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
0.00000
0.00000
0.02436
2
0.00000
0.00000
-0.02436
3
0.00000
0.00000
-0.02215
4
0.00000
0.00000
0.00053
5
0.00000
0.00000
-0.00053
6
0.00000
0.00000
0.02216
7
0.00000
0.00000
-0.01566
8
0.00000
0.00000
-0.02281
9
0.00000
0.00000
0.02281
10
0.00000
0.00000
0.01566
11
0.00000
0.00000
0.00974
12
0.00000
0.00000
0.02905
13
0.00000
0.00000
-0.02905
14
0.00000
0.00000
-0.00974
15
0.00000
0.00000
-0.03415
16
0.00000
0.00000
0.03415
17
0.00000
0.00000
0.03246
18
0.00000
0.00000
-0.03246
19
0.00000
0.00000
0.03696
20
0.00000
0.00000
-0.03696
21
0.00000
0.00000
0.03834
22
0.00000
0.00000
-0.03834
23
0.00000
0.00000
0.23145
24
0.00000
0.00000
-0.23146
25
0.00000
0.00000
-0.30011
26
0.00000
0.00000
0.30013
27
0.00000
0.00000
-0.31520
28
0.00000
0.00000
0.31522
29
0.00000
0.00000
0.23318
30
0.00000
0.00000
-0.23318
31
0.00000
0.00000
-0.17335
32
0.00000
0.00000
0.17335
33
0.00000
0.00000
-0.27438
34
0.00000
0.00000
0.27439