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)
0.53300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00243
0.00000
0.02771
2
0.00243
0.00000
-0.02771
3
0.00739
0.00000
0.00044
4
-0.00614
0.00000
-0.03362
5
0.00739
0.00000
-0.00044
6
-0.00615
0.00000
0.03361
7
-0.04921
0.00000
-0.04614
8
0.00592
0.00000
0.01603
9
-0.04921
0.00000
0.04614
10
0.00592
0.00000
-0.01603
11
-0.01007
0.00000
0.00724
12
0.01251
0.00000
-0.01936
13
-0.01007
0.00000
-0.00724
14
0.01251
0.00000
0.01936
15
-0.00128
0.00000
0.00579
16
0.01490
0.00000
0.00569
17
-0.00128
0.00000
-0.00579
18
0.01490
0.00000
-0.00569
19
0.00103
0.00000
0.00592
20
0.00103
0.00000
-0.00592
21
0.00130
0.00000
-0.10411
22
0.00130
0.00000
0.10411
23
-0.00152
0.00000
0.31766
24
0.02440
0.00000
-0.26957
25
-0.00152
0.00000
-0.31767
26
0.02440
0.00000
0.26956
27
0.17735
0.00000
0.11673
28
-0.04868
0.00000
-0.05963
29
0.17737
0.00000
-0.11674
30
-0.04868
0.00000
0.05963
31
-0.06889
0.00000
0.05668
32
-0.06888
0.00000
-0.05667
33
0.16990
0.00000
0.10751
34
0.16990
0.00000
-0.10752