Charge: 1
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/q+1
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)
0.53400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02666
0.00000
0.07915
2
0.02666
0.00000
-0.07916
3
-0.03347
0.00000
-0.01892
4
0.03031
0.00000
0.04771
5
-0.03347
0.00000
0.01892
6
0.03030
0.00000
-0.04771
7
0.04076
0.00000
-0.03619
8
-0.05154
0.00000
0.03434
9
0.04076
0.00000
0.03618
10
-0.05154
0.00000
-0.03434
11
0.01226
0.00000
0.04431
12
-0.02237
0.00000
-0.04572
13
0.01225
0.00000
-0.04431
14
-0.02237
0.00000
0.04572
15
-0.00710
0.00000
-0.03062
16
0.03068
0.00000
-0.00016
17
-0.00710
0.00000
0.03062
18
0.03068
0.00000
0.00016
19
-0.02125
0.00000
-0.00285
20
-0.02125
0.00000
0.00285
21
-0.04541
0.00000
-0.03363
22
-0.04541
0.00000
0.03363
23
-0.01276
0.00000
-0.00485
24
0.03746
0.00000
-0.01943
25
-0.01275
0.00000
0.00483
26
0.03746
0.00000
0.01945
27
-0.10324
0.00000
-0.01566
28
0.19557
0.00000
0.07562
29
-0.10322
0.00000
0.01565
30
0.19556
0.00000
-0.07561
31
0.25205
0.00000
-0.12416
32
0.25204
0.00000
0.12416
33
0.11309
0.00000
0.07312
34
0.11309
0.00000
-0.07312