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
-0.00008
-0.00002
0.00000
2
0.00008
0.00002
0.00000
3
0.00042
0.00047
0.00000
4
0.00011
0.00016
0.00000
5
-0.00011
-0.00016
0.00000
6
-0.00042
-0.00047
0.00000
7
0.00029
0.00133
0.00000
8
-0.00517
-0.00123
0.00000
9
0.00517
0.00123
0.00000
10
-0.00029
-0.00133
0.00000
11
0.00054
0.00093
0.00000
12
-0.00237
-0.00039
0.00000
13
0.00237
0.00039
0.00000
14
-0.00054
-0.00093
0.00000
15
-0.00352
0.00373
0.00000
16
0.00352
-0.00372
0.00000
17
0.02156
-0.02440
0.00000
18
-0.02155
0.02439
0.00000
19
0.00507
0.01388
0.00000
20
-0.00507
-0.01387
0.00000
21
-0.04547
-0.00975
0.00000
22
0.04544
0.00974
0.00000
23
0.03788
-0.04393
0.00000
24
-0.03784
0.04389
0.00000
25
-0.24453
0.27569
0.00000
26
0.24437
-0.27551
0.00000
27
-0.05748
-0.17317
0.00000
28
0.05743
0.17304
0.00000
29
-0.02830
-0.00552
0.00000
30
0.02825
0.00551
0.00000
31
-0.06011
-0.01107
0.00000
32
0.06015
0.01107
0.00000
33
0.51548
0.10960
0.00000
34
-0.51505
-0.10951
0.00000