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)
0.34500
Diff mu Y
(Debye)
0.25400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03655
0.03894
0.00000
2
0.03655
0.03894
0.00000
3
-0.03582
0.05882
0.00000
4
0.05909
-0.02669
0.00000
5
0.05909
-0.02669
0.00000
6
-0.03582
0.05882
0.00000
7
-0.02270
-0.01843
0.00000
8
0.00777
-0.01376
0.00000
9
0.00777
-0.01376
0.00000
10
-0.02270
-0.01843
0.00000
11
-0.06076
0.06631
0.00000
12
0.03530
-0.06057
0.00000
13
0.03530
-0.06057
0.00000
14
-0.06076
0.06631
0.00000
15
-0.05332
-0.02558
0.00000
16
-0.05332
-0.02558
0.00000
17
-0.00132
0.05806
0.00000
18
-0.00132
0.05806
0.00000
19
0.02677
-0.02368
0.00000
20
0.02677
-0.02368
0.00000
21
0.00387
-0.04034
0.00000
22
0.00387
-0.04034
0.00000
23
-0.12929
-0.09457
0.00000
24
-0.12929
-0.09457
0.00000
25
0.05973
0.11172
0.00000
26
0.05973
0.11172
0.00000
27
0.07405
-0.03880
0.00000
28
0.07405
-0.03880
0.00000
29
0.04657
-0.12013
0.00000
30
0.04657
-0.12013
0.00000
31
-0.00424
0.04599
0.00000
32
-0.00424
0.04599
0.00000
33
0.00739
-0.06006
0.00000
34
0.00739
-0.06006
0.00000