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)
0.95600
Diff mu Y
(Debye)
1.48900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04847
0.02269
0.00000
2
0.04847
0.02269
0.00000
3
0.01059
0.01954
0.00000
4
-0.07802
-0.06821
0.00000
5
-0.07802
-0.06821
0.00000
6
0.01059
0.01954
0.00000
7
-0.04569
-0.05216
0.00000
8
0.02175
0.06559
0.00000
9
0.02175
0.06559
0.00000
10
-0.04569
-0.05216
0.00000
11
0.02950
-0.01234
0.00000
12
0.01770
0.05260
0.00000
13
0.01769
0.05260
0.00000
14
0.02950
-0.01234
0.00000
15
-0.01882
-0.02344
0.00000
16
-0.01882
-0.02345
0.00000
17
-0.04248
-0.00482
0.00000
18
-0.04248
-0.00481
0.00000
19
0.05241
-0.00676
0.00000
20
0.05242
-0.00677
0.00000
21
-0.00300
0.01708
0.00000
22
-0.00300
0.01708
0.00000
23
0.01788
0.00508
0.00000
24
0.01789
0.00509
0.00000
25
0.04751
0.08111
0.00000
26
0.04751
0.08110
0.00000
27
-0.09314
0.04411
0.00000
28
-0.09315
0.04411
0.00000
29
0.07232
-0.20263
0.00000
30
0.07232
-0.20262
0.00000
31
0.06454
-0.13237
0.00000
32
0.06454
-0.13237
0.00000
33
-0.01885
0.08844
0.00000
34
-0.01885
0.08844
0.00000