Charge: 2
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+2
Electronic States
Energy
(eV)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 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
-0.02778
0.06270
0.00000
2
0.02778
-0.06271
0.00000
3
0.02785
-0.07778
0.00000
4
-0.02393
-0.02694
0.00000
5
0.02393
0.02695
0.00000
6
-0.02784
0.07779
0.00000
7
0.00286
-0.02280
0.00000
8
0.00101
0.05847
0.00000
9
-0.00101
-0.05847
0.00000
10
-0.00286
0.02280
0.00000
11
-0.03775
0.08767
0.00000
12
0.02837
0.00758
0.00000
13
-0.02837
-0.00758
0.00000
14
0.03775
-0.08767
0.00000
15
0.04643
0.01632
0.00000
16
-0.04643
-0.01632
0.00000
17
-0.02646
-0.04267
0.00000
18
0.02646
0.04267
0.00000
19
0.04544
-0.02454
0.00000
20
-0.04544
0.02454
0.00000
21
-0.02398
0.05008
0.00000
22
0.02398
-0.05008
0.00000
23
-0.03093
-0.04778
0.00000
24
0.03093
0.04778
0.00000
25
-0.04182
-0.05822
0.00000
26
0.04181
0.05822
0.00000
27
-0.02168
-0.00553
0.00000
28
0.02168
0.00553
0.00000
29
-0.01028
-0.10398
0.00000
30
0.01028
0.10399
0.00000
31
-0.04262
0.12873
0.00000
32
0.04261
-0.12873
0.00000
33
0.00727
-0.10984
0.00000
34
-0.00727
0.10984
0.00000