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)
0.13800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00008
0.00000
0.00003
2
-0.00008
0.00000
-0.00003
3
0.00001
0.00000
-0.00042
4
-0.00001
0.00000
-0.00001
5
0.00001
0.00000
0.00042
6
-0.00001
0.00000
0.00001
7
-0.00069
0.00000
-0.00103
8
0.00009
0.00000
-0.00006
9
-0.00069
0.00000
0.00103
10
0.00009
0.00000
0.00006
11
0.00162
0.00000
-0.00316
12
-0.00043
0.00000
0.00031
13
0.00162
0.00000
0.00316
14
-0.00043
0.00000
-0.00031
15
0.00857
0.00000
-0.00003
16
0.00197
0.00000
0.00019
17
0.00857
0.00000
0.00003
18
0.00197
0.00000
-0.00019
19
-0.02820
0.00000
0.05017
20
-0.02820
0.00000
-0.05017
21
-0.00013
0.00000
0.00035
22
-0.00013
0.00000
-0.00035
23
-0.09508
0.00000
0.00097
24
-0.02252
0.00000
-0.00009
25
-0.09508
0.00000
-0.00097
26
-0.02250
0.00000
0.00009
27
-0.01792
0.00000
0.03448
28
0.00300
0.00000
-0.00482
29
-0.01792
0.00000
-0.03447
30
0.00300
0.00000
0.00481
31
0.00010
0.00000
0.00021
32
0.00010
0.00000
-0.00021
33
0.33835
0.00000
-0.57447
34
0.33835
0.00000
0.57447