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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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)
-1.54800
Diff mu Y
(Debye)
0.85500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00006
-0.00015
0.00000
2
0.00006
-0.00015
0.00000
3
0.00019
-0.00014
0.00000
4
-0.00046
0.00051
0.00000
5
-0.00046
0.00051
0.00000
6
0.00019
-0.00014
0.00000
7
-0.00013
0.00015
0.00000
8
0.01867
0.00279
0.00000
9
0.01867
0.00279
0.00000
10
-0.00013
0.00015
0.00000
11
-0.00061
-0.00003
0.00000
12
0.02632
0.00678
0.00000
13
0.02632
0.00678
0.00000
14
-0.00061
-0.00003
0.00000
15
0.02191
-0.02914
0.00000
16
0.02191
-0.02914
0.00000
17
0.01942
-0.02131
0.00000
18
0.01942
-0.02131
0.00000
19
-0.00268
-0.00521
0.00000
20
-0.00268
-0.00521
0.00000
21
0.01230
0.00186
0.00000
22
0.01230
0.00186
0.00000
23
-0.26636
0.31702
0.00000
24
-0.26636
0.31702
0.00000
25
-0.21755
0.25734
0.00000
26
-0.21755
0.25734
0.00000
27
0.02333
0.05898
0.00000
28
0.02333
0.05898
0.00000
29
-0.29983
-0.05511
0.00000
30
-0.29983
-0.05511
0.00000
31
-0.22314
-0.03316
0.00000
32
-0.22314
-0.03316
0.00000
33
-0.14746
-0.02236
0.00000
34
-0.14746
-0.02236
0.00000