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
-0.04028
0.02290
0.00000
2
0.04027
-0.02290
0.00000
3
0.02824
0.04939
0.00000
4
0.06939
0.06308
0.00000
5
-0.06938
-0.06307
0.00000
6
-0.02824
-0.04939
0.00000
7
0.05558
-0.02911
0.00000
8
-0.05910
-0.03756
0.00000
9
0.05909
0.03756
0.00000
10
-0.05558
0.02910
0.00000
11
-0.05448
-0.04355
0.00000
12
-0.04424
0.02648
0.00000
13
0.04424
-0.02648
0.00000
14
0.05448
0.04354
0.00000
15
-0.00206
0.01860
0.00000
16
0.00206
-0.01861
0.00000
17
0.00606
-0.00485
0.00000
18
-0.00606
0.00485
0.00000
19
-0.00768
0.03841
0.00000
20
0.00768
-0.03841
0.00000
21
-0.00347
-0.03083
0.00000
22
0.00347
0.03083
0.00000
23
0.17671
0.17606
0.00000
24
-0.17672
-0.17607
0.00000
25
0.07071
0.05502
0.00000
26
-0.07070
-0.05502
0.00000
27
0.04148
0.02668
0.00000
28
-0.04149
-0.02668
0.00000
29
0.04071
0.00380
0.00000
30
-0.04070
-0.00382
0.00000
31
0.09297
-0.08387
0.00000
32
-0.09297
0.08386
0.00000
33
-0.02594
0.08473
0.00000
34
0.02594
-0.08470
0.00000