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)
-0.37000
Diff mu Y
(Debye)
0.95000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01847
0.07556
0.00000
2
0.01846
0.07558
0.00000
3
-0.02458
-0.06614
0.00000
4
0.02112
-0.03658
0.00000
5
0.02108
-0.03659
0.00000
6
-0.02465
-0.06612
0.00000
7
-0.05893
0.03578
0.00000
8
0.01905
0.00072
0.00000
9
0.01906
0.00074
0.00000
10
-0.05890
0.03581
0.00000
11
0.06540
-0.05130
0.00000
12
-0.01516
-0.02396
0.00000
13
-0.01516
-0.02400
0.00000
14
0.06544
-0.05137
0.00000
15
-0.01926
0.04219
0.00000
16
-0.01929
0.04217
0.00000
17
0.01429
0.04193
0.00000
18
0.01436
0.04199
0.00000
19
-0.02638
-0.02734
0.00000
20
-0.02645
-0.02732
0.00000
21
0.02000
0.01905
0.00000
22
0.02003
0.01896
0.00000
23
-0.19800
-0.10798
0.00000
24
-0.19807
-0.10804
0.00000
25
-0.00788
0.02177
0.00000
26
-0.00798
0.02169
0.00000
27
0.01819
-0.04591
0.00000
28
0.01809
-0.04588
0.00000
29
-0.05988
0.17269
0.00000
30
-0.05987
0.17269
0.00000
31
0.05605
-0.15616
0.00000
32
0.05607
-0.15629
0.00000
33
0.02494
-0.00204
0.00000
34
0.02491
-0.00184
0.00000