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)
-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)
0.84200
Diff mu Y
(Debye)
-0.24500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.11148
-0.02529
0.00000
2
-0.11148
-0.02529
0.00000
3
-0.06028
-0.04072
0.00000
4
-0.01398
0.01455
0.00000
5
-0.01398
0.01455
0.00000
6
-0.06028
-0.04072
0.00000
7
0.00279
0.00264
0.00000
8
0.08217
0.04437
0.00000
9
0.08217
0.04437
0.00000
10
0.00279
0.00264
0.00000
11
-0.02499
0.01387
0.00000
12
0.07687
-0.01004
0.00000
13
0.07687
-0.01004
0.00000
14
-0.02499
0.01387
0.00000
15
0.01692
-0.01717
0.00000
16
0.01692
-0.01717
0.00000
17
-0.00227
-0.00142
0.00000
18
-0.00227
-0.00142
0.00000
19
-0.00371
-0.01886
0.00000
20
-0.00371
-0.01886
0.00000
21
0.03325
0.02654
0.00000
22
0.03325
0.02654
0.00000
23
-0.08654
-0.11488
0.00000
24
-0.08654
-0.11488
0.00000
25
0.03934
0.03605
0.00000
26
0.03934
0.03605
0.00000
27
-0.05462
-0.00102
0.00000
28
-0.05462
-0.00102
0.00000
29
0.06843
0.03586
0.00000
30
0.06843
0.03586
0.00000
31
0.06826
0.10539
0.00000
32
0.06826
0.10539
0.00000
33
0.02130
0.07572
0.00000
34
0.02130
0.07572
0.00000