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)
-0.02300
Diff mu Y
(Debye)
1.20200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06063
-0.07236
0.00000
2
-0.06063
-0.07236
0.00000
3
0.06520
0.07410
0.00000
4
0.05922
0.05239
0.00000
5
0.05922
0.05239
0.00000
6
0.06520
0.07410
0.00000
7
-0.04252
-0.03795
0.00000
8
-0.00466
-0.03283
0.00000
9
-0.00466
-0.03283
0.00000
10
-0.04252
-0.03795
0.00000
11
-0.02339
0.02422
0.00000
12
-0.00286
0.03810
0.00000
13
-0.00286
0.03810
0.00000
14
-0.02339
0.02422
0.00000
15
-0.00366
-0.04617
0.00000
16
-0.00366
-0.04617
0.00000
17
-0.03646
-0.04200
0.00000
18
-0.03646
-0.04200
0.00000
19
0.03811
0.00815
0.00000
20
0.03811
0.00815
0.00000
21
-0.00550
0.02644
0.00000
22
-0.00550
0.02644
0.00000
23
0.09438
0.03696
0.00000
24
0.09438
0.03696
0.00000
25
0.07627
0.06218
0.00000
26
0.07627
0.06218
0.00000
27
0.03413
0.01019
0.00000
28
0.03413
0.01019
0.00000
29
0.01320
-0.01021
0.00000
30
0.01320
-0.01021
0.00000
31
-0.00413
-0.05801
0.00000
32
-0.00413
-0.05801
0.00000
33
-0.00953
0.05289
0.00000
34
-0.00953
0.05289
0.00000