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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01034
0.01359
0.00000
2
0.01034
-0.01359
0.00000
3
-0.05724
0.03325
0.00000
4
0.00799
-0.04007
0.00000
5
-0.00799
0.04007
0.00000
6
0.05725
-0.03325
0.00000
7
-0.05666
-0.01357
0.00000
8
-0.04409
-0.01987
0.00000
9
0.04409
0.01987
0.00000
10
0.05666
0.01357
0.00000
11
-0.04532
0.07610
0.00000
12
0.01847
-0.05970
0.00000
13
-0.01847
0.05970
0.00000
14
0.04532
-0.07610
0.00000
15
-0.04999
0.07772
0.00000
16
0.05000
-0.07772
0.00000
17
-0.00759
0.07027
0.00000
18
0.00758
-0.07027
0.00000
19
0.00764
0.01461
0.00000
20
-0.00764
-0.01461
0.00000
21
-0.03190
-0.02146
0.00000
22
0.03190
0.02146
0.00000
23
-0.06636
0.06425
0.00000
24
0.06637
-0.06425
0.00000
25
0.02304
0.09775
0.00000
26
-0.02304
-0.09776
0.00000
27
0.05494
-0.00059
0.00000
28
-0.05494
0.00059
0.00000
29
-0.01623
0.04556
0.00000
30
0.01623
-0.04555
0.00000
31
0.05197
-0.02007
0.00000
32
-0.05197
0.02007
0.00000
33
-0.02548
-0.05152
0.00000
34
0.02547
0.05153
0.00000