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)
-0.23800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00018
0.00000
0.00032
2
-0.00018
0.00000
-0.00032
3
-0.00003
0.00000
0.00009
4
0.00036
0.00000
-0.00118
5
-0.00003
0.00000
-0.00009
6
0.00036
0.00000
0.00118
7
-0.00007
0.00000
-0.00013
8
0.02061
0.00000
0.04067
9
-0.00007
0.00000
0.00013
10
0.02061
0.00000
-0.04067
11
0.00022
0.00000
-0.00018
12
0.01667
0.00000
-0.03128
13
0.00021
0.00000
0.00018
14
0.01667
0.00000
0.03128
15
0.00075
0.00000
-0.00013
16
0.01078
0.00000
0.00131
17
0.00075
0.00000
0.00013
18
0.01078
0.00000
-0.00131
19
0.00011
0.00000
-0.00010
20
0.00011
0.00000
0.00009
21
-0.00024
0.00000
-0.00041
22
-0.00024
0.00000
0.00041
23
-0.00847
0.00000
0.00036
24
-0.11807
0.00000
-0.00284
25
-0.00845
0.00000
-0.00036
26
-0.11807
0.00000
0.00284
27
-0.00169
0.00000
0.00293
28
-0.20886
0.00000
0.35011
29
-0.00165
0.00000
-0.00285
30
-0.20886
0.00000
-0.35011
31
-0.24521
0.00000
-0.46326
32
-0.24521
0.00000
0.46326
33
-0.00092
0.00000
0.00161
34
-0.00087
0.00000
-0.00152