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)
-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)
-0.14500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00165
2
0.00000
0.00000
-0.00165
3
0.00000
0.00000
0.00023
4
0.00000
0.00000
-0.02347
5
0.00000
0.00000
-0.02346
6
0.00000
0.00000
0.00023
7
0.00000
0.00000
-0.01961
8
0.00000
0.00000
0.03708
9
0.00000
0.00000
0.03708
10
0.00000
0.00000
-0.01961
11
0.00000
0.00000
0.02206
12
0.00000
0.00000
0.06924
13
0.00000
0.00000
0.06923
14
0.00000
0.00000
0.02206
15
0.00000
0.00000
-0.07019
16
0.00000
0.00000
-0.07019
17
0.00000
0.00000
-0.02344
18
0.00000
0.00000
-0.02344
19
0.00000
0.00000
-0.01394
20
0.00000
0.00000
-0.01394
21
0.00000
0.00000
0.03763
22
0.00000
0.00000
0.03764
23
0.00000
0.00000
0.34871
24
0.00000
0.00000
0.34875
25
0.00000
0.00000
0.11695
26
0.00000
0.00000
0.11695
27
0.00000
0.00000
0.07045
28
0.00000
0.00000
0.07047
29
0.00000
0.00000
-0.33973
30
0.00000
0.00000
-0.33978
31
0.00000
0.00000
-0.17842
32
0.00000
0.00000
-0.17843
33
0.00000
0.00000
-0.18386
34
0.00000
0.00000
-0.18387