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)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
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)
0.14600
Eigenvectors
#
X
Y
Z
1
0.05642
0.00000
-0.02066
2
-0.05641
0.00000
-0.02066
3
0.01522
0.00000
0.01180
4
-0.00905
0.00000
-0.05405
5
-0.01522
0.00000
0.01180
6
0.00905
0.00000
-0.05405
7
0.04276
0.00000
0.03597
8
0.00026
0.00000
-0.05175
9
-0.04276
0.00000
0.03597
10
-0.00025
0.00000
-0.05174
11
0.05702
0.00000
0.01851
12
-0.00255
0.00000
-0.01642
13
-0.05703
0.00000
0.01851
14
0.00255
0.00000
-0.01641
15
0.09489
0.00000
0.00074
16
-0.05606
0.00000
0.01228
17
-0.09490
0.00000
0.00074
18
0.05606
0.00000
0.01229
19
0.00319
0.00000
0.06520
20
-0.00320
0.00000
0.06520
21
0.08020
0.00000
-0.00502
22
-0.08019
0.00000
-0.00503
23
0.09544
0.00000
-0.01163
24
-0.05709
0.00000
0.05129
25
-0.09545
0.00000
-0.01163
26
0.05709
0.00000
0.05130
27
0.03069
0.00000
0.00245
28
0.03556
0.00000
0.00663
29
-0.03070
0.00000
0.00245
30
-0.03555
0.00000
0.00664
31
0.00995
0.00000
-0.05721
32
-0.00995
0.00000
-0.05721
33
-0.02489
0.00000
0.04872
34
0.02488
0.00000
0.04872