Charge: 2
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+2
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)
0.10300
Eigenvectors
#
X
Y
Z
1
-0.01165
0.00000
-0.02129
2
0.01165
0.00000
-0.02130
3
-0.01133
0.00000
0.00072
4
0.00563
0.00000
-0.06095
5
0.01133
0.00000
0.00072
6
-0.00563
0.00000
-0.06094
7
-0.03290
0.00000
0.01883
8
-0.01983
0.00000
-0.09268
9
0.03290
0.00000
0.01882
10
0.01983
0.00000
-0.09268
11
-0.05272
0.00000
0.08218
12
-0.02541
0.00000
-0.03476
13
0.05272
0.00000
0.08218
14
0.02541
0.00000
-0.03476
15
-0.05564
0.00000
0.07534
16
-0.03788
0.00000
-0.00853
17
0.05564
0.00000
0.07535
18
0.03788
0.00000
-0.00853
19
-0.00294
0.00000
-0.00032
20
0.00294
0.00000
-0.00032
21
-0.02666
0.00000
0.04010
22
0.02666
0.00000
0.04010
23
-0.05708
0.00000
0.06481
24
-0.03572
0.00000
-0.05702
25
0.05708
0.00000
0.06481
26
0.03571
0.00000
-0.05702
27
-0.02218
0.00000
0.10053
28
0.02365
0.00000
-0.00694
29
0.02218
0.00000
0.10054
30
-0.02364
0.00000
-0.00694
31
-0.01127
0.00000
-0.09732
32
0.01127
0.00000
-0.09731
33
0.01672
0.00000
0.01195
34
-0.01671
0.00000
0.01195