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)
-0.47000
Diff mu Y
(Debye)
0.38500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00240
-0.01215
0.00000
2
0.00240
-0.01215
0.00000
3
0.05872
0.01178
0.00000
4
-0.02543
0.03995
0.00000
5
-0.02543
0.03995
0.00000
6
0.05872
0.01178
0.00000
7
-0.09422
0.05344
0.00000
8
0.04461
-0.07880
0.00000
9
0.04461
-0.07880
0.00000
10
-0.09422
0.05344
0.00000
11
-0.02329
-0.02446
0.00000
12
0.00257
-0.04481
0.00000
13
0.00257
-0.04481
0.00000
14
-0.02329
-0.02446
0.00000
15
0.01452
0.03771
0.00000
16
0.01452
0.03771
0.00000
17
0.04208
0.03093
0.00000
18
0.04208
0.03093
0.00000
19
-0.03500
-0.00202
0.00000
20
-0.03500
-0.00202
0.00000
21
0.02732
-0.02936
0.00000
22
0.02732
-0.02936
0.00000
23
-0.06734
-0.03443
0.00000
24
-0.06734
-0.03443
0.00000
25
-0.08739
-0.08524
0.00000
26
-0.08739
-0.08524
0.00000
27
0.01448
-0.01730
0.00000
28
0.01448
-0.01730
0.00000
29
-0.02389
0.08146
0.00000
30
-0.02389
0.08146
0.00000
31
0.00552
0.12800
0.00000
32
0.00552
0.12800
0.00000
33
-0.01127
0.13933
0.00000
34
-0.01127
0.13933
0.00000