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)
-0.02200
Diff mu Y
(Debye)
0.17000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03575
0.05482
0.00000
2
-0.03575
0.05482
0.00000
3
0.02950
0.02591
0.00000
4
-0.02489
0.00417
0.00000
5
-0.02489
0.00417
0.00000
6
0.02950
0.02591
0.00000
7
0.05373
-0.06014
0.00000
8
0.07004
-0.04621
0.00000
9
0.07004
-0.04621
0.00000
10
0.05373
-0.06014
0.00000
11
0.02193
0.03172
0.00000
12
-0.01198
0.02844
0.00000
13
-0.01198
0.02844
0.00000
14
0.02193
0.03172
0.00000
15
0.03619
0.01783
0.00000
16
0.03619
0.01783
0.00000
17
-0.05352
0.04598
0.00000
18
-0.05352
0.04598
0.00000
19
-0.04707
-0.04833
0.00000
20
-0.04707
-0.04833
0.00000
21
-0.04086
-0.05454
0.00000
22
-0.04086
-0.05454
0.00000
23
0.05494
0.03694
0.00000
24
0.05494
0.03694
0.00000
25
-0.04770
0.04974
0.00000
26
-0.04770
0.04974
0.00000
27
0.02016
-0.06991
0.00000
28
0.02016
-0.06991
0.00000
29
-0.02178
0.07576
0.00000
30
-0.02178
0.07576
0.00000
31
0.08034
-0.10240
0.00000
32
0.08034
-0.10240
0.00000
33
-0.05409
0.01421
0.00000
34
-0.05409
0.01421
0.00000