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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.38500
Eigenvectors
#
X
Y
Z
1
0.02753
0.00000
0.01031
2
-0.02753
0.00000
0.01032
3
-0.06600
0.00000
-0.02509
4
0.05426
0.00000
0.01186
5
0.06600
0.00000
-0.02510
6
-0.05426
0.00000
0.01186
7
-0.03529
0.00000
0.01453
8
0.04463
0.00000
0.00088
9
0.03529
0.00000
0.01453
10
-0.04463
0.00000
0.00088
11
0.05341
0.00000
-0.01729
12
-0.07884
0.00000
-0.00855
13
-0.05341
0.00000
-0.01729
14
0.07884
0.00000
-0.00855
15
-0.02267
0.00000
0.07074
16
0.02912
0.00000
-0.03210
17
0.02267
0.00000
0.07074
18
-0.02912
0.00000
-0.03210
19
-0.00262
0.00000
-0.00056
20
0.00262
0.00000
-0.00057
21
0.03103
0.00000
-0.02106
22
-0.03103
0.00000
-0.02106
23
-0.02865
0.00000
-0.21374
24
0.03104
0.00000
0.13863
25
0.02865
0.00000
-0.21374
26
-0.03104
0.00000
0.13864
27
-0.09615
0.00000
-0.11269
28
0.15044
0.00000
0.13683
29
0.09615
0.00000
-0.11269
30
-0.15044
0.00000
0.13682
31
0.02598
0.00000
0.01683
32
-0.02598
0.00000
0.01683
33
-0.01864
0.00000
-0.00942
34
0.01864
0.00000
-0.00942