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
-0.06104
-0.01294
0.00000
2
0.06104
0.01294
0.00000
3
0.00981
0.03533
0.00000
4
0.02545
0.06072
0.00000
5
-0.02545
-0.06072
0.00000
6
-0.00981
-0.03533
0.00000
7
0.02264
-0.01271
0.00000
8
-0.04742
-0.00909
0.00000
9
0.04742
0.00909
0.00000
10
-0.02264
0.01271
0.00000
11
0.08047
0.06587
0.00000
12
0.01161
0.01297
0.00000
13
-0.01161
-0.01297
0.00000
14
-0.08047
-0.06587
0.00000
15
-0.02548
0.03131
0.00000
16
0.02548
-0.03131
0.00000
17
0.02125
-0.02426
0.00000
18
-0.02125
0.02426
0.00000
19
-0.01748
-0.01103
0.00000
20
0.01748
0.01103
0.00000
21
-0.00320
-0.01657
0.00000
22
0.00320
0.01657
0.00000
23
-0.17122
-0.08932
0.00000
24
0.17122
0.08932
0.00000
25
-0.18116
-0.21296
0.00000
26
0.18116
0.21296
0.00000
27
-0.08421
0.00874
0.00000
28
0.08421
-0.00874
0.00000
29
-0.00944
-0.05285
0.00000
30
0.00944
0.05285
0.00000
31
0.01046
0.21736
0.00000
32
-0.01046
-0.21736
0.00000
33
-0.01268
0.02588
0.00000
34
0.01268
-0.02588
0.00000