
10
0.01510
0.00654
0.00000
11
-0.03463
0.03379
0.00000
12
-0.02030
0.00001
0.00000
13
0.02030
-0.00001
0.00000
14
0.03463
-0.03379
0.00000
15
0.04532
-0.04659
0.00000
16
-0.04532
0.04659
0.00000
17
0.05547
-0.07603
0.00000
18
-0.05547
0.07603
0.00000
19
-0.01172
0.01137
0.00000
20
0.01172
-0.01137
0.00000
21
-0.03188
0.00534
0.00000
22
0.03188
-0.00534
0.00000
23
-0.01498
-0.09807
0.00000
24
0.01498
0.09807
0.00000
25
0.10467
-0.03048
0.00000
26
-0.10467
0.03048
0.00000
27
-0.19039
0.06754
0.00000
28
0.19039
-0.06754
0.00000
29
-0.00206
0.13043
0.00000
30
0.00206
-0.13043
0.00000
31
-0.03443
-0.00949
0.00000
32
0.03443
0.00949
0.00000
33
-0.03149
-0.00527
0.00000
34
0.03149
0.00527
0.00000