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)
-0.03600
Diff mu Y
(Debye)
0.22600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00038
-0.00002
0.00000
2
0.00038
-0.00002
0.00000
3
-0.00028
0.00030
0.00000
4
0.00069
-0.00074
0.00000
5
0.00068
-0.00073
0.00000
6
-0.00028
0.00030
0.00000
7
-0.00003
-0.00024
0.00000
8
-0.00274
-0.00051
0.00000
9
-0.00273
-0.00051
0.00000
10
-0.00003
-0.00024
0.00000
11
-0.00060
0.00033
0.00000
12
-0.04077
-0.00731
0.00000
13
-0.04066
-0.00729
0.00000
14
-0.00060
0.00034
0.00000
15
0.02421
-0.02542
0.00000
16
0.02428
-0.02549
0.00000
17
0.01407
-0.01561
0.00000
18
0.01411
-0.01566
0.00000
19
0.00001
0.00352
0.00000
20
0.00000
0.00353
0.00000
21
0.00558
0.00107
0.00000
22
0.00561
0.00108
0.00000
23
-0.27096
0.30234
0.00000
24
-0.27174
0.30321
0.00000
25
-0.15769
0.17945
0.00000
26
-0.15819
0.18001
0.00000
27
-0.01150
-0.03835
0.00000
28
-0.01153
-0.03844
0.00000
29
0.46522
0.09291
0.00000
30
0.46656
0.09318
0.00000
31
0.03088
0.00781
0.00000
32
0.03102
0.00784
0.00000
33
-0.06341
-0.01325
0.00000
34
-0.06376
-0.01332
0.00000