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
0.03280
0.04403
0.00000
2
-0.03280
-0.04403
0.00000
3
0.01113
0.06253
0.00000
4
0.00336
0.00063
0.00000
5
-0.00336
-0.00063
0.00000
6
-0.01113
-0.06253
0.00000
7
-0.01965
-0.00856
0.00000
8
0.03378
0.01261
0.00000
9
-0.03378
-0.01261
0.00000
10
0.01965
0.00856
0.00000
11
-0.02567
-0.01778
0.00000
12
-0.01421
-0.01202
0.00000
13
0.01421
0.01202
0.00000
14
0.02567
0.01778
0.00000
15
0.00668
-0.00694
0.00000
16
-0.00668
0.00694
0.00000
17
-0.06435
-0.02327
0.00000
18
0.06435
0.02327
0.00000
19
0.03209
0.06017
0.00000
20
-0.03209
-0.06017
0.00000
21
0.03492
-0.04206
0.00000
22
-0.03492
0.04206
0.00000
23
0.01659
-0.00024
0.00000
24
-0.01659
0.00024
0.00000
25
-0.24815
-0.17917
0.00000
26
0.24815
0.17916
0.00000
27
0.03166
0.06623
0.00000
28
-0.03166
-0.06623
0.00000
29
0.00153
0.07754
0.00000
30
-0.00153
-0.07754
0.00000
31
-0.01905
-0.09202
0.00000
32
0.01905
0.09202
0.00000
33
0.09768
-0.32221
0.00000
34
-0.09768
0.32221
0.00000