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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.25800
Eigenvectors
#
X
Y
Z
1
0.00038
0.00000
-0.00001
2
-0.00038
0.00000
-0.00001
3
-0.00009
0.00000
0.00008
4
0.00006
0.00000
-0.00024
5
0.00009
0.00000
0.00008
6
-0.00006
0.00000
-0.00024
7
-0.00021
0.00000
-0.00013
8
-0.00215
0.00000
-0.00541
9
0.00021
0.00000
-0.00013
10
0.00215
0.00000
-0.00541
11
0.00486
0.00000
-0.00909
12
-0.01810
0.00000
0.02849
13
-0.00485
0.00000
-0.00909
14
0.01811
0.00000
0.02850
15
-0.00335
0.00000
0.00045
16
0.04469
0.00000
-0.00003
17
0.00335
0.00000
0.00045
18
-0.04471
0.00000
-0.00003
19
-0.00078
0.00000
0.00109
20
0.00079
0.00000
0.00109
21
0.00001
0.00000
0.00137
22
-0.00001
0.00000
0.00137
23
0.04313
0.00000
-0.00205
24
-0.52314
0.00000
-0.00752
25
-0.04308
0.00000
-0.00205
26
0.52331
0.00000
-0.00752
27
-0.05746
0.00000
0.10304
28
0.20476
0.00000
-0.34551
29
0.05742
0.00000
0.10297
30
-0.20483
0.00000
-0.34564
31
0.03503
0.00000
0.06709
32
-0.03505
0.00000
0.06713
33
0.00769
0.00000
-0.01246
34
-0.00770
0.00000
-0.01249