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)
0.11300
Eigenvectors
#
X
Y
Z
1
0.11162
0.00000
-0.01423
2
-0.11162
0.00000
-0.01423
3
0.02879
0.00000
0.03987
4
-0.03963
0.00000
-0.05971
5
-0.02879
0.00000
0.03987
6
0.03963
0.00000
-0.05971
7
0.01665
0.00000
-0.01208
8
0.00021
0.00000
0.04754
9
-0.01665
0.00000
-0.01208
10
-0.00021
0.00000
0.04754
11
0.01750
0.00000
0.00168
12
-0.01538
0.00000
-0.00249
13
-0.01750
0.00000
0.00168
14
0.01538
0.00000
-0.00249
15
-0.08271
0.00000
0.02311
16
0.05337
0.00000
-0.02511
17
0.08271
0.00000
0.02311
18
-0.05337
0.00000
-0.02511
19
-0.00008
0.00000
0.00126
20
0.00008
0.00000
0.00126
21
0.03111
0.00000
-0.00146
22
-0.03111
0.00000
-0.00146
23
-0.08824
0.00000
0.03480
24
0.05712
0.00000
-0.03453
25
0.08824
0.00000
0.03479
26
-0.05712
0.00000
-0.03453
27
0.14635
0.00000
0.07839
28
-0.15784
0.00000
-0.08809
29
-0.14635
0.00000
0.07839
30
0.15784
0.00000
-0.08809
31
0.01969
0.00000
0.03911
32
-0.01969
0.00000
0.03911
33
-0.01935
0.00000
-0.01047
34
0.01935
0.00000
-0.01047