Charge: 0
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
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)
0.25700
Diff mu Y
(Debye)
0.88300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00058
0.03138
0.00000
2
-0.00058
0.03138
0.00000
3
-0.04645
-0.05091
0.00000
4
0.03115
-0.01059
0.00000
5
0.03115
-0.01059
0.00000
6
-0.04645
-0.05091
0.00000
7
0.07378
-0.05695
0.00000
8
-0.04960
0.06870
0.00000
9
-0.04960
0.06870
0.00000
10
0.07378
-0.05694
0.00000
11
0.03425
0.05881
0.00000
12
0.00432
-0.01238
0.00000
13
0.00432
-0.01238
0.00000
14
0.03425
0.05880
0.00000
15
-0.03399
-0.02387
0.00000
16
-0.03399
-0.02387
0.00000
17
-0.01837
-0.03966
0.00000
18
-0.01838
-0.03966
0.00000
19
-0.02656
0.01612
0.00000
20
-0.02656
0.01612
0.00000
21
0.00232
0.02409
0.00000
22
0.00232
0.02409
0.00000
23
0.10384
0.10106
0.00000
24
0.10384
0.10106
0.00000
25
0.09928
0.06075
0.00000
26
0.09927
0.06074
0.00000
27
0.13861
-0.03721
0.00000
28
0.13859
-0.03721
0.00000
29
-0.01738
0.10037
0.00000
30
-0.01738
0.10036
0.00000
31
-0.00783
-0.15738
0.00000
32
-0.00783
-0.15738
0.00000
33
0.03743
-0.12392
0.00000
34
0.03742
-0.12392
0.00000