Charge: 2
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+2
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
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)
-0.18700
Eigenvectors
#
X
Y
Z
1
0.00029
0.00000
-0.00005
2
-0.00029
0.00000
-0.00005
3
0.00001
0.00000
0.00025
4
0.00006
0.00000
-0.00009
5
-0.00001
0.00000
0.00025
6
-0.00006
0.00000
-0.00009
7
0.00247
0.00000
0.00159
8
-0.00078
0.00000
-0.00194
9
-0.00247
0.00000
0.00159
10
0.00078
0.00000
-0.00194
11
-0.01092
0.00000
0.02309
12
-0.00383
0.00000
0.00688
13
0.01092
0.00000
0.02308
14
0.00383
0.00000
0.00688
15
-0.03061
0.00000
-0.00168
16
-0.00208
0.00000
-0.00024
17
0.03061
0.00000
-0.00168
18
0.00209
0.00000
-0.00024
19
0.02436
0.00000
-0.03769
20
-0.02436
0.00000
-0.03769
21
0.00009
0.00000
-0.00122
22
-0.00009
0.00000
-0.00122
23
0.33988
0.00000
0.00117
24
0.02166
0.00000
0.00172
25
-0.33982
0.00000
0.00117
26
-0.02170
0.00000
0.00172
27
0.13403
0.00000
-0.24717
28
0.04494
0.00000
-0.07651
29
-0.13400
0.00000
-0.24712
30
-0.04497
0.00000
-0.07656
31
0.01199
0.00000
0.02329
32
-0.01201
0.00000
0.02332
33
-0.25310
0.00000
0.42963
34
0.25310
0.00000
0.42964