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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07264
-0.02364
0.00000
2
-0.07264
0.02364
0.00000
3
0.00108
-0.00664
0.00000
4
-0.07290
0.06058
0.00000
5
0.07290
-0.06058
0.00000
6
-0.00108
0.00664
0.00000
7
-0.03497
-0.07586
0.00000
8
0.01498
0.00631
0.00000
9
-0.01498
-0.00631
0.00000
10
0.03497
0.07586
0.00000
11
0.01660
0.03602
0.00000
12
0.04503
-0.01417
0.00000
13
-0.04503
0.01417
0.00000
14
-0.01660
-0.03602
0.00000
15
-0.01518
-0.00511
0.00000
16
0.01518
0.00511
0.00000
17
0.00162
-0.00359
0.00000
18
-0.00162
0.00359
0.00000
19
0.00673
0.00139
0.00000
20
-0.00673
-0.00139
0.00000
21
0.02502
0.00625
0.00000
22
-0.02502
-0.00625
0.00000
23
-0.03531
-0.01871
0.00000
24
0.03531
0.01871
0.00000
25
-0.06591
-0.06278
0.00000
26
0.06591
0.06278
0.00000
27
-0.10139
0.04014
0.00000
28
0.10139
-0.04014
0.00000
29
-0.10317
0.30786
0.00000
30
0.10317
-0.30786
0.00000
31
0.00277
-0.08304
0.00000
32
-0.00277
0.08304
0.00000
33
-0.00704
0.20436
0.00000
34
0.00704
-0.20436
0.00000