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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.25500
Diff mu Y
(Debye)
-0.51500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00010
0.00004
0.00000
2
-0.00010
0.00004
0.00000
3
0.00004
-0.00006
0.00000
4
-0.00032
0.00120
0.00000
5
-0.00032
0.00120
0.00000
6
0.00004
-0.00006
0.00000
7
-0.00027
0.00137
0.00000
8
0.00086
-0.00050
0.00000
9
0.00086
-0.00050
0.00000
10
-0.00027
0.00137
0.00000
11
-0.00178
-0.00120
0.00000
12
0.03240
0.00843
0.00000
13
0.03240
0.00843
0.00000
14
-0.00178
-0.00120
0.00000
15
0.01203
-0.01567
0.00000
16
0.01203
-0.01567
0.00000
17
-0.01815
0.02083
0.00000
18
-0.01815
0.02083
0.00000
19
0.00049
-0.00401
0.00000
20
0.00049
-0.00401
0.00000
21
-0.03352
-0.00694
0.00000
22
-0.03352
-0.00694
0.00000
23
-0.13933
0.15895
0.00000
24
-0.13933
0.15895
0.00000
25
0.21757
-0.24386
0.00000
26
0.21757
-0.24386
0.00000
27
0.01024
0.03810
0.00000
28
0.01024
0.03810
0.00000
29
-0.37060
-0.07758
0.00000
30
-0.37060
-0.07758
0.00000
31
-0.00793
-0.00010
0.00000
32
-0.00793
-0.00010
0.00000
33
0.38912
0.08308
0.00000
34
0.38912
0.08308
0.00000