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)
-0.09000
Diff mu Y
(Debye)
-0.19000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02340
-0.08979
0.00000
2
0.02340
-0.08979
0.00000
3
0.00324
-0.05778
0.00000
4
0.00366
-0.01950
0.00000
5
0.00366
-0.01949
0.00000
6
0.00324
-0.05778
0.00000
7
0.03630
-0.02884
0.00000
8
0.05802
-0.03872
0.00000
9
0.05803
-0.03872
0.00000
10
0.03630
-0.02884
0.00000
11
-0.02155
0.01817
0.00000
12
-0.02502
0.02670
0.00000
13
-0.02502
0.02670
0.00000
14
-0.02155
0.01817
0.00000
15
-0.08262
0.06493
0.00000
16
-0.08263
0.06493
0.00000
17
0.00520
0.04194
0.00000
18
0.00520
0.04194
0.00000
19
0.01478
0.05972
0.00000
20
0.01478
0.05971
0.00000
21
-0.01458
0.01835
0.00000
22
-0.01458
0.01835
0.00000
23
-0.09318
0.05942
0.00000
24
-0.09318
0.05942
0.00000
25
0.00118
0.04162
0.00000
26
0.00118
0.04162
0.00000
27
0.04200
0.05268
0.00000
28
0.04200
0.05267
0.00000
29
-0.01711
-0.02353
0.00000
30
-0.01710
-0.02353
0.00000
31
0.07181
-0.10118
0.00000
32
0.07181
-0.10119
0.00000
33
-0.01445
0.02849
0.00000
34
-0.01445
0.02850
0.00000