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
-0.05580
-0.05019
0.00000
2
0.05580
0.05019
0.00000
3
-0.07129
-0.05289
0.00000
4
0.02737
-0.00818
0.00000
5
-0.02737
0.00818
0.00000
6
0.07129
0.05290
0.00000
7
-0.01193
-0.03081
0.00000
8
-0.01671
-0.05960
0.00000
9
0.01671
0.05960
0.00000
10
0.01193
0.03081
0.00000
11
-0.01845
0.00113
0.00000
12
-0.03297
-0.00343
0.00000
13
0.03297
0.00343
0.00000
14
0.01845
-0.00113
0.00000
15
0.03144
-0.02953
0.00000
16
-0.03144
0.02953
0.00000
17
-0.04574
0.02826
0.00000
18
0.04574
-0.02826
0.00000
19
-0.00972
0.02185
0.00000
20
0.00972
-0.02185
0.00000
21
0.10330
0.03118
0.00000
22
-0.10330
-0.03118
0.00000
23
-0.01095
-0.07198
0.00000
24
0.01095
0.07198
0.00000
25
-0.06666
0.01512
0.00000
26
0.06666
-0.01512
0.00000
27
-0.09910
0.05579
0.00000
28
0.09910
-0.05579
0.00000
29
0.02655
0.05165
0.00000
30
-0.02655
-0.05165
0.00000
31
0.01272
0.08836
0.00000
32
-0.01272
-0.08837
0.00000
33
0.11153
0.03200
0.00000
34
-0.11153
-0.03200
0.00000