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)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.35900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02416
0.00000
0.03439
2
0.02416
0.00000
-0.03439
3
-0.00748
0.00000
0.04765
4
0.01594
0.00000
-0.04671
5
-0.00748
0.00000
-0.04765
6
0.01594
0.00000
0.04670
7
-0.01585
0.00000
0.06217
8
-0.02835
0.00000
-0.07913
9
-0.01585
0.00000
-0.06217
10
-0.02835
0.00000
0.07913
11
-0.01958
0.00000
-0.03810
12
-0.03526
0.00000
-0.00596
13
-0.01958
0.00000
0.03810
14
-0.03526
0.00000
0.00596
15
0.03177
0.00000
-0.08177
16
-0.02811
0.00000
0.01487
17
0.03177
0.00000
0.08177
18
-0.02811
0.00000
-0.01487
19
0.02939
0.00000
0.05547
20
0.02939
0.00000
-0.05547
21
0.03320
0.00000
-0.04470
22
0.03320
0.00000
0.04470
23
0.03209
0.00000
-0.11290
24
-0.02709
0.00000
-0.03685
25
0.03209
0.00000
0.11289
26
-0.02709
0.00000
0.03685
27
-0.09922
0.00000
-0.08451
28
0.01109
0.00000
0.02141
29
-0.09922
0.00000
0.08452
30
0.01109
0.00000
-0.02140
31
-0.01448
0.00000
-0.08725
32
-0.01448
0.00000
0.08725
33
0.09959
0.00000
0.09740
34
0.09959
0.00000
-0.09740