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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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
0.06826
-0.01619
0.00000
2
-0.06826
0.01619
0.00000
3
0.00749
0.00738
0.00000
4
-0.06625
0.06658
0.00000
5
0.06625
-0.06658
0.00000
6
-0.00749
-0.00738
0.00000
7
-0.02749
-0.08144
0.00000
8
0.00990
0.01043
0.00000
9
-0.00990
-0.01043
0.00000
10
0.02749
0.08144
0.00000
11
0.00246
0.02253
0.00000
12
0.03657
-0.00442
0.00000
13
-0.03657
0.00442
0.00000
14
-0.00246
-0.02253
0.00000
15
-0.02067
-0.00077
0.00000
16
0.02067
0.00077
0.00000
17
0.00363
-0.00240
0.00000
18
-0.00363
0.00240
0.00000
19
0.00621
0.01045
0.00000
20
-0.00621
-0.01045
0.00000
21
0.02391
-0.00499
0.00000
22
-0.02391
0.00499
0.00000
23
0.02750
0.04867
0.00000
24
-0.02750
-0.04867
0.00000
25
-0.03730
-0.03795
0.00000
26
0.03730
0.03795
0.00000
27
-0.10627
0.04983
0.00000
28
0.10627
-0.04983
0.00000
29
-0.10986
0.33948
0.00000
30
0.10986
-0.33948
0.00000
31
0.01104
-0.07817
0.00000
32
-0.01104
0.07817
0.00000
33
-0.01995
0.22494
0.00000
34
0.01995
-0.22494
0.00000