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)
-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)
-1.63100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01350
0.00000
0.01440
2
0.01350
0.00000
-0.01441
3
-0.03995
0.00000
0.02342
4
-0.02255
0.00000
-0.00492
5
-0.03995
0.00000
-0.02342
6
-0.02255
0.00000
0.00492
7
0.01929
0.00000
-0.02474
8
0.02227
0.00000
0.02074
9
0.01930
0.00000
0.02474
10
0.02227
0.00000
-0.02074
11
0.03567
0.00000
0.05696
12
-0.00677
0.00000
-0.02723
13
0.03567
0.00000
-0.05697
14
-0.00677
0.00000
0.02722
15
-0.05018
0.00000
-0.04628
16
-0.02655
0.00000
0.01932
17
-0.05018
0.00000
0.04629
18
-0.02655
0.00000
-0.01932
19
-0.01045
0.00000
0.02193
20
-0.01045
0.00000
-0.02193
21
0.04533
0.00000
-0.00846
22
0.04534
0.00000
0.00846
23
-0.05792
0.00000
-0.32584
24
-0.02862
0.00000
0.02908
25
-0.05792
0.00000
0.32589
26
-0.02862
0.00000
-0.02906
27
0.32266
0.00000
0.22962
28
-0.02594
0.00000
-0.03965
29
0.32269
0.00000
-0.22965
30
-0.02592
0.00000
0.03963
31
0.04328
0.00000
0.01185
32
0.04329
0.00000
-0.01184
33
-0.01077
0.00000
0.02398
34
-0.01079
0.00000
-0.02397