Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q+1
Electronic States
Energy
(eV)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 mu_z
(Debye)
0.00000
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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00388
-0.02827
0.00000
2
-0.00388
0.02827
0.00000
3
-0.01531
-0.05229
0.00000
4
-0.03519
-0.00119
0.00000
5
0.03519
0.00119
0.00000
6
0.01531
0.05229
0.00000
7
0.01235
-0.04214
0.00000
8
0.05803
-0.03688
0.00000
9
-0.05803
0.03688
0.00000
10
-0.01235
0.04214
0.00000
11
-0.02687
-0.02643
0.00000
12
-0.05224
0.01129
0.00000
13
0.05224
-0.01129
0.00000
14
0.02687
0.02643
0.00000
15
-0.07322
0.03125
0.00000
16
0.07322
-0.03125
0.00000
17
0.04400
-0.02348
0.00000
18
-0.04400
0.02348
0.00000
19
0.02665
0.09096
0.00000
20
-0.02665
-0.09096
0.00000
21
-0.04857
0.01306
0.00000
22
0.04857
-0.01306
0.00000
23
-0.11815
-0.00610
0.00000
24
0.11815
0.00610
0.00000
25
0.00353
-0.05925
0.00000
26
-0.00353
0.05925
0.00000
27
0.02323
0.09519
0.00000
28
-0.02323
-0.09519
0.00000
29
0.07546
-0.11991
0.00000
30
-0.07546
0.11991
0.00000
31
-0.07162
0.09668
0.00000
32
0.07162
-0.09669
0.00000
33
-0.03975
-0.02668
0.00000
34
0.03976
0.02668
0.00000