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
0.00023
0.00004
0.00000
2
-0.00023
-0.00004
0.00000
3
-0.00020
-0.00017
0.00000
4
-0.00018
-0.00300
0.00000
5
0.00018
0.00300
0.00000
6
0.00020
0.00017
0.00000
7
-0.00114
0.00262
0.00000
8
0.05371
0.01002
0.00000
9
-0.05371
-0.01002
0.00000
10
0.00114
-0.00262
0.00000
11
0.00031
-0.00001
0.00000
12
-0.01622
-0.00258
0.00000
13
0.01622
0.00258
0.00000
14
-0.00031
0.00001
0.00000
15
-0.00763
0.00797
0.00000
16
0.00763
-0.00797
0.00000
17
-0.00132
0.00152
0.00000
18
0.00132
-0.00152
0.00000
19
0.00112
0.00093
0.00000
20
-0.00112
-0.00093
0.00000
21
-0.00936
-0.00202
0.00000
22
0.00936
0.00202
0.00000
23
0.08543
-0.09970
0.00000
24
-0.08543
0.09970
0.00000
25
0.01338
-0.01642
0.00000
26
-0.01338
0.01642
0.00000
27
-0.00656
-0.01585
0.00000
28
0.00656
0.01585
0.00000
29
-0.18651
-0.03425
0.00000
30
0.18651
0.03425
0.00000
31
0.61339
0.11198
0.00000
32
-0.61339
-0.11198
0.00000
33
0.10670
0.02076
0.00000
34
-0.10670
-0.02076
0.00000