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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 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
0.01287
-0.04450
0.00000
2
-0.01288
0.04450
0.00000
3
0.05564
-0.08170
0.00000
4
-0.02557
0.02634
0.00000
5
0.02557
-0.02634
0.00000
6
-0.05564
0.08169
0.00000
7
0.01348
0.01342
0.00000
8
-0.04110
0.02943
0.00000
9
0.04110
-0.02943
0.00000
10
-0.01348
-0.01342
0.00000
11
0.03309
-0.04824
0.00000
12
0.01932
0.00195
0.00000
13
-0.01932
-0.00195
0.00000
14
-0.03309
0.04824
0.00000
15
-0.04675
0.05279
0.00000
16
0.04676
-0.05279
0.00000
17
-0.05651
0.07361
0.00000
18
0.05651
-0.07361
0.00000
19
0.01155
-0.00670
0.00000
20
-0.01155
0.00670
0.00000
21
0.03196
-0.01495
0.00000
22
-0.03195
0.01495
0.00000
23
0.02942
0.12768
0.00000
24
-0.02942
-0.12768
0.00000
25
-0.09993
0.04445
0.00000
26
0.09992
-0.04445
0.00000
27
0.15344
-0.05085
0.00000
28
-0.15344
0.05085
0.00000
29
0.00392
-0.13381
0.00000
30
-0.00392
0.13381
0.00000
31
0.04536
-0.03430
0.00000
32
-0.04536
0.03430
0.00000
33
0.03911
-0.03994
0.00000
34
-0.03911
0.03993
0.00000