Charge: 1
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+1
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05707
0.05744
0.00000
2
0.05707
-0.05744
0.00000
3
0.04038
-0.01200
0.00000
4
-0.03318
0.07665
0.00000
5
0.03318
-0.07665
0.00000
6
-0.04038
0.01200
0.00000
7
-0.02960
0.00346
0.00000
8
0.01532
-0.07026
0.00000
9
-0.01532
0.07026
0.00000
10
0.02960
-0.00346
0.00000
11
-0.05750
-0.04396
0.00000
12
0.01889
-0.02686
0.00000
13
-0.01889
0.02686
0.00000
14
0.05750
0.04396
0.00000
15
0.03267
0.01740
0.00000
16
-0.03267
-0.01740
0.00000
17
0.04500
0.05239
0.00000
18
-0.04500
-0.05239
0.00000
19
0.00331
-0.03533
0.00000
20
-0.00331
0.03533
0.00000
21
-0.01081
0.04461
0.00000
22
0.01081
-0.04461
0.00000
23
-0.05259
-0.06155
0.00000
24
0.05259
0.06155
0.00000
25
-0.11972
-0.09179
0.00000
26
0.11972
0.09179
0.00000
27
-0.04806
-0.02297
0.00000
28
0.04806
0.02297
0.00000
29
-0.00693
-0.05369
0.00000
30
0.00693
0.05369
0.00000
31
0.02901
-0.12419
0.00000
32
-0.02901
0.12419
0.00000
33
0.00469
-0.04407
0.00000
34
-0.00469
0.04407
0.00000