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)
-0.15800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00001
0.00000
-0.00039
2
0.00001
0.00000
0.00039
3
0.00000
0.00000
0.00000
4
-0.00081
0.00000
0.00131
5
0.00000
0.00000
0.00000
6
-0.00081
0.00000
-0.00131
7
0.00001
0.00000
0.00002
8
-0.01995
0.00000
-0.03264
9
0.00001
0.00000
-0.00002
10
-0.01995
0.00000
0.03264
11
0.00000
0.00000
-0.00002
12
0.02516
0.00000
-0.03931
13
-0.00001
0.00000
0.00002
14
0.02516
0.00000
0.03931
15
0.00015
0.00000
0.00005
16
0.00963
0.00000
0.00186
17
0.00015
0.00000
-0.00005
18
0.00963
0.00000
-0.00186
19
-0.00004
0.00000
0.00004
20
-0.00004
0.00000
-0.00004
21
-0.00016
0.00000
-0.00075
22
-0.00016
0.00000
0.00075
23
-0.00195
0.00000
0.00025
24
-0.09931
0.00000
-0.00364
25
-0.00194
0.00000
-0.00025
26
-0.09931
0.00000
0.00364
27
-0.00011
0.00000
0.00030
28
-0.26557
0.00000
0.43936
29
-0.00010
0.00000
-0.00028
30
-0.26557
0.00000
-0.43936
31
0.19992
0.00000
0.37171
32
0.19992
0.00000
-0.37171
33
0.00029
0.00000
-0.00048
34
0.00029
0.00000
0.00048