Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/q+1
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.26400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06141
0.00000
-0.03685
2
0.06141
0.00000
0.03685
3
-0.02013
0.00000
0.06768
4
-0.04992
0.00000
0.00523
5
-0.02012
0.00000
-0.06768
6
-0.04992
0.00000
-0.00523
7
0.01175
0.00000
-0.05903
8
0.09209
0.00000
-0.02826
9
0.01175
0.00000
0.05903
10
0.09210
0.00000
0.02826
11
-0.00026
0.00000
0.01423
12
-0.08134
0.00000
-0.01745
13
-0.00026
0.00000
-0.01423
14
-0.08134
0.00000
0.01745
15
0.00820
0.00000
-0.00442
16
0.03716
0.00000
-0.00522
17
0.00820
0.00000
0.00442
18
0.03716
0.00000
0.00523
19
0.00771
0.00000
0.02393
20
0.00771
0.00000
-0.02393
21
-0.06222
0.00000
-0.00936
22
-0.06222
0.00000
0.00936
23
0.00656
0.00000
-0.02891
24
0.03903
0.00000
0.02853
25
0.00656
0.00000
0.02891
26
0.03903
0.00000
-0.02853
27
-0.04344
0.00000
-0.01114
28
0.07185
0.00000
0.07600
29
-0.04344
0.00000
0.01114
30
0.07184
0.00000
-0.07600
31
-0.10956
0.00000
0.07881
32
-0.10957
0.00000
-0.07881
33
-0.01763
0.00000
0.00893
34
-0.01763
0.00000
-0.00893