Charge: 0
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.56700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04554
0.00000
0.03864
2
0.04554
0.00000
-0.03865
3
-0.06019
0.00000
-0.05406
4
-0.00462
0.00000
-0.09250
5
-0.06019
0.00000
0.05406
6
-0.00462
0.00000
0.09250
7
0.06104
0.00000
-0.05423
8
0.00328
0.00000
0.04006
9
0.06104
0.00000
0.05423
10
0.00328
0.00000
-0.04006
11
-0.01189
0.00000
0.00630
12
0.01837
0.00000
0.01402
13
-0.01189
0.00000
-0.00630
14
0.01837
0.00000
-0.01402
15
-0.01441
0.00000
0.02405
16
-0.03205
0.00000
-0.00590
17
-0.01441
0.00000
-0.02405
18
-0.03205
0.00000
0.00590
19
-0.00511
0.00000
0.04386
20
-0.00511
0.00000
-0.04386
21
0.03893
0.00000
-0.00704
22
0.03893
0.00000
0.00704
23
-0.01576
0.00000
0.01319
24
-0.03676
0.00000
0.10089
25
-0.01576
0.00000
-0.01320
26
-0.03677
0.00000
-0.10090
27
-0.18272
0.00000
-0.08708
28
-0.06474
0.00000
-0.03046
29
-0.18272
0.00000
0.08707
30
-0.06474
0.00000
0.03046
31
-0.15996
0.00000
0.13038
32
-0.15996
0.00000
-0.13038
33
-0.00313
0.00000
0.04403
34
-0.00313
0.00000
-0.04403