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
0.00000
0.00000
0.00469
2
0.00000
0.00000
-0.00469
3
0.00000
0.00000
-0.00198
4
0.00000
0.00000
0.04018
5
0.00000
0.00000
-0.04018
6
0.00000
0.00000
0.00198
7
0.00000
0.00000
0.02302
8
0.00000
0.00000
-0.08981
9
0.00000
0.00000
0.08982
10
0.00000
0.00000
-0.02303
11
0.00000
0.00000
0.01148
12
0.00000
0.00000
0.00430
13
0.00000
0.00000
-0.00430
14
0.00000
0.00000
-0.01149
15
0.00000
0.00000
0.02366
16
0.00000
0.00000
-0.02365
17
0.00000
0.00000
-0.04026
18
0.00000
0.00000
0.04027
19
0.00000
0.00000
-0.01129
20
0.00000
0.00000
0.01129
21
0.00000
0.00000
0.03481
22
0.00000
0.00000
-0.03481
23
0.00000
0.00000
-0.16980
24
0.00000
0.00000
0.16978
25
0.00000
0.00000
0.21813
26
0.00000
0.00000
-0.21814
27
0.00000
0.00000
0.08501
28
0.00000
0.00000
-0.08502
29
0.00000
0.00000
0.06237
30
0.00000
0.00000
-0.06237
31
0.00000
0.00000
-0.44396
32
0.00000
0.00000
0.44391
33
0.00000
0.00000
-0.21426
34
0.00000
0.00000
0.21427