Charge: -1
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-1
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
0.03800
0.04068
0.00000
2
-0.03800
-0.04068
0.00000
3
0.03338
0.04861
0.00000
4
-0.04203
-0.04896
0.00000
5
0.04203
0.04896
0.00000
6
-0.03338
-0.04861
0.00000
7
0.06244
0.02526
0.00000
8
-0.02347
-0.05357
0.00000
9
0.02347
0.05357
0.00000
10
-0.06244
-0.02526
0.00000
11
-0.05340
-0.00438
0.00000
12
0.03587
0.01321
0.00000
13
-0.03587
-0.01321
0.00000
14
0.05340
0.00438
0.00000
15
-0.08107
-0.00045
0.00000
16
0.08107
0.00045
0.00000
17
-0.01678
-0.02319
0.00000
18
0.01678
0.02319
0.00000
19
-0.00571
-0.02176
0.00000
20
0.00571
0.02176
0.00000
21
0.07275
0.03619
0.00000
22
-0.07275
-0.03619
0.00000
23
-0.08790
-0.00684
0.00000
24
0.08790
0.00684
0.00000
25
0.01385
0.00540
0.00000
26
-0.01385
-0.00540
0.00000
27
-0.05891
-0.00240
0.00000
28
0.05891
0.00240
0.00000
29
-0.01927
-0.09138
0.00000
30
0.01927
0.09138
0.00000
31
0.00639
0.13187
0.00000
32
-0.00639
-0.13187
0.00000
33
0.06186
0.08854
0.00000
34
-0.06186
-0.08854
0.00000