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)
0.45300
Diff mu Y
(Debye)
0.75200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01517
0.00452
0.00000
2
-0.01516
0.00453
0.00000
3
-0.02603
0.02044
0.00000
4
0.02963
-0.06479
0.00000
5
0.02963
-0.06480
0.00000
6
-0.02604
0.02045
0.00000
7
0.00173
-0.03100
0.00000
8
0.00564
0.00265
0.00000
9
0.00564
0.00265
0.00000
10
0.00172
-0.03101
0.00000
11
0.02205
-0.00332
0.00000
12
-0.01988
0.01423
0.00000
13
-0.01988
0.01423
0.00000
14
0.02205
-0.00332
0.00000
15
-0.01453
0.00346
0.00000
16
-0.01453
0.00346
0.00000
17
-0.01489
-0.00457
0.00000
18
-0.01489
-0.00457
0.00000
19
0.03065
-0.01041
0.00000
20
0.03065
-0.01041
0.00000
21
0.00235
0.02473
0.00000
22
0.00235
0.02474
0.00000
23
0.02977
0.04541
0.00000
24
0.02978
0.04542
0.00000
25
-0.18450
-0.15390
0.00000
26
-0.18450
-0.15390
0.00000
27
0.29193
-0.09575
0.00000
28
0.29194
-0.09575
0.00000
29
-0.04199
0.10530
0.00000
30
-0.04199
0.10528
0.00000
31
-0.05358
0.29615
0.00000
32
-0.05357
0.29611
0.00000
33
-0.06021
0.32738
0.00000
34
-0.06021
0.32740
0.00000