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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.05900
Eigenvectors
#
X
Y
Z
1
0.05417
0.00000
0.00668
2
-0.05417
0.00000
0.00668
3
0.00109
0.00000
0.01817
4
-0.01273
0.00000
-0.01102
5
-0.00109
0.00000
0.01817
6
0.01273
0.00000
-0.01102
7
-0.06430
0.00000
-0.02048
8
0.00633
0.00000
0.00318
9
0.06430
0.00000
-0.02048
10
-0.00633
0.00000
0.00318
11
-0.08200
0.00000
-0.01522
12
-0.00014
0.00000
0.04505
13
0.08200
0.00000
-0.01522
14
0.00014
0.00000
0.04504
15
-0.01763
0.00000
-0.04145
16
-0.05433
0.00000
0.06343
17
0.01763
0.00000
-0.04145
18
0.05433
0.00000
0.06342
19
-0.00627
0.00000
-0.06842
20
0.00627
0.00000
-0.06842
21
0.07332
0.00000
0.02292
22
-0.07332
0.00000
0.02292
23
-0.01679
0.00000
-0.14260
24
-0.05625
0.00000
0.11403
25
0.01679
0.00000
-0.14260
26
0.05625
0.00000
0.11403
27
-0.10048
0.00000
-0.02621
28
0.03927
0.00000
0.06928
29
0.10048
0.00000
-0.02621
30
-0.03927
0.00000
0.06928
31
0.02521
0.00000
-0.00664
32
-0.02521
0.00000
-0.00664
33
0.03928
0.00000
-0.04151
34
-0.03928
0.00000
-0.04151